USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0126 X(o=-0.013,f=0.026) USER MOD Single : A 15 SER OG : rot 180:sc=-0.000631 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= -0.214 (180deg=-2.39!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.072) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.609! F(o=-1.9,f=-0.61!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 52 GLN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 53 SER OG : rot -35:sc= 0.985 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1 K(o=-1,f=-1.7!) USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0136 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.251 -12.763 0.920 1.00 0.00 N ATOM 20 CA ALA A 3 -1.598 -13.258 -0.401 1.00 0.00 C ATOM 21 C ALA A 3 -0.392 -13.110 -1.329 1.00 0.00 C ATOM 22 O ALA A 3 -0.363 -13.690 -2.414 1.00 0.00 O ATOM 23 CB ALA A 3 -2.829 -12.511 -0.919 1.00 0.00 C ATOM 0 HA ALA A 3 -1.853 -14.317 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.089 -12.882 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.666 -12.673 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.610 -11.445 -0.977 1.00 0.00 H new ATOM 29 N GLY A 4 0.576 -12.330 -0.871 1.00 0.00 N ATOM 30 CA GLY A 4 1.782 -12.098 -1.647 1.00 0.00 C ATOM 31 C GLY A 4 2.313 -10.680 -1.424 1.00 0.00 C ATOM 32 O GLY A 4 1.896 -9.997 -0.491 1.00 0.00 O ATOM 0 H GLY A 4 0.549 -11.850 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.545 -12.824 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.572 -12.249 -2.706 1.00 0.00 H new ATOM 36 N LYS A 5 3.226 -10.281 -2.297 1.00 0.00 N ATOM 37 CA LYS A 5 3.818 -8.957 -2.208 1.00 0.00 C ATOM 38 C LYS A 5 3.121 -8.023 -3.200 1.00 0.00 C ATOM 39 O LYS A 5 2.781 -8.432 -4.309 1.00 0.00 O ATOM 40 CB LYS A 5 5.334 -9.035 -2.398 1.00 0.00 C ATOM 41 CG LYS A 5 5.990 -9.815 -1.257 1.00 0.00 C ATOM 42 CD LYS A 5 7.455 -10.123 -1.574 1.00 0.00 C ATOM 43 CE LYS A 5 8.293 -10.185 -0.295 1.00 0.00 C ATOM 44 NZ LYS A 5 9.706 -10.483 -0.615 1.00 0.00 N ATOM 0 H LYS A 5 3.570 -10.851 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 5 3.665 -8.537 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.561 -9.516 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.751 -8.029 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.927 -9.238 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.447 -10.745 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.524 -11.073 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.856 -9.357 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.227 -9.236 0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.895 -10.951 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.260 -10.521 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.766 -11.400 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.087 -9.738 -1.232 1.00 0.00 H new ATOM 58 N PHE A 6 2.930 -6.786 -2.764 1.00 0.00 N ATOM 59 CA PHE A 6 2.280 -5.791 -3.600 1.00 0.00 C ATOM 60 C PHE A 6 3.108 -4.506 -3.667 1.00 0.00 C ATOM 61 O PHE A 6 4.028 -4.314 -2.873 1.00 0.00 O ATOM 62 CB PHE A 6 0.928 -5.479 -2.955 1.00 0.00 C ATOM 63 CG PHE A 6 -0.046 -6.660 -2.952 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.277 -7.808 -2.299 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.236 -6.559 -3.603 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.628 -8.902 -2.297 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.142 -7.654 -3.601 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.818 -8.802 -2.947 1.00 0.00 C ATOM 0 H PHE A 6 3.214 -6.451 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 6 2.168 -6.173 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.093 -5.154 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.469 -4.643 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.222 -7.888 -1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.492 -5.647 -4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.371 -9.814 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.087 -7.575 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.506 -9.634 -2.944 1.00 0.00 H new ATOM 78 N ILE A 7 2.752 -3.660 -4.623 1.00 0.00 N ATOM 79 CA ILE A 7 3.450 -2.399 -4.803 1.00 0.00 C ATOM 80 C ILE A 7 2.434 -1.298 -5.115 1.00 0.00 C ATOM 81 O ILE A 7 1.936 -1.206 -6.237 1.00 0.00 O ATOM 82 CB ILE A 7 4.547 -2.541 -5.862 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.994 -3.997 -5.995 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.720 -1.604 -5.564 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.063 -4.145 -7.080 1.00 0.00 C ATOM 0 H ILE A 7 1.990 -3.823 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 7 3.960 -2.111 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 7 4.134 -2.243 -6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.387 -4.349 -5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.136 -4.624 -6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.485 -1.724 -6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.369 -0.572 -5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.142 -1.848 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.364 -5.190 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.658 -3.815 -8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.929 -3.536 -6.823 1.00 0.00 H new ATOM 97 N VAL A 8 2.155 -0.490 -4.102 1.00 0.00 N ATOM 98 CA VAL A 8 1.208 0.600 -4.253 1.00 0.00 C ATOM 99 C VAL A 8 1.960 1.933 -4.218 1.00 0.00 C ATOM 100 O VAL A 8 3.091 1.998 -3.738 1.00 0.00 O ATOM 101 CB VAL A 8 0.119 0.500 -3.184 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.199 -0.962 -2.862 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.518 1.266 -1.921 1.00 0.00 C ATOM 0 H VAL A 8 2.569 -0.569 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 8 0.704 0.536 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.785 0.960 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.976 -1.006 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.547 -1.466 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.699 -1.457 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.274 1.179 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.441 0.849 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.671 2.317 -2.166 1.00 0.00 H new ATOM 113 N ILE A 9 1.301 2.961 -4.731 1.00 0.00 N ATOM 114 CA ILE A 9 1.893 4.288 -4.763 1.00 0.00 C ATOM 115 C ILE A 9 0.820 5.329 -4.439 1.00 0.00 C ATOM 116 O ILE A 9 -0.368 5.086 -4.645 1.00 0.00 O ATOM 117 CB ILE A 9 2.599 4.527 -6.099 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.109 4.679 -5.903 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.992 5.725 -6.832 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.817 3.330 -6.034 1.00 0.00 C ATOM 0 H ILE A 9 0.363 2.902 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 9 2.666 4.379 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 9 2.444 3.651 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.507 5.376 -6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.311 5.106 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.512 5.874 -7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.936 5.537 -7.023 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.096 6.619 -6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.889 3.466 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.434 2.643 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.633 2.918 -7.026 1.00 0.00 H new ATOM 132 N PHE A 10 1.276 6.467 -3.936 1.00 0.00 N ATOM 133 CA PHE A 10 0.370 7.545 -3.582 1.00 0.00 C ATOM 134 C PHE A 10 0.600 8.769 -4.471 1.00 0.00 C ATOM 135 O PHE A 10 1.717 9.009 -4.926 1.00 0.00 O ATOM 136 CB PHE A 10 0.669 7.921 -2.129 1.00 0.00 C ATOM 137 CG PHE A 10 0.673 6.732 -1.167 1.00 0.00 C ATOM 138 CD1 PHE A 10 -0.489 6.089 -0.874 1.00 0.00 C ATOM 139 CD2 PHE A 10 1.839 6.317 -0.604 1.00 0.00 C ATOM 140 CE1 PHE A 10 -0.485 4.986 0.019 1.00 0.00 C ATOM 141 CE2 PHE A 10 1.844 5.212 0.289 1.00 0.00 C ATOM 142 CZ PHE A 10 0.681 4.570 0.581 1.00 0.00 C ATOM 0 H PHE A 10 2.262 6.665 -3.765 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.663 7.222 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.640 8.414 -2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.072 8.645 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.415 6.418 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.762 6.828 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.408 4.477 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.770 4.882 0.736 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.684 3.730 1.259 1.00 0.00 H new ATOM 152 N LYS A 11 -0.475 9.511 -4.691 1.00 0.00 N ATOM 153 CA LYS A 11 -0.404 10.705 -5.517 1.00 0.00 C ATOM 154 C LYS A 11 0.736 11.596 -5.022 1.00 0.00 C ATOM 155 O LYS A 11 1.452 11.233 -4.089 1.00 0.00 O ATOM 156 CB LYS A 11 -1.761 11.409 -5.558 1.00 0.00 C ATOM 157 CG LYS A 11 -2.236 11.769 -4.148 1.00 0.00 C ATOM 158 CD LYS A 11 -3.718 12.145 -4.147 1.00 0.00 C ATOM 159 CE LYS A 11 -3.984 13.328 -5.081 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.407 13.360 -5.485 1.00 0.00 N ATOM 0 H LYS A 11 -1.400 9.309 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.176 10.441 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.687 12.313 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.495 10.763 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.071 10.925 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.646 12.601 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.314 11.288 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.032 12.399 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.721 14.260 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.351 13.251 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.570 14.169 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.647 12.478 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.006 13.456 -4.640 1.00 0.00 H new ATOM 174 N ASN A 12 0.870 12.745 -5.667 1.00 0.00 N ATOM 175 CA ASN A 12 1.912 13.691 -5.304 1.00 0.00 C ATOM 176 C ASN A 12 1.318 14.776 -4.404 1.00 0.00 C ATOM 177 O ASN A 12 1.700 15.941 -4.495 1.00 0.00 O ATOM 178 CB ASN A 12 2.495 14.371 -6.544 1.00 0.00 C ATOM 179 CG ASN A 12 4.011 14.533 -6.419 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.527 15.067 -5.451 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.695 14.044 -7.450 1.00 0.00 N ATOM 0 H ASN A 12 0.274 13.043 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 12 2.701 13.143 -4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.261 13.782 -7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.031 15.348 -6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.713 14.104 -7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.201 13.609 -8.229 1.00 0.00 H new ATOM 188 N ASP A 13 0.393 14.355 -3.555 1.00 0.00 N ATOM 189 CA ASP A 13 -0.258 15.276 -2.639 1.00 0.00 C ATOM 190 C ASP A 13 -0.153 14.731 -1.213 1.00 0.00 C ATOM 191 O ASP A 13 0.171 15.469 -0.285 1.00 0.00 O ATOM 192 CB ASP A 13 -1.743 15.433 -2.977 1.00 0.00 C ATOM 193 CG ASP A 13 -2.168 16.846 -3.376 1.00 0.00 C ATOM 194 OD1 ASP A 13 -1.311 17.560 -3.941 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.343 17.183 -3.108 1.00 0.00 O ATOM 0 H ASP A 13 0.078 13.387 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 13 0.236 16.244 -2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.989 14.752 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.332 15.123 -2.114 1.00 0.00 H new ATOM 200 N VAL A 14 -0.434 13.443 -1.084 1.00 0.00 N ATOM 201 CA VAL A 14 -0.375 12.790 0.212 1.00 0.00 C ATOM 202 C VAL A 14 0.828 13.323 0.993 1.00 0.00 C ATOM 203 O VAL A 14 1.844 13.687 0.402 1.00 0.00 O ATOM 204 CB VAL A 14 -0.346 11.271 0.034 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.455 10.881 -1.210 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.208 10.582 1.281 1.00 0.00 C ATOM 0 H VAL A 14 -0.703 12.834 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.268 13.018 0.794 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.372 10.931 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.460 9.796 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.003 11.328 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.479 11.241 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.217 9.503 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.224 10.930 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.421 10.821 2.138 1.00 0.00 H new ATOM 216 N SER A 15 0.675 13.351 2.308 1.00 0.00 N ATOM 217 CA SER A 15 1.737 13.833 3.176 1.00 0.00 C ATOM 218 C SER A 15 2.629 12.669 3.607 1.00 0.00 C ATOM 219 O SER A 15 2.384 11.523 3.233 1.00 0.00 O ATOM 220 CB SER A 15 1.164 14.547 4.402 1.00 0.00 C ATOM 221 OG SER A 15 1.037 13.669 5.519 1.00 0.00 O ATOM 0 H SER A 15 -0.169 13.048 2.795 1.00 0.00 H new ATOM 0 HA SER A 15 2.336 14.552 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.810 15.383 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.188 14.964 4.156 1.00 0.00 H new ATOM 0 HG SER A 15 0.670 14.162 6.282 1.00 0.00 H new ATOM 227 N GLU A 16 3.646 13.002 4.387 1.00 0.00 N ATOM 228 CA GLU A 16 4.578 11.997 4.874 1.00 0.00 C ATOM 229 C GLU A 16 3.939 11.185 6.002 1.00 0.00 C ATOM 230 O GLU A 16 3.864 9.959 5.923 1.00 0.00 O ATOM 231 CB GLU A 16 5.887 12.641 5.335 1.00 0.00 C ATOM 232 CG GLU A 16 6.997 11.595 5.460 1.00 0.00 C ATOM 233 CD GLU A 16 8.184 11.946 4.562 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.929 12.247 3.376 1.00 0.00 O ATOM 235 OE2 GLU A 16 9.321 11.903 5.080 1.00 0.00 O ATOM 0 H GLU A 16 3.846 13.954 4.695 1.00 0.00 H new ATOM 0 HA GLU A 16 4.814 11.320 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.187 13.412 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.736 13.133 6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.327 11.532 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.609 10.613 5.189 1.00 0.00 H new ATOM 242 N ASP A 17 3.496 11.899 7.026 1.00 0.00 N ATOM 243 CA ASP A 17 2.867 11.260 8.168 1.00 0.00 C ATOM 244 C ASP A 17 1.867 10.212 7.675 1.00 0.00 C ATOM 245 O ASP A 17 2.041 9.018 7.918 1.00 0.00 O ATOM 246 CB ASP A 17 2.104 12.277 9.018 1.00 0.00 C ATOM 247 CG ASP A 17 2.494 12.306 10.498 1.00 0.00 C ATOM 248 OD1 ASP A 17 3.714 12.258 10.764 1.00 0.00 O ATOM 249 OD2 ASP A 17 1.564 12.377 11.329 1.00 0.00 O ATOM 0 H ASP A 17 3.561 12.915 7.088 1.00 0.00 H new ATOM 0 HA ASP A 17 3.651 10.802 8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.261 13.270 8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.038 12.064 8.943 1.00 0.00 H new ATOM 254 N LYS A 18 0.842 10.696 6.990 1.00 0.00 N ATOM 255 CA LYS A 18 -0.186 9.816 6.459 1.00 0.00 C ATOM 256 C LYS A 18 0.477 8.627 5.761 1.00 0.00 C ATOM 257 O LYS A 18 0.073 7.482 5.961 1.00 0.00 O ATOM 258 CB LYS A 18 -1.149 10.597 5.562 1.00 0.00 C ATOM 259 CG LYS A 18 -2.519 10.745 6.224 1.00 0.00 C ATOM 260 CD LYS A 18 -3.558 9.852 5.542 1.00 0.00 C ATOM 261 CE LYS A 18 -4.582 9.332 6.552 1.00 0.00 C ATOM 262 NZ LYS A 18 -5.262 8.126 6.027 1.00 0.00 N ATOM 0 H LYS A 18 0.701 11.686 6.790 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.796 9.412 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.735 11.583 5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.257 10.085 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.447 10.484 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.840 11.785 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.067 10.414 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.059 9.012 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.086 9.096 7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.318 10.108 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.954 7.786 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.752 8.362 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.558 7.382 5.846 1.00 0.00 H new ATOM 276 N ILE A 19 1.484 8.938 4.959 1.00 0.00 N ATOM 277 CA ILE A 19 2.207 7.909 4.232 1.00 0.00 C ATOM 278 C ILE A 19 2.661 6.823 5.209 1.00 0.00 C ATOM 279 O ILE A 19 2.304 5.656 5.056 1.00 0.00 O ATOM 280 CB ILE A 19 3.349 8.526 3.423 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.115 8.352 1.922 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.700 7.959 3.863 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.248 8.988 1.113 1.00 0.00 C ATOM 0 H ILE A 19 1.817 9.888 4.796 1.00 0.00 H new ATOM 0 HA ILE A 19 1.555 7.429 3.503 1.00 0.00 H new ATOM 0 HB ILE A 19 3.369 9.597 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.043 7.291 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.165 8.807 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.495 8.414 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.861 8.179 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.708 6.880 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.057 8.850 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.301 10.053 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.194 8.514 1.376 1.00 0.00 H new ATOM 295 N ARG A 20 3.443 7.246 6.192 1.00 0.00 N ATOM 296 CA ARG A 20 3.951 6.325 7.195 1.00 0.00 C ATOM 297 C ARG A 20 2.792 5.605 7.888 1.00 0.00 C ATOM 298 O ARG A 20 2.923 4.448 8.284 1.00 0.00 O ATOM 299 CB ARG A 20 4.788 7.058 8.243 1.00 0.00 C ATOM 300 CG ARG A 20 6.202 7.329 7.726 1.00 0.00 C ATOM 301 CD ARG A 20 6.488 8.831 7.670 1.00 0.00 C ATOM 302 NE ARG A 20 7.928 9.064 7.419 1.00 0.00 N ATOM 303 CZ ARG A 20 8.888 8.885 8.336 1.00 0.00 C ATOM 304 NH1 ARG A 20 8.568 8.472 9.570 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.169 9.120 8.020 1.00 0.00 N ATOM 0 H ARG A 20 3.737 8.215 6.315 1.00 0.00 H new ATOM 0 HA ARG A 20 4.584 5.597 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.306 8.000 8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.838 6.462 9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.930 6.841 8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.319 6.896 6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.894 9.293 6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.193 9.301 8.608 1.00 0.00 H new ATOM 0 HE ARG A 20 8.207 9.380 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.593 8.294 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.299 8.336 10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.413 9.435 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.900 8.984 8.718 1.00 0.00 H new ATOM 319 N GLU A 21 1.684 6.321 8.015 1.00 0.00 N ATOM 320 CA GLU A 21 0.504 5.765 8.655 1.00 0.00 C ATOM 321 C GLU A 21 -0.048 4.600 7.830 1.00 0.00 C ATOM 322 O GLU A 21 -0.036 3.455 8.280 1.00 0.00 O ATOM 323 CB GLU A 21 -0.563 6.841 8.867 1.00 0.00 C ATOM 324 CG GLU A 21 -0.224 7.720 10.073 1.00 0.00 C ATOM 325 CD GLU A 21 -1.412 7.817 11.031 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.488 8.243 10.559 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.217 7.464 12.214 1.00 0.00 O ATOM 0 H GLU A 21 1.579 7.281 7.686 1.00 0.00 H new ATOM 0 HA GLU A 21 0.791 5.386 9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.643 7.459 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.534 6.370 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.638 7.308 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.057 8.717 9.734 1.00 0.00 H new ATOM 334 N THR A 22 -0.519 4.933 6.638 1.00 0.00 N ATOM 335 CA THR A 22 -1.074 3.929 5.746 1.00 0.00 C ATOM 336 C THR A 22 -0.256 2.638 5.821 1.00 0.00 C ATOM 337 O THR A 22 -0.815 1.543 5.803 1.00 0.00 O ATOM 338 CB THR A 22 -1.136 4.528 4.340 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.242 5.425 4.392 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.541 3.499 3.282 1.00 0.00 C ATOM 0 H THR A 22 -0.528 5.884 6.269 1.00 0.00 H new ATOM 0 HA THR A 22 -2.086 3.653 6.042 1.00 0.00 H new ATOM 0 HB THR A 22 -0.164 4.950 4.083 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.353 5.859 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.570 3.976 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.815 2.686 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.527 3.101 3.521 1.00 0.00 H new ATOM 348 N LYS A 23 1.055 2.809 5.902 1.00 0.00 N ATOM 349 CA LYS A 23 1.956 1.672 5.979 1.00 0.00 C ATOM 350 C LYS A 23 1.714 0.924 7.293 1.00 0.00 C ATOM 351 O LYS A 23 1.435 -0.274 7.287 1.00 0.00 O ATOM 352 CB LYS A 23 3.405 2.122 5.786 1.00 0.00 C ATOM 353 CG LYS A 23 3.935 1.693 4.417 1.00 0.00 C ATOM 354 CD LYS A 23 5.071 2.608 3.956 1.00 0.00 C ATOM 355 CE LYS A 23 4.524 3.929 3.412 1.00 0.00 C ATOM 356 NZ LYS A 23 5.417 4.466 2.362 1.00 0.00 N ATOM 0 H LYS A 23 1.515 3.719 5.916 1.00 0.00 H new ATOM 0 HA LYS A 23 1.754 0.970 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.469 3.206 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.029 1.696 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.290 0.664 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.126 1.716 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.745 2.805 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.656 2.107 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.525 3.775 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.430 4.652 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.741 5.416 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.239 3.839 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.900 4.521 1.461 1.00 0.00 H new ATOM 370 N ASP A 24 1.829 1.663 8.386 1.00 0.00 N ATOM 371 CA ASP A 24 1.626 1.084 9.704 1.00 0.00 C ATOM 372 C ASP A 24 0.211 0.512 9.793 1.00 0.00 C ATOM 373 O ASP A 24 0.004 -0.557 10.366 1.00 0.00 O ATOM 374 CB ASP A 24 1.778 2.142 10.799 1.00 0.00 C ATOM 375 CG ASP A 24 3.128 2.140 11.519 1.00 0.00 C ATOM 376 OD1 ASP A 24 4.069 1.537 10.958 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.190 2.740 12.614 1.00 0.00 O ATOM 0 H ASP A 24 2.060 2.657 8.387 1.00 0.00 H new ATOM 0 HA ASP A 24 2.374 0.304 9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.621 3.126 10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.990 1.995 11.537 1.00 0.00 H new ATOM 382 N GLU A 25 -0.728 1.248 9.217 1.00 0.00 N ATOM 383 CA GLU A 25 -2.119 0.826 9.224 1.00 0.00 C ATOM 384 C GLU A 25 -2.239 -0.615 8.728 1.00 0.00 C ATOM 385 O GLU A 25 -3.001 -1.405 9.284 1.00 0.00 O ATOM 386 CB GLU A 25 -2.982 1.770 8.383 1.00 0.00 C ATOM 387 CG GLU A 25 -3.614 2.858 9.254 1.00 0.00 C ATOM 388 CD GLU A 25 -4.929 2.374 9.867 1.00 0.00 C ATOM 389 OE1 GLU A 25 -5.839 2.047 9.075 1.00 0.00 O ATOM 390 OE2 GLU A 25 -4.994 2.340 11.115 1.00 0.00 O ATOM 0 H GLU A 25 -0.553 2.134 8.742 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.486 0.868 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.372 2.230 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.764 1.202 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.922 3.142 10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.795 3.750 8.654 1.00 0.00 H new ATOM 397 N VAL A 26 -1.476 -0.915 7.687 1.00 0.00 N ATOM 398 CA VAL A 26 -1.488 -2.249 7.110 1.00 0.00 C ATOM 399 C VAL A 26 -0.743 -3.209 8.040 1.00 0.00 C ATOM 400 O VAL A 26 -1.153 -4.355 8.211 1.00 0.00 O ATOM 401 CB VAL A 26 -0.902 -2.212 5.697 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.514 -2.790 5.674 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.811 -2.946 4.708 1.00 0.00 C ATOM 0 H VAL A 26 -0.846 -0.257 7.228 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.510 -2.615 7.015 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.842 -1.169 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.906 -2.751 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.156 -2.206 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.490 -3.825 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.372 -2.905 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.918 -3.986 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.791 -2.470 4.693 1.00 0.00 H new ATOM 413 N ILE A 27 0.338 -2.704 8.616 1.00 0.00 N ATOM 414 CA ILE A 27 1.143 -3.502 9.525 1.00 0.00 C ATOM 415 C ILE A 27 0.254 -4.042 10.647 1.00 0.00 C ATOM 416 O ILE A 27 0.163 -5.253 10.843 1.00 0.00 O ATOM 417 CB ILE A 27 2.344 -2.698 10.025 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.165 -2.152 8.854 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.200 -3.528 10.985 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.329 -3.085 8.518 1.00 0.00 C ATOM 0 H ILE A 27 0.675 -1.752 8.471 1.00 0.00 H new ATOM 0 HA ILE A 27 1.561 -4.364 9.006 1.00 0.00 H new ATOM 0 HB ILE A 27 1.970 -1.841 10.585 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.525 -2.035 7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.548 -1.163 9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.047 -2.932 11.325 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.598 -3.827 11.843 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.565 -4.417 10.471 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.896 -2.673 7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.981 -3.181 9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.941 -4.066 8.245 1.00 0.00 H new ATOM 432 N ALA A 28 -0.378 -3.118 11.354 1.00 0.00 N ATOM 433 CA ALA A 28 -1.256 -3.486 12.452 1.00 0.00 C ATOM 434 C ALA A 28 -2.445 -4.279 11.905 1.00 0.00 C ATOM 435 O ALA A 28 -2.840 -5.290 12.482 1.00 0.00 O ATOM 436 CB ALA A 28 -1.692 -2.225 13.202 1.00 0.00 C ATOM 0 H ALA A 28 -0.300 -2.115 11.188 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.733 -4.125 13.164 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.351 -2.501 14.026 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.813 -1.714 13.596 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.223 -1.561 12.520 1.00 0.00 H new ATOM 442 N GLU A 29 -2.982 -3.789 10.797 1.00 0.00 N ATOM 443 CA GLU A 29 -4.117 -4.438 10.165 1.00 0.00 C ATOM 444 C GLU A 29 -3.782 -5.896 9.841 1.00 0.00 C ATOM 445 O GLU A 29 -4.310 -6.813 10.467 1.00 0.00 O ATOM 446 CB GLU A 29 -4.552 -3.683 8.908 1.00 0.00 C ATOM 447 CG GLU A 29 -5.761 -4.356 8.255 1.00 0.00 C ATOM 448 CD GLU A 29 -6.448 -3.410 7.267 1.00 0.00 C ATOM 449 OE1 GLU A 29 -5.776 -3.026 6.286 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.631 -3.090 7.518 1.00 0.00 O ATOM 0 H GLU A 29 -2.651 -2.950 10.321 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.953 -4.424 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.800 -2.653 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.726 -3.644 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.442 -5.260 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.470 -4.663 9.024 1.00 0.00 H new ATOM 457 N GLY A 30 -2.905 -6.063 8.861 1.00 0.00 N ATOM 458 CA GLY A 30 -2.493 -7.394 8.445 1.00 0.00 C ATOM 459 C GLY A 30 -1.228 -7.331 7.587 1.00 0.00 C ATOM 460 O GLY A 30 -0.173 -7.817 7.994 1.00 0.00 O ATOM 0 H GLY A 30 -2.469 -5.300 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.311 -8.014 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.296 -7.868 7.881 1.00 0.00 H new ATOM 464 N GLY A 31 -1.374 -6.731 6.415 1.00 0.00 N ATOM 465 CA GLY A 31 -0.256 -6.599 5.497 1.00 0.00 C ATOM 466 C GLY A 31 1.014 -6.172 6.235 1.00 0.00 C ATOM 467 O GLY A 31 0.955 -5.769 7.397 1.00 0.00 O ATOM 0 H GLY A 31 -2.250 -6.331 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.084 -7.548 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.498 -5.866 4.728 1.00 0.00 H new ATOM 471 N THR A 32 2.132 -6.274 5.533 1.00 0.00 N ATOM 472 CA THR A 32 3.414 -5.903 6.107 1.00 0.00 C ATOM 473 C THR A 32 4.222 -5.066 5.113 1.00 0.00 C ATOM 474 O THR A 32 3.778 -4.830 3.991 1.00 0.00 O ATOM 475 CB THR A 32 4.127 -7.186 6.540 1.00 0.00 C ATOM 476 OG1 THR A 32 3.071 -8.126 6.718 1.00 0.00 O ATOM 477 CG2 THR A 32 4.755 -7.065 7.931 1.00 0.00 C ATOM 0 H THR A 32 2.177 -6.609 4.571 1.00 0.00 H new ATOM 0 HA THR A 32 3.285 -5.272 6.986 1.00 0.00 H new ATOM 0 HB THR A 32 4.899 -7.436 5.813 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.444 -8.988 6.998 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.248 -8.002 8.190 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.487 -6.258 7.931 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.977 -6.849 8.664 1.00 0.00 H new ATOM 485 N ILE A 33 5.393 -4.638 5.562 1.00 0.00 N ATOM 486 CA ILE A 33 6.266 -3.832 4.727 1.00 0.00 C ATOM 487 C ILE A 33 7.698 -4.360 4.835 1.00 0.00 C ATOM 488 O ILE A 33 8.224 -4.517 5.935 1.00 0.00 O ATOM 489 CB ILE A 33 6.129 -2.350 5.081 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.658 -1.927 5.110 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.957 -1.481 4.134 1.00 0.00 C ATOM 492 CD1 ILE A 33 4.084 -1.846 3.695 1.00 0.00 C ATOM 0 H ILE A 33 5.757 -4.835 6.494 1.00 0.00 H new ATOM 0 HA ILE A 33 5.973 -3.914 3.680 1.00 0.00 H new ATOM 0 HB ILE A 33 6.527 -2.200 6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.082 -2.640 5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.564 -0.958 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.842 -0.432 4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.008 -1.762 4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.613 -1.629 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.038 -1.544 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.647 -1.114 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.158 -2.822 3.216 1.00 0.00 H new ATOM 504 N THR A 34 8.287 -4.621 3.677 1.00 0.00 N ATOM 505 CA THR A 34 9.648 -5.129 3.629 1.00 0.00 C ATOM 506 C THR A 34 10.588 -4.077 3.035 1.00 0.00 C ATOM 507 O THR A 34 11.773 -4.043 3.362 1.00 0.00 O ATOM 508 CB THR A 34 9.635 -6.443 2.846 1.00 0.00 C ATOM 509 OG1 THR A 34 9.432 -6.040 1.494 1.00 0.00 O ATOM 510 CG2 THR A 34 8.410 -7.303 3.167 1.00 0.00 C ATOM 0 H THR A 34 7.847 -4.490 2.766 1.00 0.00 H new ATOM 0 HA THR A 34 10.030 -5.334 4.629 1.00 0.00 H new ATOM 0 HB THR A 34 10.542 -7.006 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.412 -6.831 0.916 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.449 -8.224 2.585 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.404 -7.545 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.503 -6.753 2.915 1.00 0.00 H new ATOM 518 N ASN A 35 10.024 -3.246 2.171 1.00 0.00 N ATOM 519 CA ASN A 35 10.797 -2.197 1.528 1.00 0.00 C ATOM 520 C ASN A 35 9.874 -1.023 1.191 1.00 0.00 C ATOM 521 O ASN A 35 8.667 -1.202 1.037 1.00 0.00 O ATOM 522 CB ASN A 35 11.424 -2.694 0.224 1.00 0.00 C ATOM 523 CG ASN A 35 12.755 -3.400 0.491 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.681 -2.841 1.057 1.00 0.00 O ATOM 525 ND2 ASN A 35 12.800 -4.655 0.051 1.00 0.00 N ATOM 0 H ASN A 35 9.041 -3.278 1.901 1.00 0.00 H new ATOM 0 HA ASN A 35 11.587 -1.892 2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.739 -3.379 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.583 -1.853 -0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.646 -5.210 0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.989 -5.062 -0.415 1.00 0.00 H new ATOM 532 N GLU A 36 10.477 0.152 1.086 1.00 0.00 N ATOM 533 CA GLU A 36 9.726 1.354 0.771 1.00 0.00 C ATOM 534 C GLU A 36 10.426 2.143 -0.337 1.00 0.00 C ATOM 535 O GLU A 36 11.579 1.868 -0.666 1.00 0.00 O ATOM 536 CB GLU A 36 9.525 2.219 2.017 1.00 0.00 C ATOM 537 CG GLU A 36 10.706 3.170 2.221 1.00 0.00 C ATOM 538 CD GLU A 36 11.985 2.394 2.544 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.486 1.716 1.621 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.432 2.498 3.706 1.00 0.00 O ATOM 0 H GLU A 36 11.479 0.297 1.214 1.00 0.00 H new ATOM 0 HA GLU A 36 8.740 1.058 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.604 2.793 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.412 1.580 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.856 3.767 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.483 3.864 3.031 1.00 0.00 H new ATOM 547 N TYR A 37 9.701 3.109 -0.881 1.00 0.00 N ATOM 548 CA TYR A 37 10.239 3.939 -1.946 1.00 0.00 C ATOM 549 C TYR A 37 10.121 5.424 -1.594 1.00 0.00 C ATOM 550 O TYR A 37 9.163 6.085 -1.992 1.00 0.00 O ATOM 551 CB TYR A 37 9.382 3.650 -3.181 1.00 0.00 C ATOM 552 CG TYR A 37 9.513 2.219 -3.706 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.687 1.808 -4.303 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.456 1.341 -3.584 1.00 0.00 C ATOM 555 CE1 TYR A 37 10.810 0.461 -4.798 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.578 -0.006 -4.079 1.00 0.00 C ATOM 557 CZ TYR A 37 9.749 -0.379 -4.661 1.00 0.00 C ATOM 558 OH TYR A 37 9.865 -1.652 -5.129 1.00 0.00 O ATOM 0 H TYR A 37 8.746 3.336 -0.605 1.00 0.00 H new ATOM 0 HA TYR A 37 11.294 3.719 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.337 3.843 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.659 4.344 -3.974 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.514 2.496 -4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.537 1.664 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.723 0.126 -5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.758 -0.704 -3.990 1.00 0.00 H new ATOM 0 HH TYR A 37 9.031 -2.139 -4.963 1.00 0.00 H new ATOM 568 N ASN A 38 11.107 5.904 -0.854 1.00 0.00 N ATOM 569 CA ASN A 38 11.128 7.299 -0.445 1.00 0.00 C ATOM 570 C ASN A 38 11.816 8.133 -1.526 1.00 0.00 C ATOM 571 O ASN A 38 12.990 8.479 -1.395 1.00 0.00 O ATOM 572 CB ASN A 38 11.906 7.479 0.860 1.00 0.00 C ATOM 573 CG ASN A 38 13.240 6.730 0.811 1.00 0.00 C ATOM 574 OD1 ASN A 38 13.192 5.505 1.324 1.00 0.00 O flip ATOM 575 ND2 ASN A 38 14.246 7.233 0.338 1.00 0.00 N flip ATOM 0 H ASN A 38 11.899 5.352 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 38 10.098 7.622 -0.297 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.086 8.539 1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.310 7.113 1.696 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.213 8.180 -0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.120 6.707 0.321 1.00 0.00 H new ATOM 582 N MET A 39 11.058 8.432 -2.571 1.00 0.00 N ATOM 583 CA MET A 39 11.580 9.221 -3.673 1.00 0.00 C ATOM 584 C MET A 39 10.791 10.521 -3.841 1.00 0.00 C ATOM 585 O MET A 39 9.762 10.714 -3.195 1.00 0.00 O ATOM 586 CB MET A 39 11.501 8.405 -4.965 1.00 0.00 C ATOM 587 CG MET A 39 12.893 7.962 -5.421 1.00 0.00 C ATOM 588 SD MET A 39 12.884 6.218 -5.804 1.00 0.00 S ATOM 589 CE MET A 39 14.638 5.893 -5.806 1.00 0.00 C ATOM 0 H MET A 39 10.086 8.142 -2.677 1.00 0.00 H new ATOM 0 HA MET A 39 12.617 9.475 -3.454 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.870 7.530 -4.808 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.031 9.001 -5.747 1.00 0.00 H new ATOM 0 HG2 MET A 39 13.196 8.534 -6.298 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.623 8.167 -4.638 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.813 4.841 -6.030 1.00 0.00 H new ATOM 0 HE2 MET A 39 15.122 6.510 -6.563 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.053 6.129 -4.826 1.00 0.00 H new ATOM 599 N PRO A 40 11.318 11.401 -4.734 1.00 0.00 N ATOM 600 CA PRO A 40 10.674 12.678 -4.994 1.00 0.00 C ATOM 601 C PRO A 40 9.424 12.495 -5.858 1.00 0.00 C ATOM 602 O PRO A 40 8.308 12.720 -5.395 1.00 0.00 O ATOM 603 CB PRO A 40 11.742 13.527 -5.665 1.00 0.00 C ATOM 604 CG PRO A 40 12.791 12.551 -6.174 1.00 0.00 C ATOM 605 CD PRO A 40 12.534 11.205 -5.515 1.00 0.00 C ATOM 0 HA PRO A 40 10.313 13.161 -4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.320 14.110 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.177 14.236 -4.961 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.735 12.462 -7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.793 12.908 -5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.405 10.418 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.369 10.909 -4.880 1.00 0.00 H new ATOM 613 N GLY A 41 9.656 12.090 -7.097 1.00 0.00 N ATOM 614 CA GLY A 41 8.563 11.876 -8.031 1.00 0.00 C ATOM 615 C GLY A 41 7.931 10.497 -7.828 1.00 0.00 C ATOM 616 O GLY A 41 6.992 10.130 -8.532 1.00 0.00 O ATOM 0 H GLY A 41 10.584 11.904 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.807 12.650 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.931 11.965 -9.053 1.00 0.00 H new ATOM 620 N MET A 42 8.475 9.769 -6.863 1.00 0.00 N ATOM 621 CA MET A 42 7.977 8.439 -6.559 1.00 0.00 C ATOM 622 C MET A 42 7.833 8.238 -5.048 1.00 0.00 C ATOM 623 O MET A 42 8.831 8.159 -4.332 1.00 0.00 O ATOM 624 CB MET A 42 8.938 7.391 -7.124 1.00 0.00 C ATOM 625 CG MET A 42 8.314 5.995 -7.085 1.00 0.00 C ATOM 626 SD MET A 42 9.367 4.832 -7.935 1.00 0.00 S ATOM 627 CE MET A 42 8.199 4.152 -9.102 1.00 0.00 C ATOM 0 H MET A 42 9.255 10.076 -6.282 1.00 0.00 H new ATOM 0 HA MET A 42 6.994 8.327 -7.017 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.199 7.648 -8.151 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.864 7.395 -6.550 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.171 5.680 -6.051 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.329 6.015 -7.551 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.695 3.402 -9.718 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.373 3.689 -8.562 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.815 4.949 -9.739 1.00 0.00 H new ATOM 637 N LYS A 43 6.586 8.162 -4.609 1.00 0.00 N ATOM 638 CA LYS A 43 6.300 7.973 -3.197 1.00 0.00 C ATOM 639 C LYS A 43 5.403 6.746 -3.023 1.00 0.00 C ATOM 640 O LYS A 43 4.178 6.861 -3.036 1.00 0.00 O ATOM 641 CB LYS A 43 5.717 9.252 -2.592 1.00 0.00 C ATOM 642 CG LYS A 43 6.826 10.158 -2.053 1.00 0.00 C ATOM 643 CD LYS A 43 6.859 11.490 -2.804 1.00 0.00 C ATOM 644 CE LYS A 43 7.636 12.546 -2.015 1.00 0.00 C ATOM 645 NZ LYS A 43 6.753 13.208 -1.028 1.00 0.00 N ATOM 0 H LYS A 43 5.762 8.228 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 43 7.219 7.778 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.141 9.786 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.028 8.997 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.668 10.340 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.789 9.657 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.320 11.349 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.841 11.838 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.478 12.080 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.049 13.288 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.295 13.922 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.963 13.669 -1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.379 12.499 -0.366 1.00 0.00 H new ATOM 659 N GLY A 44 6.047 5.599 -2.863 1.00 0.00 N ATOM 660 CA GLY A 44 5.322 4.352 -2.687 1.00 0.00 C ATOM 661 C GLY A 44 6.084 3.402 -1.760 1.00 0.00 C ATOM 662 O GLY A 44 7.072 3.793 -1.141 1.00 0.00 O ATOM 0 H GLY A 44 7.063 5.507 -2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.335 4.556 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.169 3.876 -3.656 1.00 0.00 H new ATOM 666 N PHE A 45 5.595 2.174 -1.693 1.00 0.00 N ATOM 667 CA PHE A 45 6.216 1.165 -0.852 1.00 0.00 C ATOM 668 C PHE A 45 5.892 -0.244 -1.355 1.00 0.00 C ATOM 669 O PHE A 45 4.964 -0.428 -2.140 1.00 0.00 O ATOM 670 CB PHE A 45 5.639 1.337 0.554 1.00 0.00 C ATOM 671 CG PHE A 45 4.227 0.772 0.721 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.031 -0.574 0.737 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.168 1.615 0.855 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.720 -1.099 0.891 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.857 1.091 1.009 1.00 0.00 C ATOM 676 CZ PHE A 45 1.661 -0.255 1.024 1.00 0.00 C ATOM 0 H PHE A 45 4.775 1.854 -2.208 1.00 0.00 H new ATOM 0 HA PHE A 45 7.299 1.286 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.301 0.849 1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.626 2.398 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.872 -1.243 0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.324 2.684 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.564 -2.168 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.016 1.761 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.664 -0.654 1.142 1.00 0.00 H new ATOM 686 N ALA A 46 6.675 -1.201 -0.879 1.00 0.00 N ATOM 687 CA ALA A 46 6.482 -2.588 -1.270 1.00 0.00 C ATOM 688 C ALA A 46 6.521 -3.474 -0.024 1.00 0.00 C ATOM 689 O ALA A 46 7.374 -3.297 0.843 1.00 0.00 O ATOM 690 CB ALA A 46 7.547 -2.980 -2.298 1.00 0.00 C ATOM 0 H ALA A 46 7.444 -1.044 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 46 5.508 -2.723 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.404 -4.020 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.459 -2.339 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.538 -2.860 -1.859 1.00 0.00 H new ATOM 696 N GLY A 47 5.584 -4.410 0.025 1.00 0.00 N ATOM 697 CA GLY A 47 5.499 -5.325 1.151 1.00 0.00 C ATOM 698 C GLY A 47 4.503 -6.452 0.868 1.00 0.00 C ATOM 699 O GLY A 47 4.172 -6.717 -0.287 1.00 0.00 O ATOM 0 H GLY A 47 4.878 -4.554 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.483 -5.747 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.193 -4.780 2.044 1.00 0.00 H new ATOM 703 N GLU A 48 4.054 -7.085 1.942 1.00 0.00 N ATOM 704 CA GLU A 48 3.103 -8.177 1.823 1.00 0.00 C ATOM 705 C GLU A 48 1.686 -7.680 2.111 1.00 0.00 C ATOM 706 O GLU A 48 1.344 -7.396 3.258 1.00 0.00 O ATOM 707 CB GLU A 48 3.478 -9.334 2.752 1.00 0.00 C ATOM 708 CG GLU A 48 3.919 -10.560 1.950 1.00 0.00 C ATOM 709 CD GLU A 48 5.081 -11.278 2.641 1.00 0.00 C ATOM 710 OE1 GLU A 48 6.017 -10.566 3.065 1.00 0.00 O ATOM 711 OE2 GLU A 48 5.006 -12.523 2.731 1.00 0.00 O ATOM 0 H GLU A 48 4.331 -6.863 2.898 1.00 0.00 H new ATOM 0 HA GLU A 48 3.135 -8.551 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.282 -9.023 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.625 -9.593 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.079 -11.246 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.220 -10.255 0.948 1.00 0.00 H new ATOM 718 N LEU A 49 0.896 -7.591 1.050 1.00 0.00 N ATOM 719 CA LEU A 49 -0.477 -7.133 1.175 1.00 0.00 C ATOM 720 C LEU A 49 -1.424 -8.318 0.979 1.00 0.00 C ATOM 721 O LEU A 49 -0.988 -9.467 0.943 1.00 0.00 O ATOM 722 CB LEU A 49 -0.742 -5.969 0.219 1.00 0.00 C ATOM 723 CG LEU A 49 -0.548 -4.566 0.800 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.835 -4.426 1.442 1.00 0.00 C ATOM 725 CD2 LEU A 49 -0.799 -3.493 -0.262 1.00 0.00 C ATOM 0 H LEU A 49 1.181 -7.829 0.100 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.659 -6.741 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.085 -6.077 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.766 -6.051 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.286 -4.417 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.948 -3.420 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.938 -5.155 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.605 -4.603 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.655 -2.506 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.101 -3.628 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.821 -3.579 -0.632 1.00 0.00 H new ATOM 737 N THR A 50 -2.704 -7.998 0.856 1.00 0.00 N ATOM 738 CA THR A 50 -3.717 -9.021 0.664 1.00 0.00 C ATOM 739 C THR A 50 -4.938 -8.437 -0.051 1.00 0.00 C ATOM 740 O THR A 50 -4.910 -7.291 -0.496 1.00 0.00 O ATOM 741 CB THR A 50 -4.045 -9.624 2.032 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.089 -9.036 2.908 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.740 -11.123 2.099 1.00 0.00 C ATOM 0 H THR A 50 -3.063 -7.044 0.886 1.00 0.00 H new ATOM 0 HA THR A 50 -3.354 -9.820 0.018 1.00 0.00 H new ATOM 0 HB THR A 50 -5.098 -9.457 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.230 -9.371 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.990 -11.501 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.332 -11.649 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.680 -11.288 1.905 1.00 0.00 H new ATOM 751 N PRO A 51 -6.007 -9.271 -0.138 1.00 0.00 N ATOM 752 CA PRO A 51 -7.235 -8.850 -0.791 1.00 0.00 C ATOM 753 C PRO A 51 -8.021 -7.880 0.095 1.00 0.00 C ATOM 754 O PRO A 51 -8.629 -6.934 -0.403 1.00 0.00 O ATOM 755 CB PRO A 51 -7.990 -10.137 -1.079 1.00 0.00 C ATOM 756 CG PRO A 51 -7.381 -11.190 -0.168 1.00 0.00 C ATOM 757 CD PRO A 51 -6.076 -10.635 0.380 1.00 0.00 C ATOM 0 HA PRO A 51 -7.053 -8.297 -1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.055 -10.018 -0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.891 -10.422 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.064 -11.432 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.202 -12.113 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.068 -10.646 1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.223 -11.228 0.049 1.00 0.00 H new ATOM 765 N GLN A 52 -7.982 -8.150 1.391 1.00 0.00 N ATOM 766 CA GLN A 52 -8.684 -7.314 2.350 1.00 0.00 C ATOM 767 C GLN A 52 -8.093 -5.902 2.356 1.00 0.00 C ATOM 768 O GLN A 52 -8.786 -4.934 2.050 1.00 0.00 O ATOM 769 CB GLN A 52 -8.642 -7.931 3.750 1.00 0.00 C ATOM 770 CG GLN A 52 -9.265 -6.990 4.783 1.00 0.00 C ATOM 771 CD GLN A 52 -9.108 -7.548 6.198 1.00 0.00 C ATOM 772 OE1 GLN A 52 -10.067 -7.908 6.861 1.00 0.00 O ATOM 773 NE2 GLN A 52 -7.848 -7.600 6.622 1.00 0.00 N ATOM 0 H GLN A 52 -7.476 -8.935 1.800 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.729 -7.249 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.177 -8.881 3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.610 -8.147 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.791 -6.010 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.322 -6.848 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.092 -7.282 6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.638 -7.958 7.554 1.00 0.00 H new ATOM 782 N SER A 53 -6.817 -5.831 2.707 1.00 0.00 N ATOM 783 CA SER A 53 -6.125 -4.554 2.756 1.00 0.00 C ATOM 784 C SER A 53 -6.260 -3.833 1.413 1.00 0.00 C ATOM 785 O SER A 53 -6.344 -2.607 1.369 1.00 0.00 O ATOM 786 CB SER A 53 -4.649 -4.741 3.112 1.00 0.00 C ATOM 787 OG SER A 53 -4.420 -4.638 4.515 1.00 0.00 O ATOM 0 H SER A 53 -6.245 -6.637 2.960 1.00 0.00 H new ATOM 0 HA SER A 53 -6.585 -3.946 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.312 -5.716 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.053 -3.991 2.592 1.00 0.00 H new ATOM 0 HG SER A 53 -5.022 -3.965 4.896 1.00 0.00 H new ATOM 793 N LEU A 54 -6.277 -4.626 0.352 1.00 0.00 N ATOM 794 CA LEU A 54 -6.401 -4.078 -0.988 1.00 0.00 C ATOM 795 C LEU A 54 -7.580 -3.105 -1.030 1.00 0.00 C ATOM 796 O LEU A 54 -7.388 -1.890 -1.010 1.00 0.00 O ATOM 797 CB LEU A 54 -6.496 -5.204 -2.020 1.00 0.00 C ATOM 798 CG LEU A 54 -5.257 -5.422 -2.891 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.485 -6.555 -3.894 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.834 -4.124 -3.578 1.00 0.00 C ATOM 0 H LEU A 54 -6.207 -5.643 0.393 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.509 -3.509 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.715 -6.134 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.344 -5.000 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.434 -5.725 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.590 -6.690 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.701 -7.478 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.327 -6.305 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.951 -4.307 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.646 -3.766 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.602 -3.372 -2.824 1.00 0.00 H new ATOM 812 N THR A 55 -8.775 -3.675 -1.088 1.00 0.00 N ATOM 813 CA THR A 55 -9.985 -2.872 -1.133 1.00 0.00 C ATOM 814 C THR A 55 -9.855 -1.657 -0.212 1.00 0.00 C ATOM 815 O THR A 55 -10.410 -0.597 -0.495 1.00 0.00 O ATOM 816 CB THR A 55 -11.167 -3.777 -0.780 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.331 -4.599 -1.932 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.486 -3.008 -0.680 1.00 0.00 C ATOM 0 H THR A 55 -8.931 -4.683 -1.105 1.00 0.00 H new ATOM 0 HA THR A 55 -10.153 -2.467 -2.131 1.00 0.00 H new ATOM 0 HB THR A 55 -10.968 -4.280 0.167 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.077 -5.218 -1.788 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.291 -3.698 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.405 -2.246 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.703 -2.532 -1.636 1.00 0.00 H new ATOM 826 N LYS A 56 -9.116 -1.852 0.871 1.00 0.00 N ATOM 827 CA LYS A 56 -8.905 -0.786 1.834 1.00 0.00 C ATOM 828 C LYS A 56 -8.553 0.505 1.092 1.00 0.00 C ATOM 829 O LYS A 56 -9.307 1.476 1.138 1.00 0.00 O ATOM 830 CB LYS A 56 -7.862 -1.202 2.873 1.00 0.00 C ATOM 831 CG LYS A 56 -8.184 -0.603 4.244 1.00 0.00 C ATOM 832 CD LYS A 56 -7.716 0.850 4.332 1.00 0.00 C ATOM 833 CE LYS A 56 -6.215 0.960 4.056 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.575 1.877 5.026 1.00 0.00 N ATOM 0 H LYS A 56 -8.656 -2.733 1.102 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.820 -0.592 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.830 -2.289 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.873 -0.874 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.258 -0.654 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.702 -1.192 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.267 1.457 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.937 1.248 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.754 -0.026 4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.052 1.323 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.557 1.940 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.003 2.821 4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.715 1.515 5.991 1.00 0.00 H new ATOM 848 N PHE A 57 -7.409 0.473 0.425 1.00 0.00 N ATOM 849 CA PHE A 57 -6.949 1.628 -0.326 1.00 0.00 C ATOM 850 C PHE A 57 -7.426 1.565 -1.778 1.00 0.00 C ATOM 851 O PHE A 57 -7.556 2.594 -2.439 1.00 0.00 O ATOM 852 CB PHE A 57 -5.418 1.597 -0.303 1.00 0.00 C ATOM 853 CG PHE A 57 -4.827 0.187 -0.252 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.578 -0.488 -1.405 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.549 -0.391 0.948 1.00 0.00 C ATOM 856 CE1 PHE A 57 -4.028 -1.797 -1.358 1.00 0.00 C ATOM 857 CE2 PHE A 57 -4.000 -1.699 0.995 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.750 -2.375 -0.159 1.00 0.00 C ATOM 0 H PHE A 57 -6.787 -0.335 0.389 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.345 2.541 0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.041 2.107 -1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.066 2.159 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.798 -0.029 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.746 0.145 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.831 -2.333 -2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.781 -2.158 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.331 -3.370 -0.123 1.00 0.00 H new ATOM 868 N GLN A 58 -7.674 0.345 -2.233 1.00 0.00 N ATOM 869 CA GLN A 58 -8.134 0.132 -3.595 1.00 0.00 C ATOM 870 C GLN A 58 -9.345 1.019 -3.889 1.00 0.00 C ATOM 871 O GLN A 58 -9.449 1.595 -4.971 1.00 0.00 O ATOM 872 CB GLN A 58 -8.461 -1.342 -3.840 1.00 0.00 C ATOM 873 CG GLN A 58 -7.516 -1.947 -4.878 1.00 0.00 C ATOM 874 CD GLN A 58 -8.271 -2.883 -5.826 1.00 0.00 C ATOM 875 OE1 GLN A 58 -9.455 -2.732 -6.076 1.00 0.00 O ATOM 876 NE2 GLN A 58 -7.521 -3.854 -6.339 1.00 0.00 N ATOM 0 H GLN A 58 -7.565 -0.506 -1.682 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.330 0.409 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.382 -1.896 -2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.492 -1.438 -4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.040 -1.151 -5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.721 -2.497 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.535 -3.924 -6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.932 -4.529 -6.984 1.00 0.00 H new ATOM 885 N GLY A 59 -10.231 1.101 -2.908 1.00 0.00 N ATOM 886 CA GLY A 59 -11.431 1.908 -3.049 1.00 0.00 C ATOM 887 C GLY A 59 -11.124 3.392 -2.833 1.00 0.00 C ATOM 888 O GLY A 59 -11.540 4.237 -3.623 1.00 0.00 O ATOM 0 H GLY A 59 -10.142 0.622 -2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.857 1.762 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.181 1.580 -2.329 1.00 0.00 H new ATOM 892 N LEU A 60 -10.395 3.662 -1.760 1.00 0.00 N ATOM 893 CA LEU A 60 -10.027 5.029 -1.431 1.00 0.00 C ATOM 894 C LEU A 60 -9.101 5.578 -2.518 1.00 0.00 C ATOM 895 O LEU A 60 -8.845 6.780 -2.570 1.00 0.00 O ATOM 896 CB LEU A 60 -9.431 5.098 -0.023 1.00 0.00 C ATOM 897 CG LEU A 60 -8.856 6.452 0.396 1.00 0.00 C ATOM 898 CD1 LEU A 60 -9.972 7.446 0.722 1.00 0.00 C ATOM 899 CD2 LEU A 60 -7.871 6.295 1.556 1.00 0.00 C ATOM 0 H LEU A 60 -10.049 2.958 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.910 5.668 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.205 4.817 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.641 4.351 0.053 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.298 6.860 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.535 8.400 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.599 7.591 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.579 7.057 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.477 7.273 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.383 5.854 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.050 5.647 1.251 1.00 0.00 H new ATOM 911 N GLN A 61 -8.625 4.672 -3.358 1.00 0.00 N ATOM 912 CA GLN A 61 -7.732 5.051 -4.441 1.00 0.00 C ATOM 913 C GLN A 61 -8.238 6.324 -5.123 1.00 0.00 C ATOM 914 O GLN A 61 -9.389 6.716 -4.940 1.00 0.00 O ATOM 915 CB GLN A 61 -7.580 3.912 -5.449 1.00 0.00 C ATOM 916 CG GLN A 61 -6.191 3.931 -6.092 1.00 0.00 C ATOM 917 CD GLN A 61 -6.292 3.843 -7.617 1.00 0.00 C ATOM 918 OE1 GLN A 61 -6.768 4.942 -8.193 1.00 0.00 O flip ATOM 919 NE2 GLN A 61 -5.960 2.840 -8.229 1.00 0.00 N flip ATOM 0 H GLN A 61 -8.840 3.676 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.747 5.254 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.741 2.956 -4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.344 4.001 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.668 4.845 -5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.600 3.097 -5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.602 2.030 -7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.041 2.813 -9.245 1.00 0.00 H new ATOM 928 N GLY A 62 -7.351 6.934 -5.896 1.00 0.00 N ATOM 929 CA GLY A 62 -7.693 8.154 -6.608 1.00 0.00 C ATOM 930 C GLY A 62 -7.409 9.388 -5.748 1.00 0.00 C ATOM 931 O GLY A 62 -6.970 10.417 -6.259 1.00 0.00 O ATOM 0 H GLY A 62 -6.397 6.606 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.121 8.212 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.747 8.134 -6.886 1.00 0.00 H new ATOM 935 N ASP A 63 -7.672 9.244 -4.457 1.00 0.00 N ATOM 936 CA ASP A 63 -7.449 10.333 -3.522 1.00 0.00 C ATOM 937 C ASP A 63 -6.468 9.878 -2.439 1.00 0.00 C ATOM 938 O ASP A 63 -6.453 10.428 -1.339 1.00 0.00 O ATOM 939 CB ASP A 63 -8.754 10.744 -2.835 1.00 0.00 C ATOM 940 CG ASP A 63 -9.027 12.249 -2.815 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.352 12.938 -2.019 1.00 0.00 O ATOM 942 OD2 ASP A 63 -9.904 12.678 -3.596 1.00 0.00 O ATOM 0 H ASP A 63 -8.037 8.389 -4.037 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.052 11.181 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.584 10.246 -3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.737 10.379 -1.808 1.00 0.00 H new ATOM 947 N LEU A 64 -5.673 8.878 -2.789 1.00 0.00 N ATOM 948 CA LEU A 64 -4.691 8.343 -1.861 1.00 0.00 C ATOM 949 C LEU A 64 -3.620 7.579 -2.643 1.00 0.00 C ATOM 950 O LEU A 64 -2.444 7.941 -2.608 1.00 0.00 O ATOM 951 CB LEU A 64 -5.377 7.506 -0.779 1.00 0.00 C ATOM 952 CG LEU A 64 -4.572 6.326 -0.233 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.513 6.799 0.765 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.494 5.265 0.370 1.00 0.00 C ATOM 0 H LEU A 64 -5.689 8.424 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.185 9.152 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.632 8.162 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.315 7.125 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.045 5.859 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.955 5.940 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.829 7.489 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.999 7.305 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.896 4.437 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.068 5.703 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.176 4.897 -0.397 1.00 0.00 H new ATOM 966 N ILE A 65 -4.064 6.537 -3.330 1.00 0.00 N ATOM 967 CA ILE A 65 -3.159 5.718 -4.118 1.00 0.00 C ATOM 968 C ILE A 65 -3.149 6.224 -5.562 1.00 0.00 C ATOM 969 O ILE A 65 -4.205 6.422 -6.162 1.00 0.00 O ATOM 970 CB ILE A 65 -3.523 4.239 -3.987 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.516 3.800 -2.522 1.00 0.00 C ATOM 972 CG2 ILE A 65 -2.605 3.370 -4.850 1.00 0.00 C ATOM 973 CD1 ILE A 65 -3.037 2.354 -2.385 1.00 0.00 C ATOM 0 H ILE A 65 -5.040 6.241 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.140 5.805 -3.742 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.539 4.103 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.867 4.458 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.519 3.896 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.885 2.323 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.704 3.663 -5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.571 3.505 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.042 2.067 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.703 1.696 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.025 2.267 -2.780 1.00 0.00 H new ATOM 985 N ASP A 66 -1.944 6.420 -6.079 1.00 0.00 N ATOM 986 CA ASP A 66 -1.782 6.898 -7.441 1.00 0.00 C ATOM 987 C ASP A 66 -1.840 5.710 -8.404 1.00 0.00 C ATOM 988 O ASP A 66 -2.500 5.779 -9.441 1.00 0.00 O ATOM 989 CB ASP A 66 -0.432 7.591 -7.625 1.00 0.00 C ATOM 990 CG ASP A 66 -0.487 8.933 -8.359 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.606 9.482 -8.454 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.591 9.378 -8.809 1.00 0.00 O ATOM 0 H ASP A 66 -1.071 6.256 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.582 7.609 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.015 7.749 -6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.231 6.922 -8.173 1.00 0.00 H new ATOM 997 N SER A 67 -1.141 4.651 -8.028 1.00 0.00 N ATOM 998 CA SER A 67 -1.104 3.450 -8.846 1.00 0.00 C ATOM 999 C SER A 67 -0.925 2.217 -7.958 1.00 0.00 C ATOM 1000 O SER A 67 -0.102 2.221 -7.044 1.00 0.00 O ATOM 1001 CB SER A 67 0.019 3.525 -9.883 1.00 0.00 C ATOM 1002 OG SER A 67 -0.087 4.685 -10.702 1.00 0.00 O ATOM 0 H SER A 67 -0.595 4.598 -7.168 1.00 0.00 H new ATOM 0 HA SER A 67 -2.051 3.370 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.983 3.528 -9.374 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.007 2.634 -10.511 1.00 0.00 H new ATOM 0 HG SER A 67 0.649 4.697 -11.349 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.708 1.192 -8.259 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.645 -0.046 -7.499 1.00 0.00 C ATOM 1010 C ILE A 68 -1.135 -1.169 -8.404 1.00 0.00 C ATOM 1011 O ILE A 68 -1.641 -1.358 -9.510 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.999 -0.344 -6.850 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.819 -1.078 -5.521 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.910 -1.112 -7.811 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.293 -0.216 -4.350 1.00 0.00 C ATOM 0 H ILE A 68 -2.389 1.193 -9.018 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.936 0.046 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.489 0.604 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.379 -2.013 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.769 -1.338 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.865 -1.311 -7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.076 -0.517 -8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.438 -2.056 -8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.154 -0.762 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.714 0.707 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.349 0.022 -4.477 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.141 -1.885 -7.900 1.00 0.00 N ATOM 1028 CA GLU A 69 0.442 -2.986 -8.648 1.00 0.00 C ATOM 1029 C GLU A 69 0.420 -4.267 -7.812 1.00 0.00 C ATOM 1030 O GLU A 69 1.461 -4.724 -7.344 1.00 0.00 O ATOM 1031 CB GLU A 69 1.865 -2.649 -9.098 1.00 0.00 C ATOM 1032 CG GLU A 69 2.156 -3.232 -10.482 1.00 0.00 C ATOM 1033 CD GLU A 69 3.497 -2.728 -11.020 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.503 -2.920 -10.303 1.00 0.00 O ATOM 1035 OE2 GLU A 69 3.486 -2.163 -12.134 1.00 0.00 O ATOM 0 H GLU A 69 0.276 -1.724 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.158 -3.150 -9.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.996 -1.567 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.581 -3.042 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.169 -4.321 -10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.357 -2.957 -11.171 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.778 -4.810 -7.652 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.949 -6.030 -6.881 1.00 0.00 C ATOM 1044 C GLU A 70 -0.216 -7.191 -7.555 1.00 0.00 C ATOM 1045 O GLU A 70 -0.378 -7.422 -8.752 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.432 -6.355 -6.690 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.199 -5.134 -6.178 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.588 -5.051 -6.815 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -5.320 -6.059 -6.710 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -4.885 -3.984 -7.393 1.00 0.00 O ATOM 0 H GLU A 70 -1.639 -4.428 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.515 -5.876 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.860 -6.687 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.540 -7.179 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.295 -5.189 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.637 -4.227 -6.402 1.00 0.00 H new ATOM 1057 N ASP A 71 0.576 -7.892 -6.757 1.00 0.00 N ATOM 1058 CA ASP A 71 1.335 -9.025 -7.262 1.00 0.00 C ATOM 1059 C ASP A 71 1.155 -10.215 -6.317 1.00 0.00 C ATOM 1060 O ASP A 71 2.047 -11.052 -6.193 1.00 0.00 O ATOM 1061 CB ASP A 71 2.828 -8.699 -7.333 1.00 0.00 C ATOM 1062 CG ASP A 71 3.602 -9.447 -8.421 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.760 -10.677 -8.259 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.017 -8.773 -9.388 1.00 0.00 O ATOM 0 H ASP A 71 0.709 -7.698 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 71 0.969 -9.259 -8.262 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.943 -7.628 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.280 -8.924 -6.367 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.005 -10.252 -5.677 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.313 -11.326 -4.748 1.00 0.00 C ATOM 1071 C GLY A 72 -1.112 -12.434 -5.436 1.00 0.00 C ATOM 1072 O GLY A 72 -0.582 -13.509 -5.709 1.00 0.00 O ATOM 0 H GLY A 72 -0.743 -9.556 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.612 -11.737 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.882 -10.931 -3.906 1.00 0.00 H new