USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 657 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 Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00302 K(o=-0.003,f=0.88) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 120:sc= -2.49! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 55:sc= 0.667 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot -150:sc= -0.136 USER MOD Single : A 74 CYS SG : rot 180:sc= -1.65! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0794) USER MOD Single : A 102 MET CE :methyl 177:sc= -0.0553 (180deg=-0.0791) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -11.219 18.811 0.917 1.00 0.00 N ATOM 2 CA LYS A 29 -11.453 17.910 -0.246 1.00 0.00 C ATOM 3 C LYS A 29 -10.384 16.815 -0.266 1.00 0.00 C ATOM 4 O LYS A 29 -9.573 16.742 -1.168 1.00 0.00 O ATOM 5 CB LYS A 29 -11.377 18.720 -1.542 1.00 0.00 C ATOM 6 CG LYS A 29 -12.415 19.844 -1.504 1.00 0.00 C ATOM 7 CD LYS A 29 -12.369 20.627 -2.817 1.00 0.00 C ATOM 8 CE LYS A 29 -13.450 21.709 -2.804 1.00 0.00 C ATOM 9 NZ LYS A 29 -13.528 22.349 -4.148 1.00 0.00 N ATOM 0 HA LYS A 29 -12.439 17.454 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.378 19.138 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.559 18.072 -2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.411 19.428 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.215 20.510 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.387 21.081 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.524 19.954 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.413 21.272 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.221 22.458 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.263 23.085 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.610 22.779 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.765 21.630 -4.861 1.00 0.00 H new ATOM 22 N GLY A 30 -10.377 15.962 0.722 1.00 0.00 N ATOM 23 CA GLY A 30 -9.360 14.873 0.758 1.00 0.00 C ATOM 24 C GLY A 30 -9.510 14.077 2.055 1.00 0.00 C ATOM 25 O GLY A 30 -8.649 14.100 2.912 1.00 0.00 O ATOM 0 H GLY A 30 -11.031 15.972 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.486 14.215 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.357 15.295 0.692 1.00 0.00 H new ATOM 29 N ASP A 31 -10.598 13.372 2.207 1.00 0.00 N ATOM 30 CA ASP A 31 -10.802 12.574 3.449 1.00 0.00 C ATOM 31 C ASP A 31 -10.326 11.139 3.218 1.00 0.00 C ATOM 32 O ASP A 31 -11.006 10.188 3.551 1.00 0.00 O ATOM 33 CB ASP A 31 -12.288 12.567 3.813 1.00 0.00 C ATOM 34 CG ASP A 31 -12.446 12.317 5.314 1.00 0.00 C ATOM 35 OD1 ASP A 31 -11.527 12.640 6.048 1.00 0.00 O ATOM 36 OD2 ASP A 31 -13.484 11.808 5.703 1.00 0.00 O ATOM 0 H ASP A 31 -11.354 13.314 1.525 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.231 13.019 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.744 13.519 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.808 11.793 3.248 1.00 0.00 H new ATOM 41 N GLY A 32 -9.164 10.973 2.649 1.00 0.00 N ATOM 42 CA GLY A 32 -8.647 9.598 2.396 1.00 0.00 C ATOM 43 C GLY A 32 -7.179 9.674 1.971 1.00 0.00 C ATOM 44 O GLY A 32 -6.862 10.084 0.873 1.00 0.00 O ATOM 0 H GLY A 32 -8.550 11.730 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.745 8.990 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.237 9.114 1.618 1.00 0.00 H new ATOM 48 N VAL A 33 -6.281 9.281 2.833 1.00 0.00 N ATOM 49 CA VAL A 33 -4.835 9.331 2.477 1.00 0.00 C ATOM 50 C VAL A 33 -4.233 7.929 2.595 1.00 0.00 C ATOM 51 O VAL A 33 -4.605 7.154 3.453 1.00 0.00 O ATOM 52 CB VAL A 33 -4.108 10.280 3.430 1.00 0.00 C ATOM 53 CG1 VAL A 33 -4.737 11.672 3.345 1.00 0.00 C ATOM 54 CG2 VAL A 33 -4.229 9.755 4.863 1.00 0.00 C ATOM 0 H VAL A 33 -6.486 8.928 3.768 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.724 9.689 1.454 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.056 10.339 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.218 12.348 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.653 12.048 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.789 11.614 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.711 10.431 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.281 9.696 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.781 8.763 4.926 1.00 0.00 H new ATOM 64 N VAL A 34 -3.305 7.598 1.740 1.00 0.00 N ATOM 65 CA VAL A 34 -2.680 6.247 1.804 1.00 0.00 C ATOM 66 C VAL A 34 -1.176 6.391 2.042 1.00 0.00 C ATOM 67 O VAL A 34 -0.508 7.179 1.401 1.00 0.00 O ATOM 68 CB VAL A 34 -2.919 5.512 0.484 1.00 0.00 C ATOM 69 CG1 VAL A 34 -2.137 4.197 0.483 1.00 0.00 C ATOM 70 CG2 VAL A 34 -4.412 5.216 0.329 1.00 0.00 C ATOM 0 H VAL A 34 -2.952 8.205 1.000 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.124 5.680 2.622 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.583 6.135 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.307 3.673 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.073 4.406 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.473 3.573 1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.583 4.692 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.747 4.593 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.971 6.152 0.330 1.00 0.00 H new ATOM 80 N ARG A 35 -0.636 5.637 2.960 1.00 0.00 N ATOM 81 CA ARG A 35 0.825 5.731 3.238 1.00 0.00 C ATOM 82 C ARG A 35 1.526 4.477 2.712 1.00 0.00 C ATOM 83 O ARG A 35 1.545 3.448 3.357 1.00 0.00 O ATOM 84 CB ARG A 35 1.050 5.846 4.747 1.00 0.00 C ATOM 85 CG ARG A 35 1.618 7.229 5.075 1.00 0.00 C ATOM 86 CD ARG A 35 1.418 7.523 6.563 1.00 0.00 C ATOM 87 NE ARG A 35 1.772 8.944 6.840 1.00 0.00 N ATOM 88 CZ ARG A 35 1.905 9.355 8.071 1.00 0.00 C ATOM 89 NH1 ARG A 35 2.738 8.752 8.874 1.00 0.00 N ATOM 90 NH2 ARG A 35 1.205 10.370 8.500 1.00 0.00 N ATOM 0 H ARG A 35 -1.143 4.960 3.530 1.00 0.00 H new ATOM 0 HA ARG A 35 1.234 6.611 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.111 5.692 5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.738 5.070 5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.678 7.267 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.121 7.990 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.383 7.333 6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.040 6.858 7.163 1.00 0.00 H new ATOM 0 HE ARG A 35 1.910 9.595 6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.285 7.959 8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.842 9.074 9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.554 10.842 7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.309 10.691 9.463 1.00 0.00 H new ATOM 104 N ILE A 36 2.104 4.555 1.544 1.00 0.00 N ATOM 105 CA ILE A 36 2.803 3.367 0.978 1.00 0.00 C ATOM 106 C ILE A 36 4.306 3.490 1.236 1.00 0.00 C ATOM 107 O ILE A 36 4.862 4.571 1.224 1.00 0.00 O ATOM 108 CB ILE A 36 2.548 3.295 -0.528 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.072 2.978 -0.780 1.00 0.00 C ATOM 110 CG2 ILE A 36 3.416 2.195 -1.141 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.495 3.986 -1.775 1.00 0.00 C ATOM 0 H ILE A 36 2.122 5.390 0.958 1.00 0.00 H new ATOM 0 HA ILE A 36 2.425 2.462 1.454 1.00 0.00 H new ATOM 0 HB ILE A 36 2.799 4.252 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.968 1.966 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.516 3.017 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.234 2.144 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.468 2.419 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.166 1.237 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.556 3.760 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.585 4.993 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.044 3.925 -2.714 1.00 0.00 H new ATOM 123 N GLN A 37 4.969 2.390 1.469 1.00 0.00 N ATOM 124 CA GLN A 37 6.436 2.445 1.727 1.00 0.00 C ATOM 125 C GLN A 37 6.967 1.029 1.955 1.00 0.00 C ATOM 126 O GLN A 37 6.518 0.321 2.835 1.00 0.00 O ATOM 127 CB GLN A 37 6.704 3.296 2.970 1.00 0.00 C ATOM 128 CG GLN A 37 5.945 2.712 4.163 1.00 0.00 C ATOM 129 CD GLN A 37 6.936 2.345 5.269 1.00 0.00 C ATOM 130 OE1 GLN A 37 7.497 1.267 5.265 1.00 0.00 O ATOM 131 NE2 GLN A 37 7.177 3.202 6.223 1.00 0.00 N ATOM 0 H GLN A 37 4.559 1.456 1.492 1.00 0.00 H new ATOM 0 HA GLN A 37 6.939 2.888 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.773 3.321 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.390 4.325 2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.220 3.435 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.385 1.829 3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.706 4.107 6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.836 2.967 6.965 1.00 0.00 H new ATOM 140 N ARG A 38 7.920 0.609 1.169 1.00 0.00 N ATOM 141 CA ARG A 38 8.479 -0.762 1.341 1.00 0.00 C ATOM 142 C ARG A 38 9.791 -0.683 2.124 1.00 0.00 C ATOM 143 O ARG A 38 10.652 0.123 1.830 1.00 0.00 O ATOM 144 CB ARG A 38 8.740 -1.383 -0.033 1.00 0.00 C ATOM 145 CG ARG A 38 9.727 -0.509 -0.809 1.00 0.00 C ATOM 146 CD ARG A 38 11.038 -1.271 -1.008 1.00 0.00 C ATOM 147 NE ARG A 38 11.960 -0.462 -1.855 1.00 0.00 N ATOM 148 CZ ARG A 38 12.928 0.215 -1.301 1.00 0.00 C ATOM 149 NH1 ARG A 38 14.095 -0.343 -1.122 1.00 0.00 N ATOM 150 NH2 ARG A 38 12.731 1.449 -0.927 1.00 0.00 N ATOM 0 H ARG A 38 8.336 1.156 0.415 1.00 0.00 H new ATOM 0 HA ARG A 38 7.766 -1.379 1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.142 -2.390 0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.805 -1.474 -0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.304 -0.234 -1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.912 0.418 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.501 -1.478 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.843 -2.234 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 38 11.834 -0.438 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.249 -1.308 -1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.852 0.186 -0.689 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.820 1.885 -1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.488 1.978 -0.494 1.00 0.00 H new ATOM 164 N GLN A 39 9.951 -1.513 3.118 1.00 0.00 N ATOM 165 CA GLN A 39 11.208 -1.485 3.917 1.00 0.00 C ATOM 166 C GLN A 39 11.884 -2.856 3.854 1.00 0.00 C ATOM 167 O GLN A 39 11.232 -3.875 3.739 1.00 0.00 O ATOM 168 CB GLN A 39 10.879 -1.145 5.372 1.00 0.00 C ATOM 169 CG GLN A 39 9.909 -2.186 5.934 1.00 0.00 C ATOM 170 CD GLN A 39 10.068 -2.264 7.453 1.00 0.00 C ATOM 171 OE1 GLN A 39 11.028 -2.821 7.948 1.00 0.00 O ATOM 172 NE2 GLN A 39 9.159 -1.727 8.221 1.00 0.00 N ATOM 0 H GLN A 39 9.266 -2.209 3.411 1.00 0.00 H new ATOM 0 HA GLN A 39 11.881 -0.730 3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.792 -1.125 5.967 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.437 -0.151 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.884 -1.919 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.105 -3.160 5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.353 -1.259 7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.255 -1.775 9.235 1.00 0.00 H new ATOM 181 N THR A 40 13.186 -2.890 3.929 1.00 0.00 N ATOM 182 CA THR A 40 13.902 -4.196 3.873 1.00 0.00 C ATOM 183 C THR A 40 13.983 -4.793 5.279 1.00 0.00 C ATOM 184 O THR A 40 14.152 -4.089 6.254 1.00 0.00 O ATOM 185 CB THR A 40 15.316 -3.980 3.328 1.00 0.00 C ATOM 186 OG1 THR A 40 15.894 -2.844 3.955 1.00 0.00 O ATOM 187 CG2 THR A 40 15.253 -3.755 1.816 1.00 0.00 C ATOM 0 H THR A 40 13.785 -2.070 4.027 1.00 0.00 H new ATOM 0 HA THR A 40 13.361 -4.879 3.218 1.00 0.00 H new ATOM 0 HB THR A 40 15.925 -4.860 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.800 -2.705 3.609 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.260 -3.601 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 40 14.809 -4.627 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.645 -2.876 1.604 1.00 0.00 H new ATOM 195 N SER A 41 13.864 -6.088 5.392 1.00 0.00 N ATOM 196 CA SER A 41 13.934 -6.729 6.735 1.00 0.00 C ATOM 197 C SER A 41 15.307 -7.379 6.918 1.00 0.00 C ATOM 198 O SER A 41 16.030 -7.075 7.846 1.00 0.00 O ATOM 199 CB SER A 41 12.845 -7.796 6.849 1.00 0.00 C ATOM 200 OG SER A 41 11.652 -7.198 7.337 1.00 0.00 O ATOM 0 H SER A 41 13.721 -6.729 4.612 1.00 0.00 H new ATOM 0 HA SER A 41 13.783 -5.974 7.506 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.665 -8.254 5.876 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.168 -8.592 7.521 1.00 0.00 H new ATOM 0 HG SER A 41 10.951 -7.879 7.410 1.00 0.00 H new ATOM 206 N GLY A 42 15.672 -8.274 6.041 1.00 0.00 N ATOM 207 CA GLY A 42 16.997 -8.943 6.166 1.00 0.00 C ATOM 208 C GLY A 42 16.794 -10.427 6.477 1.00 0.00 C ATOM 209 O GLY A 42 17.676 -11.239 6.279 1.00 0.00 O ATOM 0 H GLY A 42 15.110 -8.571 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.562 -8.829 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.581 -8.472 6.957 1.00 0.00 H new ATOM 213 N ARG A 43 15.638 -10.788 6.963 1.00 0.00 N ATOM 214 CA ARG A 43 15.380 -12.220 7.286 1.00 0.00 C ATOM 215 C ARG A 43 14.464 -12.825 6.220 1.00 0.00 C ATOM 216 O ARG A 43 14.901 -13.560 5.357 1.00 0.00 O ATOM 217 CB ARG A 43 14.705 -12.320 8.655 1.00 0.00 C ATOM 218 CG ARG A 43 15.753 -12.661 9.717 1.00 0.00 C ATOM 219 CD ARG A 43 15.080 -12.749 11.088 1.00 0.00 C ATOM 220 NE ARG A 43 16.097 -13.105 12.118 1.00 0.00 N ATOM 221 CZ ARG A 43 15.741 -13.247 13.365 1.00 0.00 C ATOM 222 NH1 ARG A 43 14.638 -12.696 13.795 1.00 0.00 N ATOM 223 NH2 ARG A 43 16.487 -13.938 14.183 1.00 0.00 N ATOM 0 H ARG A 43 14.861 -10.154 7.150 1.00 0.00 H new ATOM 0 HA ARG A 43 16.324 -12.765 7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.216 -11.377 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.930 -13.086 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 43 16.236 -13.608 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.533 -11.900 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.612 -11.797 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.288 -13.498 11.069 1.00 0.00 H new ATOM 0 HE ARG A 43 17.072 -13.238 11.848 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.055 -12.155 13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.359 -12.807 14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.349 -14.368 13.848 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.208 -14.048 15.158 1.00 0.00 H new ATOM 237 N LYS A 44 13.195 -12.524 6.274 1.00 0.00 N ATOM 238 CA LYS A 44 12.254 -13.083 5.264 1.00 0.00 C ATOM 239 C LYS A 44 11.521 -11.938 4.561 1.00 0.00 C ATOM 240 O LYS A 44 10.553 -11.405 5.067 1.00 0.00 O ATOM 241 CB LYS A 44 11.236 -13.989 5.961 1.00 0.00 C ATOM 242 CG LYS A 44 11.857 -15.367 6.196 1.00 0.00 C ATOM 243 CD LYS A 44 10.911 -16.215 7.049 1.00 0.00 C ATOM 244 CE LYS A 44 11.713 -17.282 7.796 1.00 0.00 C ATOM 245 NZ LYS A 44 10.788 -18.333 8.306 1.00 0.00 N ATOM 0 H LYS A 44 12.770 -11.915 6.974 1.00 0.00 H new ATOM 0 HA LYS A 44 12.812 -13.663 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.931 -13.549 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.338 -14.082 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.045 -15.860 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.820 -15.263 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.379 -15.582 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.159 -16.687 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.454 -17.726 7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.258 -16.829 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.333 -19.059 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.097 -17.903 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.287 -18.772 7.507 1.00 0.00 H new ATOM 259 N GLY A 45 11.974 -11.557 3.399 1.00 0.00 N ATOM 260 CA GLY A 45 11.303 -10.446 2.665 1.00 0.00 C ATOM 261 C GLY A 45 12.318 -9.745 1.761 1.00 0.00 C ATOM 262 O GLY A 45 12.143 -9.663 0.561 1.00 0.00 O ATOM 0 H GLY A 45 12.779 -11.966 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.478 -10.836 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.877 -9.734 3.372 1.00 0.00 H new ATOM 266 N LYS A 46 13.379 -9.237 2.326 1.00 0.00 N ATOM 267 CA LYS A 46 14.404 -8.542 1.499 1.00 0.00 C ATOM 268 C LYS A 46 13.738 -7.426 0.691 1.00 0.00 C ATOM 269 O LYS A 46 14.157 -7.104 -0.403 1.00 0.00 O ATOM 270 CB LYS A 46 15.054 -9.545 0.543 1.00 0.00 C ATOM 271 CG LYS A 46 15.563 -10.750 1.336 1.00 0.00 C ATOM 272 CD LYS A 46 15.959 -11.868 0.369 1.00 0.00 C ATOM 273 CE LYS A 46 16.360 -13.112 1.164 1.00 0.00 C ATOM 274 NZ LYS A 46 17.624 -13.672 0.607 1.00 0.00 N ATOM 0 H LYS A 46 13.580 -9.274 3.325 1.00 0.00 H new ATOM 0 HA LYS A 46 15.166 -8.114 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.332 -9.868 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.879 -9.073 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.419 -10.462 1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.790 -11.102 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.127 -12.101 -0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.788 -11.543 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.495 -12.857 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.567 -13.858 1.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.897 -14.518 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.480 -13.930 -0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.379 -12.960 0.675 1.00 0.00 H new ATOM 288 N GLY A 47 12.703 -6.833 1.222 1.00 0.00 N ATOM 289 CA GLY A 47 12.012 -5.739 0.483 1.00 0.00 C ATOM 290 C GLY A 47 10.516 -6.043 0.399 1.00 0.00 C ATOM 291 O GLY A 47 10.035 -6.579 -0.580 1.00 0.00 O ATOM 0 H GLY A 47 12.307 -7.059 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.172 -4.787 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.431 -5.642 -0.519 1.00 0.00 H new ATOM 295 N VAL A 48 9.774 -5.704 1.418 1.00 0.00 N ATOM 296 CA VAL A 48 8.309 -5.974 1.395 1.00 0.00 C ATOM 297 C VAL A 48 7.547 -4.647 1.368 1.00 0.00 C ATOM 298 O VAL A 48 8.056 -3.620 1.772 1.00 0.00 O ATOM 299 CB VAL A 48 7.915 -6.763 2.645 1.00 0.00 C ATOM 300 CG1 VAL A 48 8.560 -8.149 2.598 1.00 0.00 C ATOM 301 CG2 VAL A 48 8.401 -6.018 3.890 1.00 0.00 C ATOM 0 H VAL A 48 10.119 -5.252 2.265 1.00 0.00 H new ATOM 0 HA VAL A 48 8.061 -6.555 0.507 1.00 0.00 H new ATOM 0 HB VAL A 48 6.831 -6.868 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.279 -8.711 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.217 -8.680 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.644 -8.045 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.121 -6.579 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.485 -5.914 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.943 -5.029 3.924 1.00 0.00 H new ATOM 311 N CYS A 49 6.331 -4.659 0.895 1.00 0.00 N ATOM 312 CA CYS A 49 5.539 -3.398 0.843 1.00 0.00 C ATOM 313 C CYS A 49 4.475 -3.418 1.942 1.00 0.00 C ATOM 314 O CYS A 49 3.661 -4.317 2.015 1.00 0.00 O ATOM 315 CB CYS A 49 4.860 -3.278 -0.522 1.00 0.00 C ATOM 316 SG CYS A 49 4.445 -1.545 -0.839 1.00 0.00 S ATOM 0 H CYS A 49 5.852 -5.487 0.542 1.00 0.00 H new ATOM 0 HA CYS A 49 6.202 -2.546 0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.521 -3.654 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.958 -3.889 -0.546 1.00 0.00 H new ATOM 0 HG CYS A 49 5.055 -1.142 -1.914 1.00 0.00 H new ATOM 322 N LEU A 50 4.474 -2.433 2.798 1.00 0.00 N ATOM 323 CA LEU A 50 3.462 -2.396 3.891 1.00 0.00 C ATOM 324 C LEU A 50 2.565 -1.169 3.713 1.00 0.00 C ATOM 325 O LEU A 50 2.983 -0.047 3.921 1.00 0.00 O ATOM 326 CB LEU A 50 4.175 -2.316 5.243 1.00 0.00 C ATOM 327 CG LEU A 50 4.995 -3.587 5.464 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.429 -3.211 5.841 1.00 0.00 C ATOM 329 CD2 LEU A 50 4.370 -4.407 6.595 1.00 0.00 C ATOM 0 H LEU A 50 5.130 -1.652 2.788 1.00 0.00 H new ATOM 0 HA LEU A 50 2.853 -3.299 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.825 -1.442 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.446 -2.197 6.044 1.00 0.00 H new ATOM 0 HG LEU A 50 5.003 -4.177 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.013 -4.118 5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.875 -2.627 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.421 -2.620 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.954 -5.313 6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.362 -3.816 7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.348 -4.676 6.328 1.00 0.00 H new ATOM 341 N ILE A 51 1.335 -1.373 3.329 1.00 0.00 N ATOM 342 CA ILE A 51 0.413 -0.219 3.138 1.00 0.00 C ATOM 343 C ILE A 51 -0.427 -0.021 4.401 1.00 0.00 C ATOM 344 O ILE A 51 -1.144 -0.906 4.826 1.00 0.00 O ATOM 345 CB ILE A 51 -0.510 -0.495 1.949 1.00 0.00 C ATOM 346 CG1 ILE A 51 0.259 -1.274 0.879 1.00 0.00 C ATOM 347 CG2 ILE A 51 -0.997 0.830 1.361 1.00 0.00 C ATOM 348 CD1 ILE A 51 1.576 -0.560 0.574 1.00 0.00 C ATOM 0 H ILE A 51 0.929 -2.289 3.139 1.00 0.00 H new ATOM 0 HA ILE A 51 0.995 0.682 2.945 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.367 -1.080 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.455 -2.289 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.341 -1.356 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.654 0.633 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.543 1.387 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.141 1.416 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.123 -1.115 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.369 0.447 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.177 -0.501 1.482 1.00 0.00 H new ATOM 360 N THR A 52 -0.346 1.133 5.004 1.00 0.00 N ATOM 361 CA THR A 52 -1.141 1.387 6.238 1.00 0.00 C ATOM 362 C THR A 52 -1.784 2.773 6.155 1.00 0.00 C ATOM 363 O THR A 52 -1.777 3.409 5.121 1.00 0.00 O ATOM 364 CB THR A 52 -0.221 1.323 7.460 1.00 0.00 C ATOM 365 OG1 THR A 52 0.901 0.503 7.163 1.00 0.00 O ATOM 366 CG2 THR A 52 -0.985 0.736 8.647 1.00 0.00 C ATOM 0 H THR A 52 0.237 1.911 4.695 1.00 0.00 H new ATOM 0 HA THR A 52 -1.920 0.630 6.330 1.00 0.00 H new ATOM 0 HB THR A 52 0.119 2.327 7.712 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.492 0.462 7.944 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.329 0.691 9.516 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.845 1.366 8.874 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.327 -0.269 8.399 1.00 0.00 H new ATOM 374 N GLY A 53 -2.339 3.245 7.238 1.00 0.00 N ATOM 375 CA GLY A 53 -2.981 4.590 7.220 1.00 0.00 C ATOM 376 C GLY A 53 -4.164 4.578 6.251 1.00 0.00 C ATOM 377 O GLY A 53 -4.327 5.472 5.443 1.00 0.00 O ATOM 0 H GLY A 53 -2.376 2.758 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.320 4.856 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.257 5.346 6.917 1.00 0.00 H new ATOM 381 N VAL A 54 -4.993 3.573 6.324 1.00 0.00 N ATOM 382 CA VAL A 54 -6.165 3.506 5.407 1.00 0.00 C ATOM 383 C VAL A 54 -7.398 4.075 6.112 1.00 0.00 C ATOM 384 O VAL A 54 -7.791 3.615 7.165 1.00 0.00 O ATOM 385 CB VAL A 54 -6.427 2.049 5.020 1.00 0.00 C ATOM 386 CG1 VAL A 54 -7.285 2.003 3.754 1.00 0.00 C ATOM 387 CG2 VAL A 54 -5.094 1.345 4.757 1.00 0.00 C ATOM 0 H VAL A 54 -4.909 2.796 6.979 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.958 4.089 4.510 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.951 1.546 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.472 0.965 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.234 2.505 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.761 2.506 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.279 0.307 4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.571 1.849 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.481 1.377 5.658 1.00 0.00 H new ATOM 397 N ASP A 55 -8.011 5.075 5.540 1.00 0.00 N ATOM 398 CA ASP A 55 -9.217 5.673 6.178 1.00 0.00 C ATOM 399 C ASP A 55 -10.469 5.232 5.417 1.00 0.00 C ATOM 400 O ASP A 55 -11.030 5.978 4.639 1.00 0.00 O ATOM 401 CB ASP A 55 -9.110 7.199 6.142 1.00 0.00 C ATOM 402 CG ASP A 55 -10.165 7.807 7.067 1.00 0.00 C ATOM 403 OD1 ASP A 55 -10.630 7.102 7.948 1.00 0.00 O ATOM 404 OD2 ASP A 55 -10.491 8.968 6.879 1.00 0.00 O ATOM 0 H ASP A 55 -7.729 5.503 4.659 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.284 5.338 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.114 7.512 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.253 7.560 5.123 1.00 0.00 H new ATOM 409 N LEU A 56 -10.912 4.023 5.635 1.00 0.00 N ATOM 410 CA LEU A 56 -12.127 3.536 4.924 1.00 0.00 C ATOM 411 C LEU A 56 -13.037 2.803 5.912 1.00 0.00 C ATOM 412 O LEU A 56 -12.633 2.463 7.006 1.00 0.00 O ATOM 413 CB LEU A 56 -11.713 2.578 3.805 1.00 0.00 C ATOM 414 CG LEU A 56 -10.765 3.295 2.843 1.00 0.00 C ATOM 415 CD1 LEU A 56 -10.077 2.267 1.943 1.00 0.00 C ATOM 416 CD2 LEU A 56 -11.561 4.275 1.979 1.00 0.00 C ATOM 0 H LEU A 56 -10.485 3.353 6.274 1.00 0.00 H new ATOM 0 HA LEU A 56 -12.663 4.384 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.224 1.700 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.594 2.226 3.269 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.013 3.840 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.401 2.778 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.510 1.567 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.829 1.722 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.886 4.787 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.313 3.730 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.052 5.008 2.619 1.00 0.00 H new ATOM 428 N ASP A 57 -14.262 2.557 5.535 1.00 0.00 N ATOM 429 CA ASP A 57 -15.195 1.847 6.454 1.00 0.00 C ATOM 430 C ASP A 57 -14.701 0.416 6.676 1.00 0.00 C ATOM 431 O ASP A 57 -14.190 0.081 7.726 1.00 0.00 O ATOM 432 CB ASP A 57 -16.594 1.814 5.835 1.00 0.00 C ATOM 433 CG ASP A 57 -17.466 2.890 6.485 1.00 0.00 C ATOM 434 OD1 ASP A 57 -16.928 3.687 7.235 1.00 0.00 O ATOM 435 OD2 ASP A 57 -18.657 2.898 6.221 1.00 0.00 O ATOM 0 H ASP A 57 -14.656 2.817 4.631 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.233 2.370 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.531 1.982 4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.043 0.831 5.978 1.00 0.00 H new ATOM 440 N ASP A 58 -14.850 -0.432 5.695 1.00 0.00 N ATOM 441 CA ASP A 58 -14.389 -1.840 5.851 1.00 0.00 C ATOM 442 C ASP A 58 -14.528 -2.573 4.516 1.00 0.00 C ATOM 443 O ASP A 58 -13.595 -3.180 4.030 1.00 0.00 O ATOM 444 CB ASP A 58 -15.243 -2.542 6.910 1.00 0.00 C ATOM 445 CG ASP A 58 -14.736 -3.971 7.110 1.00 0.00 C ATOM 446 OD1 ASP A 58 -13.593 -4.123 7.508 1.00 0.00 O ATOM 447 OD2 ASP A 58 -15.500 -4.890 6.863 1.00 0.00 O ATOM 0 H ASP A 58 -15.271 -0.210 4.793 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.345 -1.848 6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.197 -1.994 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.288 -2.556 6.599 1.00 0.00 H new ATOM 452 N ALA A 59 -15.687 -2.522 3.918 1.00 0.00 N ATOM 453 CA ALA A 59 -15.884 -3.216 2.614 1.00 0.00 C ATOM 454 C ALA A 59 -14.952 -2.606 1.565 1.00 0.00 C ATOM 455 O ALA A 59 -14.471 -3.283 0.679 1.00 0.00 O ATOM 456 CB ALA A 59 -17.336 -3.051 2.163 1.00 0.00 C ATOM 0 H ALA A 59 -16.506 -2.030 4.276 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.657 -4.276 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.481 -3.558 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -18.001 -3.486 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -17.563 -1.991 2.048 1.00 0.00 H new ATOM 462 N GLU A 60 -14.693 -1.330 1.658 1.00 0.00 N ATOM 463 CA GLU A 60 -13.793 -0.678 0.666 1.00 0.00 C ATOM 464 C GLU A 60 -12.359 -1.167 0.881 1.00 0.00 C ATOM 465 O GLU A 60 -11.573 -1.242 -0.043 1.00 0.00 O ATOM 466 CB GLU A 60 -13.848 0.840 0.847 1.00 0.00 C ATOM 467 CG GLU A 60 -14.686 1.458 -0.273 1.00 0.00 C ATOM 468 CD GLU A 60 -14.938 2.935 0.032 1.00 0.00 C ATOM 469 OE1 GLU A 60 -14.639 3.350 1.139 1.00 0.00 O ATOM 470 OE2 GLU A 60 -15.426 3.627 -0.847 1.00 0.00 O ATOM 0 H GLU A 60 -15.066 -0.711 2.378 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.117 -0.934 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.280 1.086 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.840 1.255 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.169 1.356 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.634 0.928 -0.366 1.00 0.00 H new ATOM 477 N LEU A 61 -12.011 -1.500 2.094 1.00 0.00 N ATOM 478 CA LEU A 61 -10.628 -1.985 2.366 1.00 0.00 C ATOM 479 C LEU A 61 -10.449 -3.377 1.758 1.00 0.00 C ATOM 480 O LEU A 61 -9.460 -3.661 1.111 1.00 0.00 O ATOM 481 CB LEU A 61 -10.400 -2.054 3.878 1.00 0.00 C ATOM 482 CG LEU A 61 -8.902 -1.971 4.173 1.00 0.00 C ATOM 483 CD1 LEU A 61 -8.679 -1.201 5.476 1.00 0.00 C ATOM 484 CD2 LEU A 61 -8.332 -3.384 4.313 1.00 0.00 C ATOM 0 H LEU A 61 -12.624 -1.457 2.908 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.907 -1.299 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.925 -1.237 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.809 -2.983 4.276 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.399 -1.454 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.611 -1.142 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.085 -0.194 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.181 -1.717 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.264 -3.326 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.835 -3.900 5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.490 -3.934 3.385 1.00 0.00 H new ATOM 496 N THR A 62 -11.398 -4.249 1.962 1.00 0.00 N ATOM 497 CA THR A 62 -11.283 -5.623 1.397 1.00 0.00 C ATOM 498 C THR A 62 -11.213 -5.542 -0.130 1.00 0.00 C ATOM 499 O THR A 62 -10.417 -6.209 -0.760 1.00 0.00 O ATOM 500 CB THR A 62 -12.504 -6.449 1.809 1.00 0.00 C ATOM 501 OG1 THR A 62 -13.554 -5.575 2.198 1.00 0.00 O ATOM 502 CG2 THR A 62 -12.135 -7.359 2.981 1.00 0.00 C ATOM 0 H THR A 62 -12.248 -4.069 2.496 1.00 0.00 H new ATOM 0 HA THR A 62 -10.379 -6.098 1.778 1.00 0.00 H new ATOM 0 HB THR A 62 -12.831 -7.060 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.735 -4.939 1.475 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.005 -7.947 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.329 -8.029 2.682 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.808 -6.751 3.824 1.00 0.00 H new ATOM 510 N LYS A 63 -12.041 -4.731 -0.729 1.00 0.00 N ATOM 511 CA LYS A 63 -12.020 -4.610 -2.214 1.00 0.00 C ATOM 512 C LYS A 63 -10.644 -4.118 -2.665 1.00 0.00 C ATOM 513 O LYS A 63 -10.012 -4.710 -3.518 1.00 0.00 O ATOM 514 CB LYS A 63 -13.091 -3.614 -2.663 1.00 0.00 C ATOM 515 CG LYS A 63 -13.330 -3.767 -4.166 1.00 0.00 C ATOM 516 CD LYS A 63 -14.412 -2.783 -4.616 1.00 0.00 C ATOM 517 CE LYS A 63 -14.600 -2.890 -6.130 1.00 0.00 C ATOM 518 NZ LYS A 63 -15.401 -1.730 -6.614 1.00 0.00 N ATOM 0 H LYS A 63 -12.730 -4.148 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.223 -5.584 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.018 -3.789 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.775 -2.596 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.405 -3.581 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.635 -4.788 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.351 -3.000 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.129 -1.766 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.630 -2.909 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.104 -3.823 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.529 -1.802 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.331 -1.732 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.903 -0.846 -6.388 1.00 0.00 H new ATOM 532 N LEU A 64 -10.172 -3.040 -2.101 1.00 0.00 N ATOM 533 CA LEU A 64 -8.836 -2.516 -2.501 1.00 0.00 C ATOM 534 C LEU A 64 -7.824 -3.663 -2.508 1.00 0.00 C ATOM 535 O LEU A 64 -7.070 -3.832 -3.446 1.00 0.00 O ATOM 536 CB LEU A 64 -8.387 -1.444 -1.506 1.00 0.00 C ATOM 537 CG LEU A 64 -7.691 -0.309 -2.259 1.00 0.00 C ATOM 538 CD1 LEU A 64 -6.483 -0.863 -3.016 1.00 0.00 C ATOM 539 CD2 LEU A 64 -8.671 0.317 -3.254 1.00 0.00 C ATOM 0 H LEU A 64 -10.653 -2.500 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.900 -2.079 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.247 -1.058 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.709 -1.877 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.358 0.448 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.987 -0.054 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.785 -1.311 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.815 -1.620 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.177 1.126 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.003 -0.441 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.533 0.712 -2.716 1.00 0.00 H new ATOM 551 N ALA A 65 -7.804 -4.455 -1.471 1.00 0.00 N ATOM 552 CA ALA A 65 -6.843 -5.592 -1.423 1.00 0.00 C ATOM 553 C ALA A 65 -7.076 -6.502 -2.630 1.00 0.00 C ATOM 554 O ALA A 65 -6.146 -6.965 -3.260 1.00 0.00 O ATOM 555 CB ALA A 65 -7.059 -6.389 -0.134 1.00 0.00 C ATOM 0 H ALA A 65 -8.411 -4.364 -0.656 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.823 -5.209 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.356 -7.221 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.897 -5.740 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.078 -6.774 -0.111 1.00 0.00 H new ATOM 561 N ALA A 66 -8.312 -6.759 -2.959 1.00 0.00 N ATOM 562 CA ALA A 66 -8.606 -7.636 -4.127 1.00 0.00 C ATOM 563 C ALA A 66 -8.125 -6.952 -5.408 1.00 0.00 C ATOM 564 O ALA A 66 -7.847 -7.596 -6.400 1.00 0.00 O ATOM 565 CB ALA A 66 -10.113 -7.881 -4.215 1.00 0.00 C ATOM 0 H ALA A 66 -9.131 -6.399 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.091 -8.589 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.328 -8.523 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.457 -8.366 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.630 -6.929 -4.337 1.00 0.00 H new ATOM 571 N GLU A 67 -8.024 -5.651 -5.393 1.00 0.00 N ATOM 572 CA GLU A 67 -7.560 -4.927 -6.610 1.00 0.00 C ATOM 573 C GLU A 67 -6.049 -5.104 -6.762 1.00 0.00 C ATOM 574 O GLU A 67 -5.539 -5.261 -7.854 1.00 0.00 O ATOM 575 CB GLU A 67 -7.889 -3.439 -6.474 1.00 0.00 C ATOM 576 CG GLU A 67 -8.887 -3.035 -7.561 1.00 0.00 C ATOM 577 CD GLU A 67 -8.941 -1.509 -7.666 1.00 0.00 C ATOM 578 OE1 GLU A 67 -7.948 -0.878 -7.343 1.00 0.00 O ATOM 579 OE2 GLU A 67 -9.974 -0.998 -8.066 1.00 0.00 O ATOM 0 H GLU A 67 -8.242 -5.059 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.063 -5.331 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.308 -3.237 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.979 -2.845 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.592 -3.465 -8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.876 -3.429 -7.326 1.00 0.00 H new ATOM 586 N LEU A 68 -5.327 -5.082 -5.674 1.00 0.00 N ATOM 587 CA LEU A 68 -3.849 -5.251 -5.757 1.00 0.00 C ATOM 588 C LEU A 68 -3.527 -6.681 -6.196 1.00 0.00 C ATOM 589 O LEU A 68 -2.664 -6.909 -7.021 1.00 0.00 O ATOM 590 CB LEU A 68 -3.227 -4.985 -4.384 1.00 0.00 C ATOM 591 CG LEU A 68 -3.019 -3.481 -4.201 1.00 0.00 C ATOM 592 CD1 LEU A 68 -3.009 -3.143 -2.709 1.00 0.00 C ATOM 593 CD2 LEU A 68 -1.682 -3.072 -4.823 1.00 0.00 C ATOM 0 H LEU A 68 -5.697 -4.954 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.441 -4.546 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.876 -5.371 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.275 -5.508 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.830 -2.941 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.861 -2.071 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.960 -3.434 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.199 -3.683 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.533 -2.000 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.872 -3.613 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.687 -3.311 -5.886 1.00 0.00 H new ATOM 605 N LYS A 69 -4.218 -7.646 -5.654 1.00 0.00 N ATOM 606 CA LYS A 69 -3.958 -9.060 -6.041 1.00 0.00 C ATOM 607 C LYS A 69 -4.125 -9.210 -7.554 1.00 0.00 C ATOM 608 O LYS A 69 -3.329 -9.844 -8.218 1.00 0.00 O ATOM 609 CB LYS A 69 -4.955 -9.974 -5.324 1.00 0.00 C ATOM 610 CG LYS A 69 -4.519 -11.431 -5.478 1.00 0.00 C ATOM 611 CD LYS A 69 -5.140 -12.269 -4.360 1.00 0.00 C ATOM 612 CE LYS A 69 -4.469 -13.642 -4.316 1.00 0.00 C ATOM 613 NZ LYS A 69 -5.513 -14.705 -4.285 1.00 0.00 N ATOM 0 H LYS A 69 -4.953 -7.515 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.942 -9.336 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.011 -9.710 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.953 -9.837 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.830 -11.814 -6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.432 -11.503 -5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.019 -11.763 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.211 -12.382 -4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.827 -13.773 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.831 -13.719 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.057 -15.639 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.108 -14.583 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.104 -14.636 -5.138 1.00 0.00 H new ATOM 627 N LYS A 70 -5.155 -8.629 -8.106 1.00 0.00 N ATOM 628 CA LYS A 70 -5.375 -8.735 -9.575 1.00 0.00 C ATOM 629 C LYS A 70 -4.104 -8.308 -10.313 1.00 0.00 C ATOM 630 O LYS A 70 -3.787 -8.819 -11.370 1.00 0.00 O ATOM 631 CB LYS A 70 -6.531 -7.820 -9.985 1.00 0.00 C ATOM 632 CG LYS A 70 -7.708 -8.666 -10.477 1.00 0.00 C ATOM 633 CD LYS A 70 -8.996 -7.843 -10.397 1.00 0.00 C ATOM 634 CE LYS A 70 -10.187 -8.712 -10.807 1.00 0.00 C ATOM 635 NZ LYS A 70 -11.303 -7.838 -11.267 1.00 0.00 N ATOM 0 H LYS A 70 -5.855 -8.085 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.617 -9.766 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.840 -7.207 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.207 -7.138 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.533 -8.989 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.801 -9.567 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.138 -7.469 -9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.925 -6.974 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.895 -9.396 -11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.512 -9.323 -9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.113 -8.427 -11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.587 -7.202 -10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.989 -7.274 -12.082 1.00 0.00 H new ATOM 649 N LYS A 71 -3.374 -7.373 -9.769 1.00 0.00 N ATOM 650 CA LYS A 71 -2.127 -6.912 -10.444 1.00 0.00 C ATOM 651 C LYS A 71 -0.914 -7.228 -9.566 1.00 0.00 C ATOM 652 O LYS A 71 -0.128 -6.359 -9.243 1.00 0.00 O ATOM 653 CB LYS A 71 -2.202 -5.402 -10.676 1.00 0.00 C ATOM 654 CG LYS A 71 -3.042 -5.116 -11.922 1.00 0.00 C ATOM 655 CD LYS A 71 -2.831 -3.664 -12.354 1.00 0.00 C ATOM 656 CE LYS A 71 -3.988 -3.224 -13.252 1.00 0.00 C ATOM 657 NZ LYS A 71 -4.237 -1.767 -13.062 1.00 0.00 N ATOM 0 H LYS A 71 -3.587 -6.908 -8.886 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.026 -7.427 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.642 -4.912 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.199 -4.992 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.758 -5.792 -12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.097 -5.295 -11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.771 -3.018 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.885 -3.566 -12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.751 -3.430 -14.296 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.886 -3.792 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.024 -1.467 -13.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.480 -1.583 -12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.381 -1.233 -13.313 1.00 0.00 H new ATOM 671 N CYS A 72 -0.750 -8.463 -9.178 1.00 0.00 N ATOM 672 CA CYS A 72 0.418 -8.822 -8.324 1.00 0.00 C ATOM 673 C CYS A 72 0.981 -10.174 -8.768 1.00 0.00 C ATOM 674 O CYS A 72 2.178 -10.385 -8.776 1.00 0.00 O ATOM 675 CB CYS A 72 -0.025 -8.910 -6.862 1.00 0.00 C ATOM 676 SG CYS A 72 1.041 -7.859 -5.845 1.00 0.00 S ATOM 0 H CYS A 72 -1.372 -9.237 -9.414 1.00 0.00 H new ATOM 0 HA CYS A 72 1.188 -8.057 -8.425 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.064 -8.594 -6.766 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.027 -9.942 -6.516 1.00 0.00 H new ATOM 0 HG CYS A 72 1.130 -8.360 -4.649 1.00 0.00 H new ATOM 682 N GLY A 73 0.129 -11.091 -9.136 1.00 0.00 N ATOM 683 CA GLY A 73 0.618 -12.428 -9.575 1.00 0.00 C ATOM 684 C GLY A 73 0.677 -13.366 -8.369 1.00 0.00 C ATOM 685 O GLY A 73 0.618 -14.572 -8.503 1.00 0.00 O ATOM 0 H GLY A 73 -0.884 -10.972 -9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.045 -12.838 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.605 -12.336 -10.027 1.00 0.00 H new ATOM 689 N CYS A 74 0.792 -12.820 -7.190 1.00 0.00 N ATOM 690 CA CYS A 74 0.854 -13.678 -5.973 1.00 0.00 C ATOM 691 C CYS A 74 1.341 -12.843 -4.787 1.00 0.00 C ATOM 692 O CYS A 74 2.305 -12.110 -4.884 1.00 0.00 O ATOM 693 CB CYS A 74 1.823 -14.838 -6.215 1.00 0.00 C ATOM 694 SG CYS A 74 3.257 -14.243 -7.145 1.00 0.00 S ATOM 0 H CYS A 74 0.846 -11.816 -7.016 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.138 -14.074 -5.755 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.144 -15.262 -5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.323 -15.634 -6.767 1.00 0.00 H new ATOM 0 HG CYS A 74 4.081 -15.228 -7.349 1.00 0.00 H new ATOM 700 N GLY A 75 0.680 -12.946 -3.667 1.00 0.00 N ATOM 701 CA GLY A 75 1.103 -12.156 -2.476 1.00 0.00 C ATOM 702 C GLY A 75 0.070 -11.063 -2.199 1.00 0.00 C ATOM 703 O GLY A 75 -0.111 -10.153 -2.984 1.00 0.00 O ATOM 0 H GLY A 75 -0.135 -13.543 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.200 -12.809 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.082 -11.710 -2.650 1.00 0.00 H new ATOM 707 N GLY A 76 -0.611 -11.146 -1.090 1.00 0.00 N ATOM 708 CA GLY A 76 -1.634 -10.114 -0.765 1.00 0.00 C ATOM 709 C GLY A 76 -2.310 -10.470 0.559 1.00 0.00 C ATOM 710 O GLY A 76 -3.426 -10.951 0.589 1.00 0.00 O ATOM 0 H GLY A 76 -0.503 -11.884 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.167 -9.132 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.376 -10.058 -1.562 1.00 0.00 H new ATOM 714 N ALA A 77 -1.642 -10.241 1.654 1.00 0.00 N ATOM 715 CA ALA A 77 -2.243 -10.569 2.976 1.00 0.00 C ATOM 716 C ALA A 77 -3.140 -9.415 3.429 1.00 0.00 C ATOM 717 O ALA A 77 -2.919 -8.271 3.084 1.00 0.00 O ATOM 718 CB ALA A 77 -1.128 -10.781 4.002 1.00 0.00 C ATOM 0 H ALA A 77 -0.705 -9.840 1.691 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.837 -11.479 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.566 -11.021 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.488 -11.602 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.535 -9.871 4.088 1.00 0.00 H new ATOM 724 N VAL A 78 -4.150 -9.706 4.202 1.00 0.00 N ATOM 725 CA VAL A 78 -5.060 -8.628 4.679 1.00 0.00 C ATOM 726 C VAL A 78 -5.028 -8.580 6.208 1.00 0.00 C ATOM 727 O VAL A 78 -4.943 -9.597 6.867 1.00 0.00 O ATOM 728 CB VAL A 78 -6.486 -8.916 4.208 1.00 0.00 C ATOM 729 CG1 VAL A 78 -7.394 -7.742 4.578 1.00 0.00 C ATOM 730 CG2 VAL A 78 -6.492 -9.105 2.689 1.00 0.00 C ATOM 0 H VAL A 78 -4.384 -10.645 4.524 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.733 -7.670 4.275 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.851 -9.823 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.410 -7.948 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.390 -7.606 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.030 -6.834 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.508 -9.310 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.127 -8.198 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.846 -9.942 2.424 1.00 0.00 H new ATOM 740 N LYS A 79 -5.093 -7.408 6.777 1.00 0.00 N ATOM 741 CA LYS A 79 -5.065 -7.302 8.262 1.00 0.00 C ATOM 742 C LYS A 79 -5.915 -6.109 8.705 1.00 0.00 C ATOM 743 O LYS A 79 -6.363 -5.320 7.898 1.00 0.00 O ATOM 744 CB LYS A 79 -3.622 -7.107 8.732 1.00 0.00 C ATOM 745 CG LYS A 79 -2.976 -8.474 8.975 1.00 0.00 C ATOM 746 CD LYS A 79 -1.623 -8.286 9.663 1.00 0.00 C ATOM 747 CE LYS A 79 -1.489 -9.292 10.808 1.00 0.00 C ATOM 748 NZ LYS A 79 -0.110 -9.228 11.369 1.00 0.00 N ATOM 0 H LYS A 79 -5.164 -6.521 6.279 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.468 -8.215 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.056 -6.553 7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.603 -6.516 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.628 -9.091 9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.845 -8.999 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.815 -8.426 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.536 -7.269 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.220 -9.072 11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.700 -10.299 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.020 -9.912 12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.579 -9.458 10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.075 -8.269 11.728 1.00 0.00 H new ATOM 762 N ASP A 80 -6.143 -5.976 9.983 1.00 0.00 N ATOM 763 CA ASP A 80 -6.968 -4.839 10.480 1.00 0.00 C ATOM 764 C ASP A 80 -6.264 -3.516 10.170 1.00 0.00 C ATOM 765 O ASP A 80 -5.329 -3.126 10.841 1.00 0.00 O ATOM 766 CB ASP A 80 -7.160 -4.973 11.993 1.00 0.00 C ATOM 767 CG ASP A 80 -8.015 -6.206 12.291 1.00 0.00 C ATOM 768 OD1 ASP A 80 -8.739 -6.629 11.404 1.00 0.00 O ATOM 769 OD2 ASP A 80 -7.932 -6.707 13.400 1.00 0.00 O ATOM 0 H ASP A 80 -5.793 -6.606 10.705 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.939 -4.854 9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.192 -5.060 12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.641 -4.079 12.390 1.00 0.00 H new ATOM 774 N GLY A 81 -6.710 -2.820 9.160 1.00 0.00 N ATOM 775 CA GLY A 81 -6.072 -1.519 8.809 1.00 0.00 C ATOM 776 C GLY A 81 -4.617 -1.751 8.398 1.00 0.00 C ATOM 777 O GLY A 81 -3.783 -0.875 8.517 1.00 0.00 O ATOM 0 H GLY A 81 -7.489 -3.096 8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.618 -1.043 7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.115 -0.840 9.661 1.00 0.00 H new ATOM 781 N VAL A 82 -4.304 -2.922 7.915 1.00 0.00 N ATOM 782 CA VAL A 82 -2.901 -3.202 7.498 1.00 0.00 C ATOM 783 C VAL A 82 -2.907 -4.149 6.296 1.00 0.00 C ATOM 784 O VAL A 82 -3.456 -5.232 6.349 1.00 0.00 O ATOM 785 CB VAL A 82 -2.143 -3.850 8.660 1.00 0.00 C ATOM 786 CG1 VAL A 82 -0.825 -4.438 8.151 1.00 0.00 C ATOM 787 CG2 VAL A 82 -1.848 -2.792 9.726 1.00 0.00 C ATOM 0 H VAL A 82 -4.957 -3.695 7.791 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.409 -2.269 7.222 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.752 -4.645 9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.288 -4.898 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.032 -5.191 7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.215 -3.644 7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.308 -3.251 10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.240 -1.998 9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.785 -2.373 10.092 1.00 0.00 H new ATOM 797 N ILE A 83 -2.301 -3.750 5.211 1.00 0.00 N ATOM 798 CA ILE A 83 -2.273 -4.627 4.007 1.00 0.00 C ATOM 799 C ILE A 83 -0.825 -4.990 3.673 1.00 0.00 C ATOM 800 O ILE A 83 0.067 -4.169 3.756 1.00 0.00 O ATOM 801 CB ILE A 83 -2.898 -3.887 2.823 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.375 -3.610 3.117 1.00 0.00 C ATOM 803 CG2 ILE A 83 -2.783 -4.748 1.565 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.832 -2.384 2.325 1.00 0.00 C ATOM 0 H ILE A 83 -1.824 -2.854 5.107 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.839 -5.537 4.208 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.374 -2.944 2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.979 -4.476 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.519 -3.441 4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.228 -4.221 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.732 -4.947 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.307 -5.691 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.883 -2.187 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.236 -1.519 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.703 -2.571 1.259 1.00 0.00 H new ATOM 816 N GLU A 84 -0.583 -6.215 3.294 1.00 0.00 N ATOM 817 CA GLU A 84 0.807 -6.628 2.953 1.00 0.00 C ATOM 818 C GLU A 84 0.878 -6.989 1.468 1.00 0.00 C ATOM 819 O GLU A 84 0.063 -7.733 0.960 1.00 0.00 O ATOM 820 CB GLU A 84 1.199 -7.845 3.794 1.00 0.00 C ATOM 821 CG GLU A 84 2.136 -7.405 4.921 1.00 0.00 C ATOM 822 CD GLU A 84 1.912 -8.292 6.147 1.00 0.00 C ATOM 823 OE1 GLU A 84 0.851 -8.887 6.237 1.00 0.00 O ATOM 824 OE2 GLU A 84 2.806 -8.361 6.975 1.00 0.00 O ATOM 0 H GLU A 84 -1.288 -6.947 3.206 1.00 0.00 H new ATOM 0 HA GLU A 84 1.493 -5.807 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.308 -8.315 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.690 -8.590 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.173 -7.474 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.951 -6.361 5.175 1.00 0.00 H new ATOM 831 N ILE A 85 1.846 -6.466 0.766 1.00 0.00 N ATOM 832 CA ILE A 85 1.966 -6.779 -0.685 1.00 0.00 C ATOM 833 C ILE A 85 3.392 -7.240 -0.994 1.00 0.00 C ATOM 834 O ILE A 85 4.355 -6.676 -0.514 1.00 0.00 O ATOM 835 CB ILE A 85 1.647 -5.527 -1.503 1.00 0.00 C ATOM 836 CG1 ILE A 85 0.210 -5.085 -1.217 1.00 0.00 C ATOM 837 CG2 ILE A 85 1.796 -5.838 -2.993 1.00 0.00 C ATOM 838 CD1 ILE A 85 -0.758 -6.194 -1.631 1.00 0.00 C ATOM 0 H ILE A 85 2.558 -5.836 1.135 1.00 0.00 H new ATOM 0 HA ILE A 85 1.265 -7.573 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 85 2.336 -4.729 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.091 -4.862 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.015 -4.169 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.568 -4.945 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.819 -6.154 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.107 -6.636 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.781 -5.879 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.646 -6.396 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.538 -7.099 -1.065 1.00 0.00 H new ATOM 850 N GLN A 86 3.534 -8.263 -1.792 1.00 0.00 N ATOM 851 CA GLN A 86 4.897 -8.760 -2.132 1.00 0.00 C ATOM 852 C GLN A 86 5.340 -8.159 -3.468 1.00 0.00 C ATOM 853 O GLN A 86 4.828 -8.505 -4.514 1.00 0.00 O ATOM 854 CB GLN A 86 4.870 -10.286 -2.242 1.00 0.00 C ATOM 855 CG GLN A 86 6.295 -10.832 -2.134 1.00 0.00 C ATOM 856 CD GLN A 86 6.801 -10.657 -0.701 1.00 0.00 C ATOM 857 OE1 GLN A 86 7.629 -9.808 -0.436 1.00 0.00 O ATOM 858 NE2 GLN A 86 6.335 -11.430 0.242 1.00 0.00 N ATOM 0 H GLN A 86 2.765 -8.776 -2.223 1.00 0.00 H new ATOM 0 HA GLN A 86 5.598 -8.465 -1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.247 -10.707 -1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.426 -10.585 -3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.314 -11.886 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.951 -10.307 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.640 -12.143 0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.666 -11.321 1.201 1.00 0.00 H new ATOM 867 N GLY A 87 6.288 -7.263 -3.441 1.00 0.00 N ATOM 868 CA GLY A 87 6.761 -6.641 -4.710 1.00 0.00 C ATOM 869 C GLY A 87 7.595 -5.399 -4.391 1.00 0.00 C ATOM 870 O GLY A 87 7.599 -4.912 -3.278 1.00 0.00 O ATOM 0 H GLY A 87 6.755 -6.935 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.357 -7.356 -5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.909 -6.370 -5.334 1.00 0.00 H new ATOM 874 N ASP A 88 8.301 -4.882 -5.359 1.00 0.00 N ATOM 875 CA ASP A 88 9.133 -3.672 -5.110 1.00 0.00 C ATOM 876 C ASP A 88 8.830 -2.617 -6.175 1.00 0.00 C ATOM 877 O ASP A 88 9.688 -2.237 -6.948 1.00 0.00 O ATOM 878 CB ASP A 88 10.614 -4.049 -5.172 1.00 0.00 C ATOM 879 CG ASP A 88 11.024 -4.729 -3.864 1.00 0.00 C ATOM 880 OD1 ASP A 88 10.615 -5.860 -3.654 1.00 0.00 O ATOM 881 OD2 ASP A 88 11.738 -4.108 -3.095 1.00 0.00 O ATOM 0 H ASP A 88 8.337 -5.245 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 88 8.902 -3.269 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.795 -4.717 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.220 -3.158 -5.336 1.00 0.00 H new ATOM 886 N LYS A 89 7.617 -2.139 -6.223 1.00 0.00 N ATOM 887 CA LYS A 89 7.260 -1.109 -7.239 1.00 0.00 C ATOM 888 C LYS A 89 6.618 0.093 -6.543 1.00 0.00 C ATOM 889 O LYS A 89 5.546 0.533 -6.908 1.00 0.00 O ATOM 890 CB LYS A 89 6.272 -1.705 -8.244 1.00 0.00 C ATOM 891 CG LYS A 89 6.967 -2.799 -9.056 1.00 0.00 C ATOM 892 CD LYS A 89 6.206 -3.025 -10.364 1.00 0.00 C ATOM 893 CE LYS A 89 7.051 -3.886 -11.304 1.00 0.00 C ATOM 894 NZ LYS A 89 6.334 -4.059 -12.599 1.00 0.00 N ATOM 0 H LYS A 89 6.857 -2.417 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 89 8.160 -0.787 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.410 -2.118 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.899 -0.926 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.997 -2.511 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.006 -3.724 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.253 -3.515 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.979 -2.069 -10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.020 -3.416 -11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.243 -4.858 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.908 -4.644 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.420 -4.525 -12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.173 -3.128 -13.034 1.00 0.00 H new ATOM 908 N ARG A 90 7.265 0.626 -5.543 1.00 0.00 N ATOM 909 CA ARG A 90 6.690 1.798 -4.825 1.00 0.00 C ATOM 910 C ARG A 90 6.326 2.887 -5.837 1.00 0.00 C ATOM 911 O ARG A 90 5.343 3.585 -5.685 1.00 0.00 O ATOM 912 CB ARG A 90 7.721 2.346 -3.835 1.00 0.00 C ATOM 913 CG ARG A 90 8.920 2.904 -4.603 1.00 0.00 C ATOM 914 CD ARG A 90 9.965 3.422 -3.613 1.00 0.00 C ATOM 915 NE ARG A 90 10.539 4.700 -4.120 1.00 0.00 N ATOM 916 CZ ARG A 90 11.706 5.104 -3.697 1.00 0.00 C ATOM 917 NH1 ARG A 90 12.742 4.317 -3.792 1.00 0.00 N ATOM 918 NH2 ARG A 90 11.836 6.295 -3.181 1.00 0.00 N ATOM 0 H ARG A 90 8.166 0.301 -5.193 1.00 0.00 H new ATOM 0 HA ARG A 90 5.795 1.490 -4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.272 3.128 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.045 1.556 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.354 2.128 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.599 3.709 -5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.509 3.578 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.755 2.683 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 90 10.020 5.259 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.640 3.386 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.654 4.632 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.026 6.910 -3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.748 6.611 -2.850 1.00 0.00 H new ATOM 932 N ASP A 91 7.111 3.038 -6.868 1.00 0.00 N ATOM 933 CA ASP A 91 6.809 4.081 -7.888 1.00 0.00 C ATOM 934 C ASP A 91 5.439 3.806 -8.510 1.00 0.00 C ATOM 935 O ASP A 91 4.643 4.703 -8.705 1.00 0.00 O ATOM 936 CB ASP A 91 7.880 4.052 -8.981 1.00 0.00 C ATOM 937 CG ASP A 91 9.011 5.014 -8.614 1.00 0.00 C ATOM 938 OD1 ASP A 91 8.898 5.667 -7.589 1.00 0.00 O ATOM 939 OD2 ASP A 91 9.972 5.081 -9.363 1.00 0.00 O ATOM 0 H ASP A 91 7.948 2.484 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 91 6.802 5.062 -7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.271 3.041 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.444 4.335 -9.939 1.00 0.00 H new ATOM 944 N LEU A 92 5.156 2.570 -8.822 1.00 0.00 N ATOM 945 CA LEU A 92 3.837 2.239 -9.431 1.00 0.00 C ATOM 946 C LEU A 92 2.728 2.470 -8.403 1.00 0.00 C ATOM 947 O LEU A 92 1.633 2.876 -8.738 1.00 0.00 O ATOM 948 CB LEU A 92 3.831 0.772 -9.867 1.00 0.00 C ATOM 949 CG LEU A 92 2.441 0.399 -10.385 1.00 0.00 C ATOM 950 CD1 LEU A 92 2.506 0.160 -11.894 1.00 0.00 C ATOM 951 CD2 LEU A 92 1.964 -0.876 -9.688 1.00 0.00 C ATOM 0 H LEU A 92 5.781 1.776 -8.681 1.00 0.00 H new ATOM 0 HA LEU A 92 3.667 2.877 -10.298 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.576 0.610 -10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.102 0.131 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 92 1.745 1.211 -10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.516 -0.106 -12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.847 1.068 -12.392 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.202 -0.652 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.973 -1.143 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.660 -1.688 -9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.918 -0.707 -8.612 1.00 0.00 H new ATOM 963 N LEU A 93 3.003 2.215 -7.153 1.00 0.00 N ATOM 964 CA LEU A 93 1.963 2.421 -6.105 1.00 0.00 C ATOM 965 C LEU A 93 1.569 3.898 -6.060 1.00 0.00 C ATOM 966 O LEU A 93 0.413 4.238 -5.905 1.00 0.00 O ATOM 967 CB LEU A 93 2.521 2.000 -4.744 1.00 0.00 C ATOM 968 CG LEU A 93 2.118 0.554 -4.451 1.00 0.00 C ATOM 969 CD1 LEU A 93 3.335 -0.225 -3.949 1.00 0.00 C ATOM 970 CD2 LEU A 93 1.026 0.537 -3.379 1.00 0.00 C ATOM 0 H LEU A 93 3.902 1.873 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 93 1.086 1.819 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.607 2.094 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.141 2.660 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 93 1.742 0.091 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.047 -1.255 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.114 -0.213 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.712 0.238 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.738 -0.493 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.403 1.001 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.158 1.091 -3.735 1.00 0.00 H new ATOM 982 N LYS A 94 2.522 4.780 -6.194 1.00 0.00 N ATOM 983 CA LYS A 94 2.201 6.235 -6.158 1.00 0.00 C ATOM 984 C LYS A 94 1.300 6.587 -7.344 1.00 0.00 C ATOM 985 O LYS A 94 0.528 7.524 -7.292 1.00 0.00 O ATOM 986 CB LYS A 94 3.496 7.046 -6.243 1.00 0.00 C ATOM 987 CG LYS A 94 3.230 8.482 -5.787 1.00 0.00 C ATOM 988 CD LYS A 94 4.477 9.334 -6.029 1.00 0.00 C ATOM 989 CE LYS A 94 4.152 10.804 -5.761 1.00 0.00 C ATOM 990 NZ LYS A 94 5.364 11.635 -6.008 1.00 0.00 N ATOM 0 H LYS A 94 3.508 4.556 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 94 1.686 6.471 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.264 6.591 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.874 7.042 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.382 8.897 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.967 8.496 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.287 9.005 -5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.822 9.208 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.337 11.131 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.815 10.931 -4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.143 12.635 -5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.130 11.329 -5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.667 11.522 -6.997 1.00 0.00 H new ATOM 1004 N SER A 95 1.392 5.844 -8.412 1.00 0.00 N ATOM 1005 CA SER A 95 0.540 6.138 -9.599 1.00 0.00 C ATOM 1006 C SER A 95 -0.891 5.670 -9.329 1.00 0.00 C ATOM 1007 O SER A 95 -1.821 6.452 -9.333 1.00 0.00 O ATOM 1008 CB SER A 95 1.095 5.401 -10.819 1.00 0.00 C ATOM 1009 OG SER A 95 0.405 5.834 -11.983 1.00 0.00 O ATOM 0 H SER A 95 2.020 5.047 -8.514 1.00 0.00 H new ATOM 0 HA SER A 95 0.541 7.211 -9.790 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.163 5.596 -10.921 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.978 4.325 -10.692 1.00 0.00 H new ATOM 0 HG SER A 95 0.760 5.365 -12.767 1.00 0.00 H new ATOM 1015 N LEU A 96 -1.075 4.400 -9.093 1.00 0.00 N ATOM 1016 CA LEU A 96 -2.447 3.884 -8.822 1.00 0.00 C ATOM 1017 C LEU A 96 -3.090 4.707 -7.704 1.00 0.00 C ATOM 1018 O LEU A 96 -4.286 4.920 -7.687 1.00 0.00 O ATOM 1019 CB LEU A 96 -2.364 2.417 -8.392 1.00 0.00 C ATOM 1020 CG LEU A 96 -1.372 2.279 -7.237 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -2.066 2.640 -5.922 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -0.871 0.835 -7.167 1.00 0.00 C ATOM 0 H LEU A 96 -0.335 3.698 -9.076 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.051 3.965 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.347 2.061 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.049 1.798 -9.232 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.529 2.951 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.359 2.542 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.426 3.668 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.909 1.968 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.163 0.735 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.715 0.165 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.377 0.575 -8.103 1.00 0.00 H new ATOM 1034 N LEU A 97 -2.306 5.171 -6.770 1.00 0.00 N ATOM 1035 CA LEU A 97 -2.874 5.980 -5.655 1.00 0.00 C ATOM 1036 C LEU A 97 -3.353 7.329 -6.195 1.00 0.00 C ATOM 1037 O LEU A 97 -4.490 7.715 -6.008 1.00 0.00 O ATOM 1038 CB LEU A 97 -1.798 6.210 -4.592 1.00 0.00 C ATOM 1039 CG LEU A 97 -2.361 5.869 -3.212 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -3.656 6.651 -2.981 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -2.654 4.369 -3.138 1.00 0.00 C ATOM 0 H LEU A 97 -1.297 5.025 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.715 5.447 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.926 5.592 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.466 7.248 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.633 6.137 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.057 6.408 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.450 7.720 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.384 6.383 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.055 4.125 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.382 4.102 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.733 3.810 -3.303 1.00 0.00 H new ATOM 1053 N GLU A 98 -2.495 8.048 -6.865 1.00 0.00 N ATOM 1054 CA GLU A 98 -2.903 9.371 -7.417 1.00 0.00 C ATOM 1055 C GLU A 98 -3.985 9.170 -8.479 1.00 0.00 C ATOM 1056 O GLU A 98 -4.630 10.106 -8.908 1.00 0.00 O ATOM 1057 CB GLU A 98 -1.689 10.056 -8.049 1.00 0.00 C ATOM 1058 CG GLU A 98 -0.912 10.815 -6.972 1.00 0.00 C ATOM 1059 CD GLU A 98 0.052 11.800 -7.635 1.00 0.00 C ATOM 1060 OE1 GLU A 98 0.150 11.775 -8.851 1.00 0.00 O ATOM 1061 OE2 GLU A 98 0.677 12.562 -6.916 1.00 0.00 O ATOM 0 H GLU A 98 -1.530 7.777 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.295 9.994 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.045 9.314 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.012 10.743 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.602 11.349 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.359 10.115 -6.346 1.00 0.00 H new ATOM 1068 N ALA A 99 -4.189 7.954 -8.908 1.00 0.00 N ATOM 1069 CA ALA A 99 -5.230 7.694 -9.943 1.00 0.00 C ATOM 1070 C ALA A 99 -6.612 8.010 -9.367 1.00 0.00 C ATOM 1071 O ALA A 99 -7.525 8.371 -10.082 1.00 0.00 O ATOM 1072 CB ALA A 99 -5.176 6.224 -10.361 1.00 0.00 C ATOM 0 H ALA A 99 -3.680 7.130 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.045 8.326 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.937 6.033 -11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.192 5.998 -10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.361 5.592 -9.493 1.00 0.00 H new ATOM 1078 N LYS A 100 -6.772 7.879 -8.078 1.00 0.00 N ATOM 1079 CA LYS A 100 -8.095 8.172 -7.459 1.00 0.00 C ATOM 1080 C LYS A 100 -8.102 9.607 -6.927 1.00 0.00 C ATOM 1081 O LYS A 100 -9.140 10.225 -6.794 1.00 0.00 O ATOM 1082 CB LYS A 100 -8.344 7.199 -6.304 1.00 0.00 C ATOM 1083 CG LYS A 100 -8.162 5.763 -6.799 1.00 0.00 C ATOM 1084 CD LYS A 100 -8.450 4.788 -5.655 1.00 0.00 C ATOM 1085 CE LYS A 100 -8.778 3.409 -6.230 1.00 0.00 C ATOM 1086 NZ LYS A 100 -10.186 3.397 -6.719 1.00 0.00 N ATOM 0 H LYS A 100 -6.044 7.582 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.880 8.057 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.653 7.404 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.352 7.335 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.833 5.568 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.146 5.620 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.586 4.722 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.284 5.151 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.096 3.172 -7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.640 2.643 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.486 2.416 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.805 3.831 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.250 3.936 -7.606 1.00 0.00 H new ATOM 1100 N GLY A 101 -6.952 10.142 -6.621 1.00 0.00 N ATOM 1101 CA GLY A 101 -6.894 11.537 -6.098 1.00 0.00 C ATOM 1102 C GLY A 101 -6.673 11.507 -4.585 1.00 0.00 C ATOM 1103 O GLY A 101 -6.839 12.499 -3.904 1.00 0.00 O ATOM 0 H GLY A 101 -6.050 9.674 -6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.086 12.085 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.820 12.062 -6.330 1.00 0.00 H new ATOM 1107 N MET A 102 -6.299 10.375 -4.053 1.00 0.00 N ATOM 1108 CA MET A 102 -6.068 10.283 -2.584 1.00 0.00 C ATOM 1109 C MET A 102 -4.725 10.929 -2.237 1.00 0.00 C ATOM 1110 O MET A 102 -3.792 10.899 -3.015 1.00 0.00 O ATOM 1111 CB MET A 102 -6.051 8.813 -2.161 1.00 0.00 C ATOM 1112 CG MET A 102 -7.484 8.333 -1.925 1.00 0.00 C ATOM 1113 SD MET A 102 -7.576 7.461 -0.341 1.00 0.00 S ATOM 1114 CE MET A 102 -7.432 5.781 -0.998 1.00 0.00 C ATOM 0 H MET A 102 -6.144 9.511 -4.572 1.00 0.00 H new ATOM 0 HA MET A 102 -6.868 10.803 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.576 8.207 -2.932 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.461 8.692 -1.252 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.168 9.182 -1.925 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.796 7.673 -2.734 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.412 5.068 -0.173 1.00 0.00 H new ATOM 0 HE2 MET A 102 -8.285 5.568 -1.642 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.511 5.694 -1.575 1.00 0.00 H new ATOM 1124 N LYS A 103 -4.619 11.513 -1.075 1.00 0.00 N ATOM 1125 CA LYS A 103 -3.336 12.160 -0.680 1.00 0.00 C ATOM 1126 C LYS A 103 -2.361 11.093 -0.179 1.00 0.00 C ATOM 1127 O LYS A 103 -2.283 10.815 1.002 1.00 0.00 O ATOM 1128 CB LYS A 103 -3.598 13.176 0.434 1.00 0.00 C ATOM 1129 CG LYS A 103 -3.463 14.593 -0.126 1.00 0.00 C ATOM 1130 CD LYS A 103 -4.852 15.156 -0.432 1.00 0.00 C ATOM 1131 CE LYS A 103 -4.764 16.114 -1.622 1.00 0.00 C ATOM 1132 NZ LYS A 103 -6.015 16.919 -1.705 1.00 0.00 N ATOM 0 H LYS A 103 -5.365 11.570 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 103 -2.906 12.670 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.596 13.030 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.891 13.027 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.950 15.232 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.856 14.581 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.544 14.344 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.245 15.678 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.902 16.772 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.618 15.552 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.956 17.570 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.829 16.284 -1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.135 17.466 -0.828 1.00 0.00 H new ATOM 1146 N VAL A 104 -1.615 10.493 -1.066 1.00 0.00 N ATOM 1147 CA VAL A 104 -0.646 9.445 -0.639 1.00 0.00 C ATOM 1148 C VAL A 104 0.670 10.106 -0.223 1.00 0.00 C ATOM 1149 O VAL A 104 1.190 10.962 -0.912 1.00 0.00 O ATOM 1150 CB VAL A 104 -0.389 8.484 -1.801 1.00 0.00 C ATOM 1151 CG1 VAL A 104 0.334 9.225 -2.927 1.00 0.00 C ATOM 1152 CG2 VAL A 104 0.480 7.321 -1.316 1.00 0.00 C ATOM 0 H VAL A 104 -1.635 10.683 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.058 8.892 0.205 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.339 8.100 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.517 8.540 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.284 10.054 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.285 9.610 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.664 6.635 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.430 7.706 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.035 6.792 -0.514 1.00 0.00 H new ATOM 1162 N LYS A 105 1.212 9.717 0.898 1.00 0.00 N ATOM 1163 CA LYS A 105 2.493 10.324 1.356 1.00 0.00 C ATOM 1164 C LYS A 105 3.645 9.359 1.071 1.00 0.00 C ATOM 1165 O LYS A 105 4.035 8.575 1.914 1.00 0.00 O ATOM 1166 CB LYS A 105 2.419 10.599 2.860 1.00 0.00 C ATOM 1167 CG LYS A 105 2.545 12.103 3.111 1.00 0.00 C ATOM 1168 CD LYS A 105 2.833 12.351 4.593 1.00 0.00 C ATOM 1169 CE LYS A 105 2.621 13.832 4.913 1.00 0.00 C ATOM 1170 NZ LYS A 105 2.260 13.982 6.351 1.00 0.00 N ATOM 0 H LYS A 105 0.823 9.005 1.516 1.00 0.00 H new ATOM 0 HA LYS A 105 2.662 11.260 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.475 10.230 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.216 10.065 3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.346 12.519 2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.625 12.610 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 105 2.177 11.737 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 105 3.856 12.060 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.528 14.396 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.831 14.242 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.116 14.988 6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.384 13.456 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.028 13.606 6.943 1.00 0.00 H new ATOM 1184 N LEU A 106 4.194 9.408 -0.112 1.00 0.00 N ATOM 1185 CA LEU A 106 5.320 8.493 -0.450 1.00 0.00 C ATOM 1186 C LEU A 106 6.408 8.605 0.621 1.00 0.00 C ATOM 1187 O LEU A 106 7.249 9.480 0.575 1.00 0.00 O ATOM 1188 CB LEU A 106 5.902 8.880 -1.811 1.00 0.00 C ATOM 1189 CG LEU A 106 6.746 7.726 -2.353 1.00 0.00 C ATOM 1190 CD1 LEU A 106 5.860 6.788 -3.176 1.00 0.00 C ATOM 1191 CD2 LEU A 106 7.860 8.284 -3.242 1.00 0.00 C ATOM 0 H LEU A 106 3.911 10.042 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 106 4.954 7.467 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.098 9.115 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.513 9.777 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 106 7.185 7.175 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.462 5.965 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.065 6.391 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.421 7.339 -4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.463 7.462 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.420 8.835 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.491 8.953 -2.657 1.00 0.00 H new ATOM 1203 N ALA A 107 6.397 7.726 1.585 1.00 0.00 N ATOM 1204 CA ALA A 107 7.430 7.784 2.657 1.00 0.00 C ATOM 1205 C ALA A 107 8.580 6.836 2.309 1.00 0.00 C ATOM 1206 O ALA A 107 8.377 5.781 1.743 1.00 0.00 O ATOM 1207 CB ALA A 107 6.807 7.362 3.990 1.00 0.00 C ATOM 0 H ALA A 107 5.718 6.971 1.677 1.00 0.00 H new ATOM 0 HA ALA A 107 7.810 8.802 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 107 7.563 7.404 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.988 8.037 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.426 6.344 3.908 1.00 0.00 H new ATOM 1213 N GLY A 108 9.786 7.204 2.644 1.00 0.00 N ATOM 1214 CA GLY A 108 10.947 6.323 2.332 1.00 0.00 C ATOM 1215 C GLY A 108 12.008 6.469 3.424 1.00 0.00 C ATOM 1216 O GLY A 108 12.116 5.648 4.313 1.00 0.00 O ATOM 0 H GLY A 108 10.018 8.076 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.621 5.285 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.369 6.589 1.363 1.00 0.00 H new ATOM 1220 N GLY A 109 12.794 7.510 3.365 1.00 0.00 N ATOM 1221 CA GLY A 109 13.848 7.707 4.400 1.00 0.00 C ATOM 1222 C GLY A 109 13.256 8.457 5.595 1.00 0.00 C ATOM 1223 O GLY A 109 12.060 8.457 5.811 1.00 0.00 O ATOM 0 H GLY A 109 12.752 8.232 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 109 14.242 6.743 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 109 14.683 8.269 3.982 1.00 0.00 H new ATOM 1227 N LEU A 110 14.084 9.097 6.375 1.00 0.00 N ATOM 1228 CA LEU A 110 13.568 9.846 7.555 1.00 0.00 C ATOM 1229 C LEU A 110 14.707 10.649 8.187 1.00 0.00 C ATOM 1230 O LEU A 110 15.863 10.464 7.865 1.00 0.00 O ATOM 1231 CB LEU A 110 13.010 8.858 8.582 1.00 0.00 C ATOM 1232 CG LEU A 110 11.555 9.211 8.892 1.00 0.00 C ATOM 1233 CD1 LEU A 110 10.704 7.940 8.869 1.00 0.00 C ATOM 1234 CD2 LEU A 110 11.471 9.854 10.278 1.00 0.00 C ATOM 0 H LEU A 110 15.095 9.133 6.246 1.00 0.00 H new ATOM 0 HA LEU A 110 12.777 10.525 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 110 13.074 7.841 8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.605 8.891 9.494 1.00 0.00 H new ATOM 0 HG LEU A 110 11.184 9.910 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.667 8.192 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 110 10.763 7.480 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.075 7.240 9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.434 10.106 10.500 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.843 9.154 11.027 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.076 10.760 10.296 1.00 0.00 H new ATOM 1246 N GLU A 111 14.389 11.540 9.086 1.00 0.00 N ATOM 1247 CA GLU A 111 15.454 12.354 9.738 1.00 0.00 C ATOM 1248 C GLU A 111 15.038 12.682 11.173 1.00 0.00 C ATOM 1249 O GLU A 111 13.865 12.540 11.477 1.00 0.00 O ATOM 1250 CB GLU A 111 15.653 13.653 8.955 1.00 0.00 C ATOM 1251 CG GLU A 111 16.790 14.460 9.585 1.00 0.00 C ATOM 1252 CD GLU A 111 16.989 15.760 8.803 1.00 0.00 C ATOM 1253 OE1 GLU A 111 16.266 15.967 7.843 1.00 0.00 O ATOM 1254 OE2 GLU A 111 17.862 16.526 9.178 1.00 0.00 O ATOM 0 H GLU A 111 13.438 11.739 9.397 1.00 0.00 H new ATOM 0 HA GLU A 111 16.387 11.790 9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.885 13.430 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.733 14.237 8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 111 16.559 14.682 10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 111 17.710 13.876 9.580 1.00 0.00 H new TER 1261 GLU A 111