USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 1.08 USER MOD Set 1.2: A 10 SER OG : rot 86:sc= 1.24 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.998 K(o=1,f=-0.078) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -84:sc= 1.31 USER MOD Single : A 16 SER OG : rot 78:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 1.9 (180deg=1.27) USER MOD Single : A 34 MET CE :methyl -152:sc= -0.0904 (180deg=-0.321) USER MOD Single : A 44 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.18) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 3.66 (180deg=3.66) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.42 K(o=1.4,f=-3.1!) USER MOD Single : A 61 GLN : amide:sc= 0.64 K(o=0.64,f=-0.27) USER MOD Single : A 63 THR OG1 : rot -57:sc= 1.29 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -140:sc= 0.213 USER MOD Single : A 70 MET CE :methyl -175:sc= 0 (180deg=-0.0205) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 137:sc= 1.27 USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 1.13 (180deg=0.957) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 87 SER OG : rot 8:sc= 0.607 USER MOD Single : A 91 LYS NZ :NH3+ -112:sc= 1.96 (180deg=-0.286) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 1.32 (180deg=1.25) USER MOD Single : A 97 GLN : amide:sc= 1.3 K(o=1.3,f=-0.00031) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 102 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.15) USER MOD Single : A 103 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.040 2.162 0.970 1.00 0.00 N ATOM 31 CA ILE A 3 6.983 2.619 1.988 1.00 0.00 C ATOM 32 C ILE A 3 6.416 3.928 2.560 1.00 0.00 C ATOM 33 O ILE A 3 5.817 4.731 1.837 1.00 0.00 O ATOM 34 CB ILE A 3 8.387 2.820 1.374 1.00 0.00 C ATOM 35 CG1 ILE A 3 8.954 1.501 0.798 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.405 3.379 2.389 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.663 1.745 -0.531 1.00 0.00 C ATOM 0 HA ILE A 3 7.100 1.882 2.783 1.00 0.00 H new ATOM 0 HB ILE A 3 8.249 3.547 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.651 1.059 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.145 0.784 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.374 3.500 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.060 4.345 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.502 2.687 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.052 0.802 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.957 2.165 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.486 2.443 -0.381 1.00 0.00 H new ATOM 49 N VAL A 4 6.633 4.153 3.853 1.00 0.00 N ATOM 50 CA VAL A 4 6.121 5.270 4.633 1.00 0.00 C ATOM 51 C VAL A 4 7.268 5.739 5.544 1.00 0.00 C ATOM 52 O VAL A 4 8.230 5.002 5.786 1.00 0.00 O ATOM 53 CB VAL A 4 4.867 4.807 5.426 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.101 5.970 6.075 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.851 4.035 4.564 1.00 0.00 C ATOM 0 H VAL A 4 7.205 3.522 4.415 1.00 0.00 H new ATOM 0 HA VAL A 4 5.801 6.106 4.010 1.00 0.00 H new ATOM 0 HB VAL A 4 5.283 4.152 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.237 5.581 6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.756 6.494 6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.766 6.661 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.001 3.741 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.507 4.672 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.326 3.144 4.152 1.00 0.00 H new ATOM 65 N LYS A 5 7.160 6.957 6.074 1.00 0.00 N ATOM 66 CA LYS A 5 8.059 7.525 7.076 1.00 0.00 C ATOM 67 C LYS A 5 7.210 7.758 8.319 1.00 0.00 C ATOM 68 O LYS A 5 6.041 8.134 8.193 1.00 0.00 O ATOM 69 CB LYS A 5 8.615 8.854 6.544 1.00 0.00 C ATOM 70 CG LYS A 5 9.702 9.519 7.406 1.00 0.00 C ATOM 71 CD LYS A 5 11.052 8.782 7.421 1.00 0.00 C ATOM 72 CE LYS A 5 11.629 8.493 6.023 1.00 0.00 C ATOM 73 NZ LYS A 5 11.903 9.724 5.232 1.00 0.00 N ATOM 0 H LYS A 5 6.414 7.599 5.806 1.00 0.00 H new ATOM 0 HA LYS A 5 8.901 6.871 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.023 8.683 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.787 9.554 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.862 10.535 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.336 9.599 8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.772 9.377 7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.933 7.839 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.553 7.925 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.930 7.864 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.289 9.461 4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.019 10.257 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.592 10.316 5.738 1.00 0.00 H new ATOM 87 N ALA A 6 7.775 7.562 9.506 1.00 0.00 N ATOM 88 CA ALA A 6 7.036 7.678 10.759 1.00 0.00 C ATOM 89 C ALA A 6 7.902 8.264 11.868 1.00 0.00 C ATOM 90 O ALA A 6 9.131 8.169 11.841 1.00 0.00 O ATOM 91 CB ALA A 6 6.521 6.295 11.182 1.00 0.00 C ATOM 0 H ALA A 6 8.758 7.318 9.627 1.00 0.00 H new ATOM 0 HA ALA A 6 6.197 8.354 10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.969 6.383 12.118 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.863 5.900 10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.365 5.619 11.320 1.00 0.00 H new ATOM 97 N THR A 7 7.221 8.825 12.862 1.00 0.00 N ATOM 98 CA THR A 7 7.759 9.243 14.143 1.00 0.00 C ATOM 99 C THR A 7 7.309 8.227 15.187 1.00 0.00 C ATOM 100 O THR A 7 6.416 7.423 14.918 1.00 0.00 O ATOM 101 CB THR A 7 7.181 10.616 14.520 1.00 0.00 C ATOM 102 OG1 THR A 7 5.774 10.637 14.311 1.00 0.00 O ATOM 103 CG2 THR A 7 7.826 11.732 13.697 1.00 0.00 C ATOM 0 H THR A 7 6.221 9.009 12.786 1.00 0.00 H new ATOM 0 HA THR A 7 8.846 9.307 14.094 1.00 0.00 H new ATOM 0 HB THR A 7 7.398 10.785 15.575 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.420 11.517 14.557 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.397 12.692 13.986 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.900 11.745 13.880 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.641 11.556 12.637 1.00 0.00 H new ATOM 111 N ASP A 8 7.846 8.325 16.399 1.00 0.00 N ATOM 112 CA ASP A 8 7.479 7.496 17.538 1.00 0.00 C ATOM 113 C ASP A 8 5.967 7.378 17.732 1.00 0.00 C ATOM 114 O ASP A 8 5.450 6.285 17.966 1.00 0.00 O ATOM 115 CB ASP A 8 8.105 8.079 18.811 1.00 0.00 C ATOM 116 CG ASP A 8 7.655 7.280 20.042 1.00 0.00 C ATOM 117 OD1 ASP A 8 8.203 6.177 20.268 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.760 7.770 20.769 1.00 0.00 O ATOM 0 H ASP A 8 8.572 9.006 16.621 1.00 0.00 H new ATOM 0 HA ASP A 8 7.857 6.493 17.337 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.192 8.057 18.733 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.814 9.124 18.921 1.00 0.00 H new ATOM 123 N GLN A 9 5.252 8.502 17.612 1.00 0.00 N ATOM 124 CA GLN A 9 3.821 8.551 17.859 1.00 0.00 C ATOM 125 C GLN A 9 3.025 8.028 16.659 1.00 0.00 C ATOM 126 O GLN A 9 1.995 7.376 16.846 1.00 0.00 O ATOM 127 CB GLN A 9 3.411 9.981 18.240 1.00 0.00 C ATOM 128 CG GLN A 9 4.016 10.413 19.589 1.00 0.00 C ATOM 129 CD GLN A 9 3.428 9.637 20.773 1.00 0.00 C ATOM 130 OE1 GLN A 9 2.292 9.870 21.181 1.00 0.00 O ATOM 131 NE2 GLN A 9 4.161 8.700 21.353 1.00 0.00 N ATOM 0 H GLN A 9 5.656 9.399 17.341 1.00 0.00 H new ATOM 0 HA GLN A 9 3.586 7.892 18.695 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.734 10.671 17.460 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.324 10.045 18.293 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.096 10.266 19.563 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.843 11.479 19.736 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.103 8.507 21.014 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.783 8.171 22.139 1.00 0.00 H new ATOM 140 N SER A 10 3.501 8.275 15.436 1.00 0.00 N ATOM 141 CA SER A 10 2.863 7.769 14.221 1.00 0.00 C ATOM 142 C SER A 10 3.065 6.256 14.074 1.00 0.00 C ATOM 143 O SER A 10 2.197 5.565 13.541 1.00 0.00 O ATOM 144 CB SER A 10 3.432 8.489 12.991 1.00 0.00 C ATOM 145 OG SER A 10 3.390 9.899 13.136 1.00 0.00 O ATOM 0 H SER A 10 4.338 8.831 15.262 1.00 0.00 H new ATOM 0 HA SER A 10 1.793 7.964 14.297 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.462 8.171 12.829 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.866 8.198 12.106 1.00 0.00 H new ATOM 0 HG SER A 10 4.192 10.203 13.611 1.00 0.00 H new ATOM 151 N PHE A 11 4.204 5.740 14.547 1.00 0.00 N ATOM 152 CA PHE A 11 4.668 4.379 14.314 1.00 0.00 C ATOM 153 C PHE A 11 3.614 3.339 14.680 1.00 0.00 C ATOM 154 O PHE A 11 3.346 2.436 13.888 1.00 0.00 O ATOM 155 CB PHE A 11 5.960 4.160 15.113 1.00 0.00 C ATOM 156 CG PHE A 11 6.683 2.879 14.779 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.552 2.846 13.673 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.511 1.732 15.575 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.260 1.674 13.373 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.219 0.559 15.268 1.00 0.00 C ATOM 161 CZ PHE A 11 8.096 0.529 14.171 1.00 0.00 C ATOM 0 H PHE A 11 4.848 6.283 15.123 1.00 0.00 H new ATOM 0 HA PHE A 11 4.862 4.252 13.249 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.631 5.000 14.935 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.721 4.163 16.177 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.674 3.724 13.055 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.837 1.754 16.419 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.932 1.651 12.528 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.089 -0.323 15.877 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.644 -0.373 13.941 1.00 0.00 H new ATOM 171 N SER A 12 2.983 3.468 15.848 1.00 0.00 N ATOM 172 CA SER A 12 2.006 2.498 16.326 1.00 0.00 C ATOM 173 C SER A 12 0.777 2.432 15.417 1.00 0.00 C ATOM 174 O SER A 12 0.259 1.347 15.148 1.00 0.00 O ATOM 175 CB SER A 12 1.614 2.845 17.767 1.00 0.00 C ATOM 176 OG SER A 12 2.773 3.076 18.558 1.00 0.00 O ATOM 0 H SER A 12 3.137 4.248 16.486 1.00 0.00 H new ATOM 0 HA SER A 12 2.460 1.507 16.305 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.980 3.731 17.774 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.030 2.031 18.197 1.00 0.00 H new ATOM 0 HG SER A 12 2.505 3.298 19.474 1.00 0.00 H new ATOM 182 N ALA A 13 0.328 3.580 14.902 1.00 0.00 N ATOM 183 CA ALA A 13 -0.789 3.629 13.974 1.00 0.00 C ATOM 184 C ALA A 13 -0.388 3.002 12.643 1.00 0.00 C ATOM 185 O ALA A 13 -1.136 2.198 12.085 1.00 0.00 O ATOM 186 CB ALA A 13 -1.262 5.075 13.786 1.00 0.00 C ATOM 0 H ALA A 13 0.730 4.492 15.119 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.621 3.056 14.384 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.099 5.096 13.088 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.580 5.482 14.746 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.444 5.677 13.390 1.00 0.00 H new ATOM 192 N GLU A 14 0.806 3.335 12.149 1.00 0.00 N ATOM 193 CA GLU A 14 1.287 2.839 10.869 1.00 0.00 C ATOM 194 C GLU A 14 1.460 1.320 10.902 1.00 0.00 C ATOM 195 O GLU A 14 1.140 0.650 9.920 1.00 0.00 O ATOM 196 CB GLU A 14 2.597 3.534 10.453 1.00 0.00 C ATOM 197 CG GLU A 14 2.409 5.000 10.027 1.00 0.00 C ATOM 198 CD GLU A 14 1.428 5.198 8.853 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.194 4.246 8.074 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.880 6.315 8.711 1.00 0.00 O ATOM 0 H GLU A 14 1.461 3.954 12.627 1.00 0.00 H new ATOM 0 HA GLU A 14 0.534 3.078 10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.300 3.494 11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.046 2.980 9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.053 5.572 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.379 5.413 9.749 1.00 0.00 H new ATOM 207 N THR A 15 1.911 0.763 12.026 1.00 0.00 N ATOM 208 CA THR A 15 2.171 -0.659 12.181 1.00 0.00 C ATOM 209 C THR A 15 0.905 -1.482 12.456 1.00 0.00 C ATOM 210 O THR A 15 0.989 -2.708 12.548 1.00 0.00 O ATOM 211 CB THR A 15 3.290 -0.867 13.214 1.00 0.00 C ATOM 212 OG1 THR A 15 3.049 -0.175 14.418 1.00 0.00 O ATOM 213 CG2 THR A 15 4.640 -0.397 12.654 1.00 0.00 C ATOM 0 H THR A 15 2.108 1.303 12.868 1.00 0.00 H new ATOM 0 HA THR A 15 2.524 -1.052 11.227 1.00 0.00 H new ATOM 0 HB THR A 15 3.313 -1.936 13.423 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.361 0.750 14.332 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.418 -0.553 13.401 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.880 -0.967 11.756 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.582 0.663 12.407 1.00 0.00 H new ATOM 221 N SER A 16 -0.270 -0.846 12.523 1.00 0.00 N ATOM 222 CA SER A 16 -1.537 -1.500 12.825 1.00 0.00 C ATOM 223 C SER A 16 -2.342 -1.819 11.555 1.00 0.00 C ATOM 224 O SER A 16 -3.572 -1.868 11.589 1.00 0.00 O ATOM 225 CB SER A 16 -2.320 -0.662 13.846 1.00 0.00 C ATOM 226 OG SER A 16 -1.616 -0.564 15.072 1.00 0.00 O ATOM 0 H SER A 16 -0.363 0.157 12.365 1.00 0.00 H new ATOM 0 HA SER A 16 -1.334 -2.470 13.279 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.497 0.336 13.444 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.297 -1.113 14.019 1.00 0.00 H new ATOM 0 HG SER A 16 -0.900 0.099 14.986 1.00 0.00 H new ATOM 232 N GLU A 17 -1.654 -2.040 10.431 1.00 0.00 N ATOM 233 CA GLU A 17 -2.267 -2.334 9.136 1.00 0.00 C ATOM 234 C GLU A 17 -1.507 -3.473 8.441 1.00 0.00 C ATOM 235 O GLU A 17 -0.664 -3.233 7.573 1.00 0.00 O ATOM 236 CB GLU A 17 -2.349 -1.066 8.262 1.00 0.00 C ATOM 237 CG GLU A 17 -3.296 0.001 8.832 1.00 0.00 C ATOM 238 CD GLU A 17 -3.534 1.141 7.828 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.559 1.831 7.455 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.696 1.363 7.416 1.00 0.00 O ATOM 0 H GLU A 17 -0.635 -2.019 10.397 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.292 -2.669 9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.352 -0.639 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.683 -1.343 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.249 -0.459 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.876 0.407 9.752 1.00 0.00 H new ATOM 247 N GLY A 18 -1.799 -4.721 8.824 1.00 0.00 N ATOM 248 CA GLY A 18 -1.267 -5.909 8.167 1.00 0.00 C ATOM 249 C GLY A 18 0.129 -6.232 8.685 1.00 0.00 C ATOM 250 O GLY A 18 0.476 -5.880 9.817 1.00 0.00 O ATOM 0 H GLY A 18 -2.418 -4.931 9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.930 -6.756 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.232 -5.750 7.089 1.00 0.00 H new ATOM 254 N VAL A 19 0.908 -6.953 7.879 1.00 0.00 N ATOM 255 CA VAL A 19 2.335 -7.120 8.135 1.00 0.00 C ATOM 256 C VAL A 19 2.989 -5.786 7.769 1.00 0.00 C ATOM 257 O VAL A 19 2.708 -5.212 6.712 1.00 0.00 O ATOM 258 CB VAL A 19 2.947 -8.280 7.319 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.430 -8.485 7.685 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.228 -9.612 7.577 1.00 0.00 C ATOM 0 H VAL A 19 0.573 -7.431 7.043 1.00 0.00 H new ATOM 0 HA VAL A 19 2.506 -7.381 9.180 1.00 0.00 H new ATOM 0 HB VAL A 19 2.837 -8.000 6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.839 -9.307 7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.987 -7.573 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.514 -8.720 8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.693 -10.398 6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.301 -9.866 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.178 -9.519 7.298 1.00 0.00 H new ATOM 270 N VAL A 20 3.890 -5.314 8.622 1.00 0.00 N ATOM 271 CA VAL A 20 4.622 -4.078 8.432 1.00 0.00 C ATOM 272 C VAL A 20 6.074 -4.380 8.786 1.00 0.00 C ATOM 273 O VAL A 20 6.344 -5.061 9.777 1.00 0.00 O ATOM 274 CB VAL A 20 3.997 -2.960 9.296 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.685 -1.614 9.015 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.485 -2.822 9.027 1.00 0.00 C ATOM 0 H VAL A 20 4.135 -5.797 9.487 1.00 0.00 H new ATOM 0 HA VAL A 20 4.575 -3.714 7.406 1.00 0.00 H new ATOM 0 HB VAL A 20 4.144 -3.235 10.341 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.232 -0.838 9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.746 -1.692 9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.565 -1.357 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.076 -2.027 9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.323 -2.579 7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.986 -3.762 9.263 1.00 0.00 H new ATOM 286 N LEU A 21 7.009 -3.885 7.978 1.00 0.00 N ATOM 287 CA LEU A 21 8.438 -4.092 8.175 1.00 0.00 C ATOM 288 C LEU A 21 9.050 -2.705 8.340 1.00 0.00 C ATOM 289 O LEU A 21 9.029 -1.879 7.429 1.00 0.00 O ATOM 290 CB LEU A 21 9.003 -4.919 7.009 1.00 0.00 C ATOM 291 CG LEU A 21 10.416 -5.488 7.233 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.805 -6.345 6.023 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.490 -4.423 7.453 1.00 0.00 C ATOM 0 H LEU A 21 6.790 -3.321 7.157 1.00 0.00 H new ATOM 0 HA LEU A 21 8.678 -4.674 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.323 -5.747 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.017 -4.295 6.115 1.00 0.00 H new ATOM 0 HG LEU A 21 10.371 -6.076 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.805 -6.753 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.093 -7.162 5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.795 -5.730 5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.456 -4.906 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.541 -3.772 6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.240 -3.830 8.333 1.00 0.00 H new ATOM 305 N ALA A 22 9.515 -2.416 9.545 1.00 0.00 N ATOM 306 CA ALA A 22 10.051 -1.125 9.913 1.00 0.00 C ATOM 307 C ALA A 22 11.562 -1.145 9.738 1.00 0.00 C ATOM 308 O ALA A 22 12.203 -2.152 10.036 1.00 0.00 O ATOM 309 CB ALA A 22 9.696 -0.826 11.364 1.00 0.00 C ATOM 0 H ALA A 22 9.528 -3.092 10.309 1.00 0.00 H new ATOM 0 HA ALA A 22 9.626 -0.349 9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.099 0.147 11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.612 -0.816 11.479 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.122 -1.595 12.009 1.00 0.00 H new ATOM 315 N ASP A 23 12.126 -0.016 9.326 1.00 0.00 N ATOM 316 CA ASP A 23 13.538 0.162 9.018 1.00 0.00 C ATOM 317 C ASP A 23 14.052 1.312 9.876 1.00 0.00 C ATOM 318 O ASP A 23 13.874 2.490 9.553 1.00 0.00 O ATOM 319 CB ASP A 23 13.732 0.420 7.519 1.00 0.00 C ATOM 320 CG ASP A 23 15.180 0.829 7.193 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.118 0.205 7.737 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.368 1.737 6.353 1.00 0.00 O ATOM 0 H ASP A 23 11.586 0.839 9.192 1.00 0.00 H new ATOM 0 HA ASP A 23 14.107 -0.739 9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.473 -0.478 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.050 1.206 7.194 1.00 0.00 H new ATOM 327 N PHE A 24 14.601 0.949 11.032 1.00 0.00 N ATOM 328 CA PHE A 24 15.263 1.855 11.948 1.00 0.00 C ATOM 329 C PHE A 24 16.599 2.194 11.303 1.00 0.00 C ATOM 330 O PHE A 24 17.450 1.312 11.117 1.00 0.00 O ATOM 331 CB PHE A 24 15.418 1.216 13.337 1.00 0.00 C ATOM 332 CG PHE A 24 14.107 1.112 14.099 1.00 0.00 C ATOM 333 CD1 PHE A 24 13.097 0.227 13.672 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.867 1.950 15.205 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.847 0.214 14.315 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.617 1.934 15.848 1.00 0.00 C ATOM 337 CZ PHE A 24 11.600 1.079 15.391 1.00 0.00 C ATOM 0 H PHE A 24 14.594 -0.016 11.362 1.00 0.00 H new ATOM 0 HA PHE A 24 14.684 2.763 12.117 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.846 0.220 13.226 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.125 1.803 13.923 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.284 -0.444 12.847 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.646 2.608 15.561 1.00 0.00 H new ATOM 0 HE1 PHE A 24 11.075 -0.463 13.980 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.438 2.580 16.695 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.631 1.088 15.867 1.00 0.00 H new ATOM 347 N TRP A 25 16.739 3.463 10.921 1.00 0.00 N ATOM 348 CA TRP A 25 17.844 3.971 10.125 1.00 0.00 C ATOM 349 C TRP A 25 18.072 5.441 10.503 1.00 0.00 C ATOM 350 O TRP A 25 17.421 5.948 11.413 1.00 0.00 O ATOM 351 CB TRP A 25 17.542 3.737 8.622 1.00 0.00 C ATOM 352 CG TRP A 25 17.365 4.936 7.735 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.263 5.384 6.826 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.303 5.939 7.755 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.798 6.546 6.248 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.646 6.986 6.851 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.122 6.105 8.503 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.889 8.159 6.732 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.348 7.277 8.391 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.746 8.314 7.530 1.00 0.00 C ATOM 0 H TRP A 25 16.062 4.185 11.168 1.00 0.00 H new ATOM 0 HA TRP A 25 18.776 3.443 10.327 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.352 3.136 8.210 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.634 3.137 8.555 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.201 4.904 6.590 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.254 7.020 5.468 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.804 5.321 9.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.181 8.932 6.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.443 7.379 8.971 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.173 9.228 7.483 1.00 0.00 H new ATOM 371 N ALA A 26 19.001 6.122 9.836 1.00 0.00 N ATOM 372 CA ALA A 26 19.158 7.569 9.878 1.00 0.00 C ATOM 373 C ALA A 26 19.781 7.958 8.537 1.00 0.00 C ATOM 374 O ALA A 26 20.563 7.169 8.002 1.00 0.00 O ATOM 375 CB ALA A 26 20.066 7.984 11.042 1.00 0.00 C ATOM 0 H ALA A 26 19.685 5.665 9.233 1.00 0.00 H new ATOM 0 HA ALA A 26 18.203 8.071 10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.169 9.069 11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.627 7.651 11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.048 7.528 10.918 1.00 0.00 H new ATOM 381 N PRO A 27 19.524 9.145 7.971 1.00 0.00 N ATOM 382 CA PRO A 27 20.112 9.514 6.688 1.00 0.00 C ATOM 383 C PRO A 27 21.631 9.717 6.759 1.00 0.00 C ATOM 384 O PRO A 27 22.288 9.742 5.719 1.00 0.00 O ATOM 385 CB PRO A 27 19.361 10.760 6.229 1.00 0.00 C ATOM 386 CG PRO A 27 18.862 11.384 7.536 1.00 0.00 C ATOM 387 CD PRO A 27 18.631 10.185 8.457 1.00 0.00 C ATOM 0 HA PRO A 27 20.002 8.707 5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.013 11.442 5.683 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.535 10.508 5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.596 12.073 7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.944 11.951 7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.851 10.438 9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.592 9.858 8.422 1.00 0.00 H new ATOM 395 N TRP A 28 22.212 9.800 7.958 1.00 0.00 N ATOM 396 CA TRP A 28 23.659 9.836 8.156 1.00 0.00 C ATOM 397 C TRP A 28 24.297 8.444 7.983 1.00 0.00 C ATOM 398 O TRP A 28 25.522 8.332 7.915 1.00 0.00 O ATOM 399 CB TRP A 28 23.983 10.434 9.535 1.00 0.00 C ATOM 400 CG TRP A 28 22.918 11.330 10.094 1.00 0.00 C ATOM 401 CD1 TRP A 28 22.091 10.976 11.095 1.00 0.00 C ATOM 402 CD2 TRP A 28 22.443 12.632 9.629 1.00 0.00 C ATOM 403 NE1 TRP A 28 21.126 11.942 11.277 1.00 0.00 N ATOM 404 CE2 TRP A 28 21.296 12.993 10.400 1.00 0.00 C ATOM 405 CE3 TRP A 28 22.842 13.525 8.613 1.00 0.00 C ATOM 406 CZ2 TRP A 28 20.587 14.183 10.176 1.00 0.00 C ATOM 407 CZ3 TRP A 28 22.140 14.724 8.381 1.00 0.00 C ATOM 408 CH2 TRP A 28 21.016 15.055 9.160 1.00 0.00 C ATOM 0 H TRP A 28 21.682 9.845 8.828 1.00 0.00 H new ATOM 0 HA TRP A 28 24.093 10.475 7.387 1.00 0.00 H new ATOM 0 HB2 TRP A 28 24.159 9.619 10.237 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.913 10.998 9.462 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.172 10.067 11.672 1.00 0.00 H new ATOM 0 HE1 TRP A 28 20.381 11.887 11.971 1.00 0.00 H new ATOM 0 HE3 TRP A 28 23.700 13.286 8.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 19.723 14.426 10.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.467 15.394 7.600 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.484 15.977 8.978 1.00 0.00 H new ATOM 419 N CYS A 29 23.478 7.383 7.949 1.00 0.00 N ATOM 420 CA CYS A 29 23.904 5.993 7.862 1.00 0.00 C ATOM 421 C CYS A 29 24.628 5.719 6.536 1.00 0.00 C ATOM 422 O CYS A 29 24.329 6.345 5.515 1.00 0.00 O ATOM 423 CB CYS A 29 22.666 5.093 7.988 1.00 0.00 C ATOM 424 SG CYS A 29 22.973 3.322 8.188 1.00 0.00 S ATOM 0 H CYS A 29 22.463 7.481 7.983 1.00 0.00 H new ATOM 0 HA CYS A 29 24.605 5.781 8.669 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.080 5.436 8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.050 5.234 7.100 1.00 0.00 H new ATOM 429 N GLY A 30 25.511 4.719 6.541 1.00 0.00 N ATOM 430 CA GLY A 30 26.151 4.169 5.350 1.00 0.00 C ATOM 431 C GLY A 30 25.494 2.852 4.924 1.00 0.00 C ATOM 432 O GLY A 30 24.879 2.817 3.858 1.00 0.00 O ATOM 0 H GLY A 30 25.808 4.257 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.088 4.890 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.210 4.003 5.547 1.00 0.00 H new ATOM 436 N PRO A 31 25.527 1.776 5.738 1.00 0.00 N ATOM 437 CA PRO A 31 25.032 0.464 5.317 1.00 0.00 C ATOM 438 C PRO A 31 23.524 0.444 5.048 1.00 0.00 C ATOM 439 O PRO A 31 23.064 -0.333 4.213 1.00 0.00 O ATOM 440 CB PRO A 31 25.452 -0.522 6.415 1.00 0.00 C ATOM 441 CG PRO A 31 25.717 0.354 7.637 1.00 0.00 C ATOM 442 CD PRO A 31 26.174 1.682 7.039 1.00 0.00 C ATOM 0 HA PRO A 31 25.465 0.185 4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.668 -1.252 6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.342 -1.081 6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.820 0.476 8.244 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.482 -0.079 8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.889 2.517 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.259 1.713 6.939 1.00 0.00 H new ATOM 450 N CYS A 32 22.749 1.334 5.677 1.00 0.00 N ATOM 451 CA CYS A 32 21.322 1.486 5.400 1.00 0.00 C ATOM 452 C CYS A 32 21.069 1.807 3.921 1.00 0.00 C ATOM 453 O CYS A 32 20.086 1.350 3.342 1.00 0.00 O ATOM 454 CB CYS A 32 20.725 2.598 6.271 1.00 0.00 C ATOM 455 SG CYS A 32 21.099 2.545 8.049 1.00 0.00 S ATOM 0 H CYS A 32 23.098 1.970 6.394 1.00 0.00 H new ATOM 0 HA CYS A 32 20.840 0.537 5.636 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.070 3.556 5.881 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.642 2.577 6.152 1.00 0.00 H new ATOM 460 N LYS A 33 21.971 2.563 3.284 1.00 0.00 N ATOM 461 CA LYS A 33 21.837 2.943 1.882 1.00 0.00 C ATOM 462 C LYS A 33 21.978 1.727 0.963 1.00 0.00 C ATOM 463 O LYS A 33 21.474 1.767 -0.157 1.00 0.00 O ATOM 464 CB LYS A 33 22.869 4.029 1.516 1.00 0.00 C ATOM 465 CG LYS A 33 22.953 5.217 2.495 1.00 0.00 C ATOM 466 CD LYS A 33 21.665 6.053 2.606 1.00 0.00 C ATOM 467 CE LYS A 33 21.725 7.079 3.755 1.00 0.00 C ATOM 468 NZ LYS A 33 22.915 7.962 3.681 1.00 0.00 N ATOM 0 H LYS A 33 22.813 2.926 3.731 1.00 0.00 H new ATOM 0 HA LYS A 33 20.838 3.354 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.853 3.564 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.631 4.413 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.210 4.837 3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.768 5.870 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.493 6.576 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.816 5.387 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.823 7.691 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.731 6.550 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.739 8.828 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.740 7.466 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.101 8.212 2.689 1.00 0.00 H new ATOM 482 N MET A 34 22.632 0.649 1.417 1.00 0.00 N ATOM 483 CA MET A 34 22.753 -0.582 0.650 1.00 0.00 C ATOM 484 C MET A 34 21.408 -1.301 0.584 1.00 0.00 C ATOM 485 O MET A 34 21.029 -1.785 -0.481 1.00 0.00 O ATOM 486 CB MET A 34 23.806 -1.524 1.259 1.00 0.00 C ATOM 487 CG MET A 34 25.187 -0.880 1.435 1.00 0.00 C ATOM 488 SD MET A 34 26.507 -2.015 1.964 1.00 0.00 S ATOM 489 CE MET A 34 25.726 -2.864 3.369 1.00 0.00 C ATOM 0 H MET A 34 23.090 0.614 2.328 1.00 0.00 H new ATOM 0 HA MET A 34 23.073 -0.310 -0.356 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.451 -1.871 2.229 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.904 -2.403 0.623 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.480 -0.422 0.490 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.105 -0.076 2.167 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.494 -3.186 4.072 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.038 -2.182 3.869 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.177 -3.734 3.009 1.00 0.00 H new ATOM 499 N ILE A 35 20.684 -1.381 1.708 1.00 0.00 N ATOM 500 CA ILE A 35 19.425 -2.117 1.785 1.00 0.00 C ATOM 501 C ILE A 35 18.239 -1.266 1.303 1.00 0.00 C ATOM 502 O ILE A 35 17.251 -1.832 0.852 1.00 0.00 O ATOM 503 CB ILE A 35 19.233 -2.757 3.186 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.109 -3.820 3.151 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.031 -1.705 4.288 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.890 -4.567 4.472 1.00 0.00 C ATOM 0 H ILE A 35 20.957 -0.937 2.585 1.00 0.00 H new ATOM 0 HA ILE A 35 19.468 -2.955 1.089 1.00 0.00 H new ATOM 0 HB ILE A 35 20.157 -3.273 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.176 -3.333 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.340 -4.547 2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 35 18.901 -2.204 5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 35 19.903 -1.053 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.145 -1.111 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.084 -5.291 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.806 -5.087 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.624 -3.855 5.253 1.00 0.00 H new ATOM 518 N ALA A 36 18.321 0.071 1.328 1.00 0.00 N ATOM 519 CA ALA A 36 17.248 0.953 0.859 1.00 0.00 C ATOM 520 C ALA A 36 16.680 0.580 -0.532 1.00 0.00 C ATOM 521 O ALA A 36 15.463 0.400 -0.634 1.00 0.00 O ATOM 522 CB ALA A 36 17.708 2.415 0.929 1.00 0.00 C ATOM 0 H ALA A 36 19.138 0.572 1.676 1.00 0.00 H new ATOM 0 HA ALA A 36 16.405 0.813 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.907 3.066 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.958 2.669 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.587 2.551 0.298 1.00 0.00 H new ATOM 528 N PRO A 37 17.487 0.386 -1.598 1.00 0.00 N ATOM 529 CA PRO A 37 16.948 -0.035 -2.888 1.00 0.00 C ATOM 530 C PRO A 37 16.369 -1.451 -2.836 1.00 0.00 C ATOM 531 O PRO A 37 15.419 -1.749 -3.556 1.00 0.00 O ATOM 532 CB PRO A 37 18.100 0.085 -3.891 1.00 0.00 C ATOM 533 CG PRO A 37 19.348 -0.032 -3.021 1.00 0.00 C ATOM 534 CD PRO A 37 18.917 0.632 -1.716 1.00 0.00 C ATOM 0 HA PRO A 37 16.110 0.595 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.060 -0.703 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.070 1.036 -4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.638 -1.072 -2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.202 0.475 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.457 0.213 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.130 1.701 -1.733 1.00 0.00 H new ATOM 542 N VAL A 38 16.890 -2.322 -1.971 1.00 0.00 N ATOM 543 CA VAL A 38 16.348 -3.657 -1.773 1.00 0.00 C ATOM 544 C VAL A 38 14.967 -3.563 -1.112 1.00 0.00 C ATOM 545 O VAL A 38 14.080 -4.330 -1.472 1.00 0.00 O ATOM 546 CB VAL A 38 17.325 -4.544 -0.972 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.920 -6.018 -1.082 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.776 -4.433 -1.467 1.00 0.00 C ATOM 0 H VAL A 38 17.702 -2.116 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 38 16.223 -4.139 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 38 17.272 -4.189 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.618 -6.631 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.914 -6.149 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.939 -6.324 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.416 -5.079 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.829 -4.741 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.114 -3.401 -1.375 1.00 0.00 H new ATOM 558 N LEU A 39 14.739 -2.617 -0.191 1.00 0.00 N ATOM 559 CA LEU A 39 13.418 -2.355 0.370 1.00 0.00 C ATOM 560 C LEU A 39 12.476 -1.785 -0.684 1.00 0.00 C ATOM 561 O LEU A 39 11.300 -2.133 -0.676 1.00 0.00 O ATOM 562 CB LEU A 39 13.496 -1.406 1.578 1.00 0.00 C ATOM 563 CG LEU A 39 14.153 -2.057 2.806 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.500 -0.983 3.841 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.252 -3.122 3.448 1.00 0.00 C ATOM 0 H LEU A 39 15.471 -2.013 0.183 1.00 0.00 H new ATOM 0 HA LEU A 39 13.020 -3.310 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.060 -0.516 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.491 -1.077 1.841 1.00 0.00 H new ATOM 0 HG LEU A 39 15.061 -2.554 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.965 -1.451 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.192 -0.264 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.590 -0.468 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.758 -3.554 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.317 -2.663 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.041 -3.906 2.721 1.00 0.00 H new ATOM 577 N GLU A 40 12.959 -0.952 -1.607 1.00 0.00 N ATOM 578 CA GLU A 40 12.144 -0.533 -2.748 1.00 0.00 C ATOM 579 C GLU A 40 11.759 -1.738 -3.614 1.00 0.00 C ATOM 580 O GLU A 40 10.610 -1.863 -4.046 1.00 0.00 O ATOM 581 CB GLU A 40 12.837 0.563 -3.573 1.00 0.00 C ATOM 582 CG GLU A 40 12.917 1.895 -2.816 1.00 0.00 C ATOM 583 CD GLU A 40 13.546 3.001 -3.682 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.816 3.663 -4.455 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.771 3.239 -3.587 1.00 0.00 O ATOM 0 H GLU A 40 13.900 -0.558 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 40 11.225 -0.097 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.843 0.236 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.295 0.710 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.917 2.199 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.506 1.764 -1.908 1.00 0.00 H new ATOM 592 N GLU A 41 12.692 -2.653 -3.868 1.00 0.00 N ATOM 593 CA GLU A 41 12.403 -3.876 -4.606 1.00 0.00 C ATOM 594 C GLU A 41 11.407 -4.745 -3.830 1.00 0.00 C ATOM 595 O GLU A 41 10.484 -5.292 -4.425 1.00 0.00 O ATOM 596 CB GLU A 41 13.696 -4.630 -4.948 1.00 0.00 C ATOM 597 CG GLU A 41 14.476 -3.922 -6.068 1.00 0.00 C ATOM 598 CD GLU A 41 15.797 -4.641 -6.385 1.00 0.00 C ATOM 599 OE1 GLU A 41 15.768 -5.646 -7.130 1.00 0.00 O ATOM 600 OE2 GLU A 41 16.873 -4.201 -5.921 1.00 0.00 O ATOM 0 H GLU A 41 13.663 -2.567 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 41 11.934 -3.613 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.321 -4.706 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.455 -5.647 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.861 -3.877 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.684 -2.894 -5.773 1.00 0.00 H new ATOM 607 N LEU A 42 11.539 -4.822 -2.504 1.00 0.00 N ATOM 608 CA LEU A 42 10.620 -5.554 -1.639 1.00 0.00 C ATOM 609 C LEU A 42 9.222 -4.944 -1.717 1.00 0.00 C ATOM 610 O LEU A 42 8.238 -5.676 -1.818 1.00 0.00 O ATOM 611 CB LEU A 42 11.135 -5.551 -0.188 1.00 0.00 C ATOM 612 CG LEU A 42 10.290 -6.430 0.753 1.00 0.00 C ATOM 613 CD1 LEU A 42 10.429 -7.917 0.407 1.00 0.00 C ATOM 614 CD2 LEU A 42 10.726 -6.183 2.200 1.00 0.00 C ATOM 0 H LEU A 42 12.300 -4.370 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 42 10.564 -6.588 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.167 -5.901 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.141 -4.528 0.187 1.00 0.00 H new ATOM 0 HG LEU A 42 9.241 -6.160 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.820 -8.508 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.093 -8.085 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.473 -8.216 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.131 -6.803 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.780 -6.437 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.578 -5.133 2.450 1.00 0.00 H new ATOM 626 N ASP A 43 9.120 -3.614 -1.714 1.00 0.00 N ATOM 627 CA ASP A 43 7.854 -2.907 -1.859 1.00 0.00 C ATOM 628 C ASP A 43 7.183 -3.272 -3.175 1.00 0.00 C ATOM 629 O ASP A 43 5.987 -3.554 -3.217 1.00 0.00 O ATOM 630 CB ASP A 43 8.063 -1.392 -1.822 1.00 0.00 C ATOM 631 CG ASP A 43 6.705 -0.685 -1.782 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.002 -0.819 -0.758 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.354 0.015 -2.760 1.00 0.00 O ATOM 0 H ASP A 43 9.924 -2.995 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 43 7.219 -3.206 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.653 -1.118 -0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.625 -1.071 -2.699 1.00 0.00 H new ATOM 638 N GLN A 44 7.971 -3.327 -4.245 1.00 0.00 N ATOM 639 CA GLN A 44 7.489 -3.664 -5.577 1.00 0.00 C ATOM 640 C GLN A 44 7.112 -5.154 -5.713 1.00 0.00 C ATOM 641 O GLN A 44 6.480 -5.530 -6.702 1.00 0.00 O ATOM 642 CB GLN A 44 8.529 -3.211 -6.611 1.00 0.00 C ATOM 643 CG GLN A 44 8.617 -1.675 -6.660 1.00 0.00 C ATOM 644 CD GLN A 44 9.833 -1.218 -7.462 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.761 -0.971 -8.665 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.978 -1.106 -6.811 1.00 0.00 N ATOM 0 H GLN A 44 8.972 -3.136 -4.209 1.00 0.00 H new ATOM 0 HA GLN A 44 6.558 -3.129 -5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.504 -3.628 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.262 -3.596 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.709 -1.270 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.677 -1.279 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.020 -1.315 -5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.819 -0.811 -7.306 1.00 0.00 H new ATOM 655 N GLU A 45 7.453 -5.997 -4.733 1.00 0.00 N ATOM 656 CA GLU A 45 7.191 -7.433 -4.723 1.00 0.00 C ATOM 657 C GLU A 45 6.072 -7.798 -3.748 1.00 0.00 C ATOM 658 O GLU A 45 5.370 -8.784 -3.982 1.00 0.00 O ATOM 659 CB GLU A 45 8.481 -8.177 -4.335 1.00 0.00 C ATOM 660 CG GLU A 45 9.508 -8.201 -5.477 1.00 0.00 C ATOM 661 CD GLU A 45 9.085 -9.127 -6.633 1.00 0.00 C ATOM 662 OE1 GLU A 45 9.255 -10.362 -6.527 1.00 0.00 O ATOM 663 OE2 GLU A 45 8.598 -8.631 -7.674 1.00 0.00 O ATOM 0 H GLU A 45 7.938 -5.681 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 45 6.868 -7.729 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.924 -7.699 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.236 -9.200 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.646 -7.189 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.472 -8.529 -5.087 1.00 0.00 H new ATOM 670 N MET A 46 5.883 -7.018 -2.680 1.00 0.00 N ATOM 671 CA MET A 46 5.010 -7.385 -1.567 1.00 0.00 C ATOM 672 C MET A 46 4.046 -6.277 -1.154 1.00 0.00 C ATOM 673 O MET A 46 3.236 -6.510 -0.260 1.00 0.00 O ATOM 674 CB MET A 46 5.851 -7.808 -0.355 1.00 0.00 C ATOM 675 CG MET A 46 6.863 -8.913 -0.673 1.00 0.00 C ATOM 676 SD MET A 46 7.283 -9.916 0.769 1.00 0.00 S ATOM 677 CE MET A 46 5.905 -11.088 0.701 1.00 0.00 C ATOM 0 H MET A 46 6.334 -6.111 -2.565 1.00 0.00 H new ATOM 0 HA MET A 46 4.401 -8.217 -1.921 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.383 -6.938 0.030 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.186 -8.152 0.437 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.457 -9.558 -1.452 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.771 -8.463 -1.073 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.991 -11.798 1.523 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.963 -10.547 0.785 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.931 -11.626 -0.247 1.00 0.00 H new ATOM 687 N GLY A 47 4.086 -5.097 -1.779 1.00 0.00 N ATOM 688 CA GLY A 47 3.300 -3.920 -1.395 1.00 0.00 C ATOM 689 C GLY A 47 1.782 -4.136 -1.304 1.00 0.00 C ATOM 690 O GLY A 47 1.076 -3.317 -0.720 1.00 0.00 O ATOM 0 H GLY A 47 4.683 -4.929 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.657 -3.567 -0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.493 -3.125 -2.116 1.00 0.00 H new ATOM 694 N ASP A 48 1.267 -5.231 -1.869 1.00 0.00 N ATOM 695 CA ASP A 48 -0.134 -5.634 -1.783 1.00 0.00 C ATOM 696 C ASP A 48 -0.516 -6.092 -0.366 1.00 0.00 C ATOM 697 O ASP A 48 -1.665 -5.937 0.050 1.00 0.00 O ATOM 698 CB ASP A 48 -0.396 -6.765 -2.783 1.00 0.00 C ATOM 699 CG ASP A 48 -1.857 -7.233 -2.733 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.751 -6.497 -3.209 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.110 -8.359 -2.249 1.00 0.00 O ATOM 0 H ASP A 48 1.833 -5.880 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.750 -4.767 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.156 -6.424 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.264 -7.605 -2.565 1.00 0.00 H new ATOM 706 N LYS A 49 0.454 -6.630 0.386 1.00 0.00 N ATOM 707 CA LYS A 49 0.287 -7.180 1.732 1.00 0.00 C ATOM 708 C LYS A 49 1.216 -6.521 2.749 1.00 0.00 C ATOM 709 O LYS A 49 0.985 -6.680 3.949 1.00 0.00 O ATOM 710 CB LYS A 49 0.576 -8.693 1.694 1.00 0.00 C ATOM 711 CG LYS A 49 -0.445 -9.488 0.868 1.00 0.00 C ATOM 712 CD LYS A 49 -1.805 -9.583 1.583 1.00 0.00 C ATOM 713 CE LYS A 49 -2.813 -10.451 0.818 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.475 -9.726 -0.294 1.00 0.00 N ATOM 0 H LYS A 49 1.417 -6.695 0.056 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.738 -6.983 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.572 -8.855 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.587 -9.079 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.577 -9.012 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.061 -10.491 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.659 -9.996 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.216 -8.581 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.301 -11.327 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.572 -10.813 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.884 -10.412 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.230 -9.120 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.776 -9.137 -0.789 1.00 0.00 H new ATOM 728 N LEU A 50 2.253 -5.810 2.301 1.00 0.00 N ATOM 729 CA LEU A 50 3.311 -5.296 3.150 1.00 0.00 C ATOM 730 C LEU A 50 3.360 -3.779 3.071 1.00 0.00 C ATOM 731 O LEU A 50 3.309 -3.202 1.986 1.00 0.00 O ATOM 732 CB LEU A 50 4.650 -5.875 2.675 1.00 0.00 C ATOM 733 CG LEU A 50 5.873 -5.418 3.488 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.794 -5.928 4.927 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.143 -5.928 2.810 1.00 0.00 C ATOM 0 H LEU A 50 2.376 -5.575 1.316 1.00 0.00 H new ATOM 0 HA LEU A 50 3.119 -5.587 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.593 -6.963 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.800 -5.598 1.632 1.00 0.00 H new ATOM 0 HG LEU A 50 5.890 -4.329 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.670 -5.591 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.893 -5.539 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.762 -7.018 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.014 -5.608 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.119 -7.017 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.203 -5.524 1.799 1.00 0.00 H new ATOM 747 N LYS A 51 3.567 -3.156 4.226 1.00 0.00 N ATOM 748 CA LYS A 51 3.896 -1.743 4.361 1.00 0.00 C ATOM 749 C LYS A 51 5.334 -1.719 4.863 1.00 0.00 C ATOM 750 O LYS A 51 5.711 -2.591 5.650 1.00 0.00 O ATOM 751 CB LYS A 51 2.929 -1.077 5.356 1.00 0.00 C ATOM 752 CG LYS A 51 3.167 0.438 5.492 1.00 0.00 C ATOM 753 CD LYS A 51 2.391 1.061 6.657 1.00 0.00 C ATOM 754 CE LYS A 51 0.877 1.071 6.412 1.00 0.00 C ATOM 755 NZ LYS A 51 0.177 1.758 7.513 1.00 0.00 N ATOM 0 H LYS A 51 3.508 -3.637 5.123 1.00 0.00 H new ATOM 0 HA LYS A 51 3.801 -1.191 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.903 -1.252 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.039 -1.547 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.232 0.622 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.877 0.931 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.605 0.506 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.737 2.082 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.659 1.570 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.511 0.048 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.849 1.725 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.397 1.285 8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.489 2.749 7.558 1.00 0.00 H new ATOM 769 N ILE A 52 6.125 -0.734 4.454 1.00 0.00 N ATOM 770 CA ILE A 52 7.480 -0.559 4.963 1.00 0.00 C ATOM 771 C ILE A 52 7.484 0.792 5.675 1.00 0.00 C ATOM 772 O ILE A 52 6.864 1.732 5.185 1.00 0.00 O ATOM 773 CB ILE A 52 8.516 -0.719 3.825 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.454 -2.157 3.249 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.945 -0.391 4.301 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.348 -2.392 2.025 1.00 0.00 C ATOM 0 H ILE A 52 5.847 -0.037 3.763 1.00 0.00 H new ATOM 0 HA ILE A 52 7.778 -1.325 5.679 1.00 0.00 H new ATOM 0 HB ILE A 52 8.262 -0.006 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.739 -2.861 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.422 -2.382 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.642 -0.516 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.983 0.639 4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.222 -1.064 5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.242 -3.424 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.051 -1.717 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.388 -2.203 2.292 1.00 0.00 H new ATOM 788 N VAL A 53 8.135 0.903 6.834 1.00 0.00 N ATOM 789 CA VAL A 53 8.051 2.099 7.678 1.00 0.00 C ATOM 790 C VAL A 53 9.464 2.494 8.099 1.00 0.00 C ATOM 791 O VAL A 53 10.038 1.912 9.020 1.00 0.00 O ATOM 792 CB VAL A 53 7.085 1.853 8.863 1.00 0.00 C ATOM 793 CG1 VAL A 53 7.032 3.054 9.821 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.649 1.607 8.372 1.00 0.00 C ATOM 0 H VAL A 53 8.734 0.170 7.214 1.00 0.00 H new ATOM 0 HA VAL A 53 7.628 2.941 7.130 1.00 0.00 H new ATOM 0 HB VAL A 53 7.472 0.976 9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.343 2.838 10.637 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.027 3.241 10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.689 3.936 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.996 1.438 9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.300 2.477 7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.631 0.731 7.723 1.00 0.00 H new ATOM 804 N LYS A 54 10.058 3.471 7.412 1.00 0.00 N ATOM 805 CA LYS A 54 11.359 4.002 7.809 1.00 0.00 C ATOM 806 C LYS A 54 11.151 4.874 9.046 1.00 0.00 C ATOM 807 O LYS A 54 10.175 5.630 9.100 1.00 0.00 O ATOM 808 CB LYS A 54 11.995 4.793 6.652 1.00 0.00 C ATOM 809 CG LYS A 54 12.185 3.923 5.394 1.00 0.00 C ATOM 810 CD LYS A 54 12.884 4.659 4.243 1.00 0.00 C ATOM 811 CE LYS A 54 14.317 5.064 4.617 1.00 0.00 C ATOM 812 NZ LYS A 54 15.063 5.632 3.466 1.00 0.00 N ATOM 0 H LYS A 54 9.659 3.908 6.581 1.00 0.00 H new ATOM 0 HA LYS A 54 12.048 3.192 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.366 5.649 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.960 5.187 6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.767 3.040 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.211 3.573 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.905 4.019 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.312 5.548 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.286 5.797 5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.850 4.193 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.024 5.890 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.117 4.925 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.571 6.479 3.117 1.00 0.00 H new ATOM 826 N ILE A 55 12.062 4.811 10.016 1.00 0.00 N ATOM 827 CA ILE A 55 12.009 5.634 11.221 1.00 0.00 C ATOM 828 C ILE A 55 13.439 6.038 11.600 1.00 0.00 C ATOM 829 O ILE A 55 14.355 5.208 11.645 1.00 0.00 O ATOM 830 CB ILE A 55 11.191 4.930 12.333 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.141 5.810 13.602 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.673 3.504 12.656 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.030 5.411 14.580 1.00 0.00 C ATOM 0 H ILE A 55 12.864 4.182 9.986 1.00 0.00 H new ATOM 0 HA ILE A 55 11.466 6.563 11.049 1.00 0.00 H new ATOM 0 HB ILE A 55 10.181 4.808 11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.102 5.752 14.113 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.999 6.850 13.308 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.050 3.079 13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.601 2.884 11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.710 3.538 12.991 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.054 6.071 15.447 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.062 5.497 14.086 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.182 4.381 14.903 1.00 0.00 H new ATOM 845 N ASP A 56 13.623 7.350 11.789 1.00 0.00 N ATOM 846 CA ASP A 56 14.928 7.986 11.944 1.00 0.00 C ATOM 847 C ASP A 56 15.332 7.957 13.414 1.00 0.00 C ATOM 848 O ASP A 56 14.750 8.683 14.228 1.00 0.00 O ATOM 849 CB ASP A 56 14.892 9.428 11.420 1.00 0.00 C ATOM 850 CG ASP A 56 16.250 10.151 11.539 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.238 9.556 12.023 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.317 11.328 11.115 1.00 0.00 O ATOM 0 H ASP A 56 12.848 8.011 11.839 1.00 0.00 H new ATOM 0 HA ASP A 56 15.666 7.437 11.359 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.582 9.421 10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.139 9.990 11.972 1.00 0.00 H new ATOM 857 N VAL A 57 16.296 7.117 13.780 1.00 0.00 N ATOM 858 CA VAL A 57 16.732 6.959 15.163 1.00 0.00 C ATOM 859 C VAL A 57 17.303 8.261 15.742 1.00 0.00 C ATOM 860 O VAL A 57 17.290 8.422 16.964 1.00 0.00 O ATOM 861 CB VAL A 57 17.705 5.769 15.315 1.00 0.00 C ATOM 862 CG1 VAL A 57 17.044 4.462 14.852 1.00 0.00 C ATOM 863 CG2 VAL A 57 19.039 5.946 14.576 1.00 0.00 C ATOM 0 H VAL A 57 16.799 6.523 13.121 1.00 0.00 H new ATOM 0 HA VAL A 57 15.848 6.725 15.757 1.00 0.00 H new ATOM 0 HB VAL A 57 17.936 5.727 16.379 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.747 3.638 14.968 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.157 4.269 15.455 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.758 4.550 13.804 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.662 5.066 14.735 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.851 6.069 13.510 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.552 6.828 14.958 1.00 0.00 H new ATOM 873 N ASP A 58 17.741 9.220 14.914 1.00 0.00 N ATOM 874 CA ASP A 58 18.267 10.504 15.389 1.00 0.00 C ATOM 875 C ASP A 58 17.173 11.382 16.010 1.00 0.00 C ATOM 876 O ASP A 58 17.481 12.315 16.753 1.00 0.00 O ATOM 877 CB ASP A 58 18.972 11.258 14.255 1.00 0.00 C ATOM 878 CG ASP A 58 19.682 12.522 14.771 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.630 12.401 15.579 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.339 13.638 14.321 1.00 0.00 O ATOM 0 H ASP A 58 17.740 9.126 13.898 1.00 0.00 H new ATOM 0 HA ASP A 58 18.993 10.280 16.170 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.699 10.601 13.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.243 11.535 13.493 1.00 0.00 H new ATOM 885 N GLU A 59 15.894 11.047 15.799 1.00 0.00 N ATOM 886 CA GLU A 59 14.752 11.775 16.356 1.00 0.00 C ATOM 887 C GLU A 59 13.787 10.843 17.112 1.00 0.00 C ATOM 888 O GLU A 59 12.778 11.313 17.638 1.00 0.00 O ATOM 889 CB GLU A 59 14.023 12.534 15.230 1.00 0.00 C ATOM 890 CG GLU A 59 14.894 13.616 14.575 1.00 0.00 C ATOM 891 CD GLU A 59 14.062 14.531 13.657 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.737 14.138 12.514 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.733 15.670 14.065 1.00 0.00 O ATOM 0 H GLU A 59 15.621 10.248 15.226 1.00 0.00 H new ATOM 0 HA GLU A 59 15.128 12.492 17.085 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.702 11.823 14.468 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.122 12.996 15.634 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.375 14.215 15.348 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.689 13.144 13.997 1.00 0.00 H new ATOM 900 N ASN A 60 14.079 9.536 17.189 1.00 0.00 N ATOM 901 CA ASN A 60 13.140 8.518 17.677 1.00 0.00 C ATOM 902 C ASN A 60 13.848 7.502 18.581 1.00 0.00 C ATOM 903 O ASN A 60 13.610 6.295 18.487 1.00 0.00 O ATOM 904 CB ASN A 60 12.406 7.854 16.497 1.00 0.00 C ATOM 905 CG ASN A 60 11.561 8.850 15.711 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.480 9.244 16.136 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.035 9.301 14.563 1.00 0.00 N ATOM 0 H ASN A 60 14.983 9.154 16.911 1.00 0.00 H new ATOM 0 HA ASN A 60 12.383 9.003 18.293 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.135 7.393 15.831 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.767 7.054 16.872 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.501 9.982 14.023 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.935 8.968 14.217 1.00 0.00 H new ATOM 914 N GLN A 61 14.734 7.987 19.460 1.00 0.00 N ATOM 915 CA GLN A 61 15.428 7.157 20.444 1.00 0.00 C ATOM 916 C GLN A 61 14.454 6.352 21.308 1.00 0.00 C ATOM 917 O GLN A 61 14.791 5.249 21.726 1.00 0.00 O ATOM 918 CB GLN A 61 16.312 8.011 21.368 1.00 0.00 C ATOM 919 CG GLN A 61 17.448 8.739 20.637 1.00 0.00 C ATOM 920 CD GLN A 61 17.094 10.167 20.227 1.00 0.00 C ATOM 921 OE1 GLN A 61 16.908 11.055 21.056 1.00 0.00 O ATOM 922 NE2 GLN A 61 16.998 10.414 18.935 1.00 0.00 N ATOM 0 H GLN A 61 14.989 8.974 19.506 1.00 0.00 H new ATOM 0 HA GLN A 61 16.049 6.466 19.874 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.688 8.747 21.875 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.740 7.371 22.140 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.327 8.762 21.281 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.719 8.171 19.747 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.155 9.666 18.260 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.766 11.353 18.611 1.00 0.00 H new ATOM 931 N GLU A 62 13.256 6.879 21.577 1.00 0.00 N ATOM 932 CA GLU A 62 12.275 6.199 22.416 1.00 0.00 C ATOM 933 C GLU A 62 11.813 4.899 21.751 1.00 0.00 C ATOM 934 O GLU A 62 11.803 3.847 22.390 1.00 0.00 O ATOM 935 CB GLU A 62 11.079 7.124 22.700 1.00 0.00 C ATOM 936 CG GLU A 62 11.438 8.365 23.531 1.00 0.00 C ATOM 937 CD GLU A 62 11.940 8.011 24.944 1.00 0.00 C ATOM 938 OE1 GLU A 62 11.113 7.683 25.825 1.00 0.00 O ATOM 939 OE2 GLU A 62 13.164 8.080 25.199 1.00 0.00 O ATOM 0 H GLU A 62 12.944 7.782 21.221 1.00 0.00 H new ATOM 0 HA GLU A 62 12.744 5.947 23.367 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.647 7.445 21.752 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.310 6.557 23.225 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.206 8.936 23.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.562 9.009 23.612 1.00 0.00 H new ATOM 946 N THR A 63 11.482 4.942 20.459 1.00 0.00 N ATOM 947 CA THR A 63 11.007 3.782 19.720 1.00 0.00 C ATOM 948 C THR A 63 12.162 2.797 19.517 1.00 0.00 C ATOM 949 O THR A 63 11.977 1.594 19.639 1.00 0.00 O ATOM 950 CB THR A 63 10.433 4.231 18.366 1.00 0.00 C ATOM 951 OG1 THR A 63 10.012 5.579 18.392 1.00 0.00 O ATOM 952 CG2 THR A 63 9.271 3.365 17.874 1.00 0.00 C ATOM 0 H THR A 63 11.538 5.791 19.897 1.00 0.00 H new ATOM 0 HA THR A 63 10.218 3.284 20.284 1.00 0.00 H new ATOM 0 HB THR A 63 11.261 4.114 17.667 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.352 5.702 19.106 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.918 3.741 16.914 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.608 2.335 17.758 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.458 3.401 18.599 1.00 0.00 H new ATOM 960 N ALA A 64 13.376 3.289 19.256 1.00 0.00 N ATOM 961 CA ALA A 64 14.572 2.458 19.199 1.00 0.00 C ATOM 962 C ALA A 64 14.771 1.722 20.531 1.00 0.00 C ATOM 963 O ALA A 64 14.937 0.501 20.549 1.00 0.00 O ATOM 964 CB ALA A 64 15.776 3.342 18.845 1.00 0.00 C ATOM 0 H ALA A 64 13.553 4.278 19.078 1.00 0.00 H new ATOM 0 HA ALA A 64 14.465 1.697 18.426 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.676 2.729 18.800 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.609 3.813 17.877 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.899 4.112 19.607 1.00 0.00 H new ATOM 970 N GLY A 65 14.675 2.442 21.650 1.00 0.00 N ATOM 971 CA GLY A 65 14.790 1.886 22.992 1.00 0.00 C ATOM 972 C GLY A 65 13.706 0.849 23.284 1.00 0.00 C ATOM 973 O GLY A 65 13.962 -0.102 24.024 1.00 0.00 O ATOM 0 H GLY A 65 14.512 3.449 21.644 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.771 1.426 23.110 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.726 2.692 23.724 1.00 0.00 H new ATOM 977 N LYS A 66 12.529 0.974 22.658 1.00 0.00 N ATOM 978 CA LYS A 66 11.405 0.050 22.803 1.00 0.00 C ATOM 979 C LYS A 66 11.805 -1.391 22.474 1.00 0.00 C ATOM 980 O LYS A 66 11.242 -2.315 23.065 1.00 0.00 O ATOM 981 CB LYS A 66 10.241 0.530 21.922 1.00 0.00 C ATOM 982 CG LYS A 66 8.895 -0.069 22.354 1.00 0.00 C ATOM 983 CD LYS A 66 7.747 0.668 21.658 1.00 0.00 C ATOM 984 CE LYS A 66 6.401 0.020 22.013 1.00 0.00 C ATOM 985 NZ LYS A 66 5.255 0.725 21.383 1.00 0.00 N ATOM 0 H LYS A 66 12.330 1.744 22.019 1.00 0.00 H new ATOM 0 HA LYS A 66 11.085 0.046 23.845 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.182 1.618 21.964 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.439 0.261 20.884 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.862 -1.129 22.104 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.784 0.007 23.436 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.744 1.716 21.959 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.894 0.647 20.578 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.405 -1.022 21.692 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.274 0.019 23.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.368 0.253 21.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.234 1.713 21.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.360 0.704 20.349 1.00 0.00 H new ATOM 999 N TYR A 67 12.796 -1.587 21.595 1.00 0.00 N ATOM 1000 CA TYR A 67 13.291 -2.913 21.209 1.00 0.00 C ATOM 1001 C TYR A 67 14.799 -3.061 21.467 1.00 0.00 C ATOM 1002 O TYR A 67 15.406 -4.035 21.020 1.00 0.00 O ATOM 1003 CB TYR A 67 12.944 -3.209 19.740 1.00 0.00 C ATOM 1004 CG TYR A 67 11.633 -2.623 19.261 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.413 -3.280 19.510 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.638 -1.363 18.637 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.198 -2.668 19.151 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.434 -0.739 18.294 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.203 -1.385 18.552 1.00 0.00 C ATOM 1010 OH TYR A 67 8.033 -0.758 18.252 1.00 0.00 O ATOM 0 H TYR A 67 13.281 -0.821 21.127 1.00 0.00 H new ATOM 0 HA TYR A 67 12.790 -3.650 21.837 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.747 -2.828 19.109 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.914 -4.290 19.600 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.410 -4.254 19.977 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.577 -0.874 18.421 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.262 -3.176 19.332 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.445 0.237 17.832 1.00 0.00 H new ATOM 0 HH TYR A 67 8.117 -0.306 17.387 1.00 0.00 H new ATOM 1020 N GLY A 68 15.418 -2.104 22.169 1.00 0.00 N ATOM 1021 CA GLY A 68 16.855 -2.091 22.424 1.00 0.00 C ATOM 1022 C GLY A 68 17.680 -1.960 21.138 1.00 0.00 C ATOM 1023 O GLY A 68 18.774 -2.519 21.061 1.00 0.00 O ATOM 0 H GLY A 68 14.926 -1.310 22.578 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.095 -1.263 23.091 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.137 -3.008 22.941 1.00 0.00 H new ATOM 1027 N VAL A 69 17.163 -1.264 20.121 1.00 0.00 N ATOM 1028 CA VAL A 69 17.912 -0.941 18.910 1.00 0.00 C ATOM 1029 C VAL A 69 19.071 -0.023 19.323 1.00 0.00 C ATOM 1030 O VAL A 69 18.846 1.022 19.940 1.00 0.00 O ATOM 1031 CB VAL A 69 16.983 -0.290 17.858 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.737 0.025 16.559 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.766 -1.168 17.530 1.00 0.00 C ATOM 0 H VAL A 69 16.207 -0.908 20.118 1.00 0.00 H new ATOM 0 HA VAL A 69 18.315 -1.838 18.439 1.00 0.00 H new ATOM 0 HB VAL A 69 16.630 0.639 18.306 1.00 0.00 H new ATOM 0 HG11 VAL A 69 17.053 0.481 15.843 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.554 0.715 16.771 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.140 -0.897 16.139 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.145 -0.667 16.787 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.104 -2.126 17.134 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.183 -1.336 18.436 1.00 0.00 H new ATOM 1043 N MET A 70 20.303 -0.414 18.986 1.00 0.00 N ATOM 1044 CA MET A 70 21.536 0.316 19.312 1.00 0.00 C ATOM 1045 C MET A 70 22.503 0.354 18.115 1.00 0.00 C ATOM 1046 O MET A 70 23.609 0.887 18.228 1.00 0.00 O ATOM 1047 CB MET A 70 22.205 -0.331 20.538 1.00 0.00 C ATOM 1048 CG MET A 70 21.398 -0.133 21.829 1.00 0.00 C ATOM 1049 SD MET A 70 22.161 -0.812 23.331 1.00 0.00 S ATOM 1050 CE MET A 70 21.972 -2.592 23.024 1.00 0.00 C ATOM 0 H MET A 70 20.478 -1.272 18.463 1.00 0.00 H new ATOM 0 HA MET A 70 21.277 1.348 19.547 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.334 -1.398 20.355 1.00 0.00 H new ATOM 0 HB3 MET A 70 23.201 0.092 20.669 1.00 0.00 H new ATOM 0 HG2 MET A 70 21.233 0.935 21.975 1.00 0.00 H new ATOM 0 HG3 MET A 70 20.418 -0.592 21.700 1.00 0.00 H new ATOM 0 HE1 MET A 70 22.312 -3.150 23.897 1.00 0.00 H new ATOM 0 HE2 MET A 70 20.923 -2.819 22.834 1.00 0.00 H new ATOM 0 HE3 MET A 70 22.568 -2.877 22.157 1.00 0.00 H new ATOM 1060 N SER A 71 22.088 -0.188 16.967 1.00 0.00 N ATOM 1061 CA SER A 71 22.796 -0.184 15.696 1.00 0.00 C ATOM 1062 C SER A 71 21.758 0.019 14.591 1.00 0.00 C ATOM 1063 O SER A 71 20.563 -0.185 14.829 1.00 0.00 O ATOM 1064 CB SER A 71 23.537 -1.518 15.499 1.00 0.00 C ATOM 1065 OG SER A 71 24.438 -1.794 16.563 1.00 0.00 O ATOM 0 H SER A 71 21.192 -0.670 16.903 1.00 0.00 H new ATOM 0 HA SER A 71 23.537 0.615 15.671 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.811 -2.327 15.421 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.086 -1.491 14.558 1.00 0.00 H new ATOM 0 HG SER A 71 24.886 -2.650 16.399 1.00 0.00 H new ATOM 1071 N ILE A 72 22.195 0.382 13.384 1.00 0.00 N ATOM 1072 CA ILE A 72 21.348 0.509 12.197 1.00 0.00 C ATOM 1073 C ILE A 72 22.147 0.023 10.966 1.00 0.00 C ATOM 1074 O ILE A 72 23.381 0.075 11.011 1.00 0.00 O ATOM 1075 CB ILE A 72 20.823 1.958 12.030 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.950 3.013 11.952 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.813 2.313 13.140 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.443 4.401 11.548 1.00 0.00 C ATOM 0 H ILE A 72 23.174 0.602 13.200 1.00 0.00 H new ATOM 0 HA ILE A 72 20.462 -0.116 12.306 1.00 0.00 H new ATOM 0 HB ILE A 72 20.312 1.985 11.068 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.445 3.081 12.921 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.700 2.683 11.234 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.461 3.335 12.998 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.966 1.628 13.094 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.297 2.227 14.113 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.281 5.098 11.511 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.973 4.345 10.566 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.714 4.749 12.280 1.00 0.00 H new ATOM 1090 N PRO A 73 21.506 -0.438 9.872 1.00 0.00 N ATOM 1091 CA PRO A 73 20.067 -0.627 9.724 1.00 0.00 C ATOM 1092 C PRO A 73 19.586 -1.757 10.636 1.00 0.00 C ATOM 1093 O PRO A 73 20.226 -2.810 10.719 1.00 0.00 O ATOM 1094 CB PRO A 73 19.840 -0.976 8.248 1.00 0.00 C ATOM 1095 CG PRO A 73 21.154 -1.628 7.824 1.00 0.00 C ATOM 1096 CD PRO A 73 22.194 -0.898 8.673 1.00 0.00 C ATOM 0 HA PRO A 73 19.508 0.265 10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.997 -1.655 8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.624 -0.087 7.655 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.154 -2.700 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.342 -1.500 6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.019 -1.562 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.621 -0.058 8.125 1.00 0.00 H new ATOM 1104 N THR A 74 18.446 -1.544 11.287 1.00 0.00 N ATOM 1105 CA THR A 74 17.816 -2.560 12.117 1.00 0.00 C ATOM 1106 C THR A 74 16.359 -2.642 11.689 1.00 0.00 C ATOM 1107 O THR A 74 15.700 -1.625 11.465 1.00 0.00 O ATOM 1108 CB THR A 74 18.032 -2.242 13.603 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.406 -2.381 13.897 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.266 -3.196 14.524 1.00 0.00 C ATOM 0 H THR A 74 17.935 -0.662 11.253 1.00 0.00 H new ATOM 0 HA THR A 74 18.261 -3.546 11.982 1.00 0.00 H new ATOM 0 HB THR A 74 17.670 -1.229 13.776 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.697 -1.634 14.460 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.453 -2.927 15.564 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.198 -3.123 14.317 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.600 -4.218 14.348 1.00 0.00 H new ATOM 1118 N LEU A 75 15.876 -3.867 11.516 1.00 0.00 N ATOM 1119 CA LEU A 75 14.600 -4.161 10.903 1.00 0.00 C ATOM 1120 C LEU A 75 13.733 -4.775 11.986 1.00 0.00 C ATOM 1121 O LEU A 75 14.132 -5.746 12.628 1.00 0.00 O ATOM 1122 CB LEU A 75 14.781 -5.116 9.711 1.00 0.00 C ATOM 1123 CG LEU A 75 15.123 -4.423 8.375 1.00 0.00 C ATOM 1124 CD1 LEU A 75 16.402 -3.579 8.397 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.260 -5.492 7.286 1.00 0.00 C ATOM 0 H LEU A 75 16.382 -4.703 11.809 1.00 0.00 H new ATOM 0 HA LEU A 75 14.131 -3.261 10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.573 -5.826 9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.864 -5.692 9.582 1.00 0.00 H new ATOM 0 HG LEU A 75 14.306 -3.729 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.560 -3.132 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.305 -2.791 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.252 -4.213 8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.502 -5.015 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.055 -6.187 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.320 -6.036 7.190 1.00 0.00 H new ATOM 1137 N LEU A 76 12.547 -4.216 12.191 1.00 0.00 N ATOM 1138 CA LEU A 76 11.556 -4.741 13.126 1.00 0.00 C ATOM 1139 C LEU A 76 10.395 -5.169 12.251 1.00 0.00 C ATOM 1140 O LEU A 76 10.143 -4.557 11.215 1.00 0.00 O ATOM 1141 CB LEU A 76 11.127 -3.664 14.149 1.00 0.00 C ATOM 1142 CG LEU A 76 12.057 -3.409 15.356 1.00 0.00 C ATOM 1143 CD1 LEU A 76 12.011 -4.582 16.335 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.512 -3.141 14.972 1.00 0.00 C ATOM 0 H LEU A 76 12.241 -3.373 11.706 1.00 0.00 H new ATOM 0 HA LEU A 76 11.946 -5.568 13.720 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.006 -2.722 13.614 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.145 -3.940 14.534 1.00 0.00 H new ATOM 0 HG LEU A 76 11.674 -2.503 15.825 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.674 -4.380 17.177 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.992 -4.713 16.699 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.335 -5.491 15.829 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.101 -2.972 15.873 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.911 -4.001 14.434 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.563 -2.259 14.334 1.00 0.00 H new ATOM 1156 N VAL A 77 9.678 -6.209 12.647 1.00 0.00 N ATOM 1157 CA VAL A 77 8.576 -6.738 11.867 1.00 0.00 C ATOM 1158 C VAL A 77 7.410 -6.770 12.824 1.00 0.00 C ATOM 1159 O VAL A 77 7.538 -7.264 13.950 1.00 0.00 O ATOM 1160 CB VAL A 77 8.905 -8.125 11.291 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.937 -8.475 10.152 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.345 -8.238 10.767 1.00 0.00 C ATOM 0 H VAL A 77 9.846 -6.709 13.520 1.00 0.00 H new ATOM 0 HA VAL A 77 8.355 -6.126 10.993 1.00 0.00 H new ATOM 0 HB VAL A 77 8.797 -8.826 12.118 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.183 -9.460 9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.915 -8.482 10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.024 -7.732 9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.512 -9.241 10.375 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.502 -7.507 9.974 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.044 -8.046 11.581 1.00 0.00 H new ATOM 1172 N LEU A 78 6.291 -6.198 12.400 1.00 0.00 N ATOM 1173 CA LEU A 78 5.124 -5.992 13.226 1.00 0.00 C ATOM 1174 C LEU A 78 3.933 -6.523 12.448 1.00 0.00 C ATOM 1175 O LEU A 78 3.915 -6.476 11.216 1.00 0.00 O ATOM 1176 CB LEU A 78 4.965 -4.504 13.602 1.00 0.00 C ATOM 1177 CG LEU A 78 6.174 -3.933 14.385 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.174 -3.192 13.486 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.730 -3.008 15.521 1.00 0.00 C ATOM 0 H LEU A 78 6.174 -5.858 11.446 1.00 0.00 H new ATOM 0 HA LEU A 78 5.214 -6.524 14.173 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.823 -3.921 12.692 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.063 -4.383 14.202 1.00 0.00 H new ATOM 0 HG LEU A 78 6.680 -4.801 14.807 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.998 -2.815 14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.562 -3.877 12.732 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.673 -2.357 12.996 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.607 -2.629 16.045 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.164 -2.172 15.110 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.103 -3.563 16.218 1.00 0.00 H new ATOM 1191 N LYS A 79 2.941 -7.043 13.160 1.00 0.00 N ATOM 1192 CA LYS A 79 1.736 -7.601 12.564 1.00 0.00 C ATOM 1193 C LYS A 79 0.562 -7.048 13.343 1.00 0.00 C ATOM 1194 O LYS A 79 0.450 -7.283 14.544 1.00 0.00 O ATOM 1195 CB LYS A 79 1.812 -9.140 12.568 1.00 0.00 C ATOM 1196 CG LYS A 79 0.522 -9.877 12.159 1.00 0.00 C ATOM 1197 CD LYS A 79 -0.042 -9.469 10.788 1.00 0.00 C ATOM 1198 CE LYS A 79 -1.273 -10.290 10.368 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.982 -11.733 10.172 1.00 0.00 N ATOM 0 H LYS A 79 2.952 -7.089 14.179 1.00 0.00 H new ATOM 0 HA LYS A 79 1.621 -7.319 11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.612 -9.447 11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.094 -9.468 13.568 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.719 -10.949 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.239 -9.698 12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.310 -8.413 10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.737 -9.583 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.048 -10.183 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.675 -9.879 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.767 -12.178 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.103 -11.839 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.872 -12.194 11.098 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.296 -6.307 12.642 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.562 -5.771 13.143 1.00 0.00 C ATOM 1215 C ASP A 80 -1.397 -5.012 14.473 1.00 0.00 C ATOM 1216 O ASP A 80 -2.270 -5.040 15.342 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.619 -6.890 13.180 1.00 0.00 C ATOM 1218 CG ASP A 80 -4.035 -6.364 13.481 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.471 -5.378 12.845 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.749 -6.978 14.308 1.00 0.00 O ATOM 0 H ASP A 80 -0.121 -6.053 11.670 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.924 -5.010 12.452 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.625 -7.409 12.222 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.340 -7.622 13.937 1.00 0.00 H new ATOM 1225 N GLY A 81 -0.252 -4.341 14.643 1.00 0.00 N ATOM 1226 CA GLY A 81 -0.018 -3.391 15.723 1.00 0.00 C ATOM 1227 C GLY A 81 0.989 -3.850 16.775 1.00 0.00 C ATOM 1228 O GLY A 81 1.288 -3.062 17.674 1.00 0.00 O ATOM 0 H GLY A 81 0.548 -4.449 14.020 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.330 -2.452 15.293 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.967 -3.183 16.216 1.00 0.00 H new ATOM 1232 N GLU A 82 1.528 -5.074 16.698 1.00 0.00 N ATOM 1233 CA GLU A 82 2.462 -5.590 17.692 1.00 0.00 C ATOM 1234 C GLU A 82 3.698 -6.166 17.004 1.00 0.00 C ATOM 1235 O GLU A 82 3.601 -6.719 15.907 1.00 0.00 O ATOM 1236 CB GLU A 82 1.739 -6.601 18.596 1.00 0.00 C ATOM 1237 CG GLU A 82 1.461 -7.978 17.972 1.00 0.00 C ATOM 1238 CD GLU A 82 0.692 -8.886 18.948 1.00 0.00 C ATOM 1239 OE1 GLU A 82 -0.561 -8.885 18.937 1.00 0.00 O ATOM 1240 OE2 GLU A 82 1.329 -9.626 19.732 1.00 0.00 O ATOM 0 H GLU A 82 1.325 -5.729 15.943 1.00 0.00 H new ATOM 0 HA GLU A 82 2.818 -4.785 18.335 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.335 -6.745 19.497 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.789 -6.166 18.908 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.885 -7.855 17.055 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.403 -8.452 17.696 1.00 0.00 H new ATOM 1247 N VAL A 83 4.864 -6.012 17.630 1.00 0.00 N ATOM 1248 CA VAL A 83 6.112 -6.574 17.135 1.00 0.00 C ATOM 1249 C VAL A 83 6.025 -8.096 17.184 1.00 0.00 C ATOM 1250 O VAL A 83 5.601 -8.688 18.181 1.00 0.00 O ATOM 1251 CB VAL A 83 7.309 -5.953 17.888 1.00 0.00 C ATOM 1252 CG1 VAL A 83 7.359 -6.287 19.387 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.636 -6.320 17.217 1.00 0.00 C ATOM 0 H VAL A 83 4.966 -5.490 18.500 1.00 0.00 H new ATOM 0 HA VAL A 83 6.282 -6.319 16.089 1.00 0.00 H new ATOM 0 HB VAL A 83 7.154 -4.876 17.825 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.230 -5.811 19.837 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.454 -5.920 19.872 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.428 -7.367 19.517 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.460 -5.869 17.769 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.753 -7.404 17.211 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.640 -5.949 16.192 1.00 0.00 H new ATOM 1263 N VAL A 84 6.432 -8.713 16.079 1.00 0.00 N ATOM 1264 CA VAL A 84 6.429 -10.148 15.891 1.00 0.00 C ATOM 1265 C VAL A 84 7.819 -10.658 15.465 1.00 0.00 C ATOM 1266 O VAL A 84 8.085 -11.840 15.682 1.00 0.00 O ATOM 1267 CB VAL A 84 5.257 -10.503 14.946 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.479 -10.012 13.507 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.917 -11.997 14.980 1.00 0.00 C ATOM 0 H VAL A 84 6.783 -8.205 15.267 1.00 0.00 H new ATOM 0 HA VAL A 84 6.248 -10.680 16.825 1.00 0.00 H new ATOM 0 HB VAL A 84 4.393 -9.962 15.331 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.624 -10.291 12.891 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.589 -8.928 13.506 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.382 -10.469 13.102 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.088 -12.197 14.301 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.788 -12.575 14.671 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.633 -12.283 15.993 1.00 0.00 H new ATOM 1279 N GLU A 85 8.739 -9.821 14.946 1.00 0.00 N ATOM 1280 CA GLU A 85 10.089 -10.291 14.586 1.00 0.00 C ATOM 1281 C GLU A 85 11.102 -9.140 14.578 1.00 0.00 C ATOM 1282 O GLU A 85 10.731 -7.967 14.677 1.00 0.00 O ATOM 1283 CB GLU A 85 10.059 -11.015 13.217 1.00 0.00 C ATOM 1284 CG GLU A 85 10.357 -12.522 13.270 1.00 0.00 C ATOM 1285 CD GLU A 85 11.838 -12.858 13.501 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.434 -12.358 14.480 1.00 0.00 O ATOM 1287 OE2 GLU A 85 12.389 -13.667 12.717 1.00 0.00 O ATOM 0 H GLU A 85 8.575 -8.830 14.769 1.00 0.00 H new ATOM 0 HA GLU A 85 10.413 -11.001 15.347 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.076 -10.870 12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.784 -10.540 12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.764 -12.971 14.067 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.033 -12.979 12.335 1.00 0.00 H new ATOM 1294 N THR A 86 12.394 -9.463 14.470 1.00 0.00 N ATOM 1295 CA THR A 86 13.503 -8.513 14.407 1.00 0.00 C ATOM 1296 C THR A 86 14.612 -9.099 13.513 1.00 0.00 C ATOM 1297 O THR A 86 14.752 -10.319 13.398 1.00 0.00 O ATOM 1298 CB THR A 86 14.016 -8.247 15.835 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.941 -7.963 16.715 1.00 0.00 O ATOM 1300 CG2 THR A 86 15.016 -7.086 15.926 1.00 0.00 C ATOM 0 H THR A 86 12.706 -10.433 14.422 1.00 0.00 H new ATOM 0 HA THR A 86 13.178 -7.566 13.977 1.00 0.00 H new ATOM 0 HB THR A 86 14.530 -9.164 16.124 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.290 -7.799 17.616 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.332 -6.959 16.961 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.885 -7.305 15.305 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.542 -6.169 15.576 1.00 0.00 H new ATOM 1308 N SER A 87 15.406 -8.247 12.863 1.00 0.00 N ATOM 1309 CA SER A 87 16.606 -8.593 12.107 1.00 0.00 C ATOM 1310 C SER A 87 17.555 -7.384 12.127 1.00 0.00 C ATOM 1311 O SER A 87 17.113 -6.256 12.347 1.00 0.00 O ATOM 1312 CB SER A 87 16.197 -8.976 10.678 1.00 0.00 C ATOM 1313 OG SER A 87 15.461 -10.185 10.683 1.00 0.00 O ATOM 0 H SER A 87 15.218 -7.245 12.850 1.00 0.00 H new ATOM 0 HA SER A 87 17.124 -9.445 12.547 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.597 -8.179 10.239 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.085 -9.086 10.056 1.00 0.00 H new ATOM 0 HG SER A 87 15.264 -10.444 11.607 1.00 0.00 H new ATOM 1319 N VAL A 88 18.858 -7.588 11.917 1.00 0.00 N ATOM 1320 CA VAL A 88 19.864 -6.523 11.988 1.00 0.00 C ATOM 1321 C VAL A 88 20.782 -6.653 10.769 1.00 0.00 C ATOM 1322 O VAL A 88 21.103 -7.773 10.357 1.00 0.00 O ATOM 1323 CB VAL A 88 20.629 -6.613 13.332 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.587 -5.426 13.522 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.691 -6.665 14.556 1.00 0.00 C ATOM 0 H VAL A 88 19.248 -8.503 11.691 1.00 0.00 H new ATOM 0 HA VAL A 88 19.402 -5.536 11.962 1.00 0.00 H new ATOM 0 HB VAL A 88 21.190 -7.546 13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.105 -5.525 14.476 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.317 -5.414 12.712 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.020 -4.495 13.512 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.285 -6.727 15.468 1.00 0.00 H new ATOM 0 HG22 VAL A 88 19.078 -5.764 14.583 1.00 0.00 H new ATOM 0 HG23 VAL A 88 19.046 -7.540 14.483 1.00 0.00 H new ATOM 1335 N GLY A 89 21.215 -5.526 10.199 1.00 0.00 N ATOM 1336 CA GLY A 89 22.135 -5.496 9.068 1.00 0.00 C ATOM 1337 C GLY A 89 21.422 -5.697 7.730 1.00 0.00 C ATOM 1338 O GLY A 89 20.194 -5.787 7.665 1.00 0.00 O ATOM 0 H GLY A 89 20.931 -4.599 10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.661 -4.541 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.888 -6.273 9.195 1.00 0.00 H new ATOM 1342 N PHE A 90 22.209 -5.748 6.651 1.00 0.00 N ATOM 1343 CA PHE A 90 21.728 -5.969 5.287 1.00 0.00 C ATOM 1344 C PHE A 90 21.074 -7.352 5.153 1.00 0.00 C ATOM 1345 O PHE A 90 21.481 -8.297 5.836 1.00 0.00 O ATOM 1346 CB PHE A 90 22.920 -5.837 4.321 1.00 0.00 C ATOM 1347 CG PHE A 90 22.581 -6.053 2.856 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.185 -4.967 2.053 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.649 -7.345 2.295 1.00 0.00 C ATOM 1350 CE1 PHE A 90 21.844 -5.173 0.705 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.297 -7.553 0.949 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.893 -6.467 0.154 1.00 0.00 C ATOM 0 H PHE A 90 23.221 -5.634 6.705 1.00 0.00 H new ATOM 0 HA PHE A 90 20.969 -5.225 5.043 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.354 -4.844 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.686 -6.556 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 90 22.143 -3.973 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.973 -8.178 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 90 21.544 -4.337 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 90 22.337 -8.546 0.527 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.620 -6.625 -0.879 1.00 0.00 H new ATOM 1362 N LYS A 91 20.096 -7.492 4.249 1.00 0.00 N ATOM 1363 CA LYS A 91 19.529 -8.769 3.803 1.00 0.00 C ATOM 1364 C LYS A 91 19.134 -8.606 2.333 1.00 0.00 C ATOM 1365 O LYS A 91 18.689 -7.517 1.961 1.00 0.00 O ATOM 1366 CB LYS A 91 18.267 -9.180 4.593 1.00 0.00 C ATOM 1367 CG LYS A 91 18.556 -9.845 5.946 1.00 0.00 C ATOM 1368 CD LYS A 91 18.513 -8.832 7.099 1.00 0.00 C ATOM 1369 CE LYS A 91 19.194 -9.333 8.380 1.00 0.00 C ATOM 1370 NZ LYS A 91 20.650 -9.568 8.219 1.00 0.00 N ATOM 0 H LYS A 91 19.663 -6.689 3.792 1.00 0.00 H new ATOM 0 HA LYS A 91 20.279 -9.544 3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.653 -8.295 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.678 -9.865 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.825 -10.633 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.537 -10.320 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.995 -7.908 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.474 -8.590 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.037 -8.604 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.717 -10.260 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.847 -10.587 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.958 -9.215 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.168 -9.067 8.969 1.00 0.00 H new ATOM 1384 N PRO A 92 19.246 -9.662 1.509 1.00 0.00 N ATOM 1385 CA PRO A 92 18.710 -9.657 0.157 1.00 0.00 C ATOM 1386 C PRO A 92 17.180 -9.713 0.194 1.00 0.00 C ATOM 1387 O PRO A 92 16.580 -10.210 1.152 1.00 0.00 O ATOM 1388 CB PRO A 92 19.311 -10.894 -0.517 1.00 0.00 C ATOM 1389 CG PRO A 92 19.504 -11.870 0.644 1.00 0.00 C ATOM 1390 CD PRO A 92 19.844 -10.954 1.818 1.00 0.00 C ATOM 0 HA PRO A 92 18.965 -8.751 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.645 -11.301 -1.278 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.255 -10.664 -1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.602 -12.452 0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.305 -12.581 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.448 -11.354 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.923 -10.864 1.942 1.00 0.00 H new ATOM 1398 N LYS A 93 16.536 -9.263 -0.886 1.00 0.00 N ATOM 1399 CA LYS A 93 15.075 -9.215 -0.998 1.00 0.00 C ATOM 1400 C LYS A 93 14.416 -10.576 -0.829 1.00 0.00 C ATOM 1401 O LYS A 93 13.280 -10.636 -0.367 1.00 0.00 O ATOM 1402 CB LYS A 93 14.640 -8.562 -2.318 1.00 0.00 C ATOM 1403 CG LYS A 93 15.223 -9.222 -3.578 1.00 0.00 C ATOM 1404 CD LYS A 93 14.979 -8.335 -4.800 1.00 0.00 C ATOM 1405 CE LYS A 93 15.516 -9.040 -6.055 1.00 0.00 C ATOM 1406 NZ LYS A 93 15.161 -8.322 -7.302 1.00 0.00 N ATOM 0 H LYS A 93 17.019 -8.918 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 93 14.730 -8.596 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.552 -8.587 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.934 -7.512 -2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.292 -9.389 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.764 -10.199 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.914 -8.133 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.474 -7.373 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.600 -9.126 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.118 -10.054 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.822 -8.592 -8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.192 -8.573 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.220 -7.296 -7.141 1.00 0.00 H new ATOM 1420 N GLU A 94 15.089 -11.658 -1.207 1.00 0.00 N ATOM 1421 CA GLU A 94 14.558 -13.005 -1.047 1.00 0.00 C ATOM 1422 C GLU A 94 14.457 -13.354 0.443 1.00 0.00 C ATOM 1423 O GLU A 94 13.415 -13.827 0.892 1.00 0.00 O ATOM 1424 CB GLU A 94 15.429 -14.016 -1.810 1.00 0.00 C ATOM 1425 CG GLU A 94 15.478 -13.761 -3.327 1.00 0.00 C ATOM 1426 CD GLU A 94 14.095 -13.850 -3.998 1.00 0.00 C ATOM 1427 OE1 GLU A 94 13.622 -14.977 -4.274 1.00 0.00 O ATOM 1428 OE2 GLU A 94 13.479 -12.794 -4.265 1.00 0.00 O ATOM 0 H GLU A 94 16.016 -11.625 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 94 13.555 -13.051 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.443 -13.984 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.047 -15.021 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.901 -12.773 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.148 -14.486 -3.790 1.00 0.00 H new ATOM 1435 N ALA A 95 15.495 -13.056 1.233 1.00 0.00 N ATOM 1436 CA ALA A 95 15.467 -13.275 2.674 1.00 0.00 C ATOM 1437 C ALA A 95 14.410 -12.387 3.332 1.00 0.00 C ATOM 1438 O ALA A 95 13.713 -12.822 4.249 1.00 0.00 O ATOM 1439 CB ALA A 95 16.850 -13.013 3.280 1.00 0.00 C ATOM 0 H ALA A 95 16.370 -12.659 0.890 1.00 0.00 H new ATOM 0 HA ALA A 95 15.201 -14.315 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.813 -13.181 4.356 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.578 -13.690 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.144 -11.982 3.083 1.00 0.00 H new ATOM 1445 N LEU A 96 14.264 -11.150 2.850 1.00 0.00 N ATOM 1446 CA LEU A 96 13.243 -10.236 3.343 1.00 0.00 C ATOM 1447 C LEU A 96 11.840 -10.758 3.045 1.00 0.00 C ATOM 1448 O LEU A 96 10.986 -10.717 3.924 1.00 0.00 O ATOM 1449 CB LEU A 96 13.420 -8.838 2.748 1.00 0.00 C ATOM 1450 CG LEU A 96 14.699 -8.095 3.186 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.823 -6.761 2.441 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.720 -7.832 4.695 1.00 0.00 C ATOM 0 H LEU A 96 14.849 -10.760 2.111 1.00 0.00 H new ATOM 0 HA LEU A 96 13.363 -10.171 4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.421 -8.921 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.556 -8.232 3.021 1.00 0.00 H new ATOM 0 HG LEU A 96 15.543 -8.739 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.730 -6.249 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.870 -6.947 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.957 -6.138 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.638 -7.307 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.860 -7.221 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.677 -8.781 5.230 1.00 0.00 H new ATOM 1464 N GLN A 97 11.598 -11.288 1.846 1.00 0.00 N ATOM 1465 CA GLN A 97 10.324 -11.918 1.521 1.00 0.00 C ATOM 1466 C GLN A 97 10.048 -13.061 2.487 1.00 0.00 C ATOM 1467 O GLN A 97 8.923 -13.193 2.957 1.00 0.00 O ATOM 1468 CB GLN A 97 10.314 -12.465 0.082 1.00 0.00 C ATOM 1469 CG GLN A 97 9.909 -11.434 -0.976 1.00 0.00 C ATOM 1470 CD GLN A 97 10.455 -11.828 -2.346 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.809 -12.524 -3.126 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.676 -11.418 -2.631 1.00 0.00 N ATOM 0 H GLN A 97 12.273 -11.292 1.082 1.00 0.00 H new ATOM 0 HA GLN A 97 9.549 -11.156 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.307 -12.845 -0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.628 -13.311 0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.823 -11.357 -1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.287 -10.451 -0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.189 -10.841 -1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.107 -11.678 -3.518 1.00 0.00 H new ATOM 1481 N GLU A 98 11.057 -13.869 2.808 1.00 0.00 N ATOM 1482 CA GLU A 98 10.878 -14.996 3.716 1.00 0.00 C ATOM 1483 C GLU A 98 10.521 -14.504 5.120 1.00 0.00 C ATOM 1484 O GLU A 98 9.635 -15.065 5.762 1.00 0.00 O ATOM 1485 CB GLU A 98 12.113 -15.911 3.736 1.00 0.00 C ATOM 1486 CG GLU A 98 12.219 -16.765 2.466 1.00 0.00 C ATOM 1487 CD GLU A 98 13.406 -17.744 2.541 1.00 0.00 C ATOM 1488 OE1 GLU A 98 14.551 -17.361 2.211 1.00 0.00 O ATOM 1489 OE2 GLU A 98 13.201 -18.921 2.917 1.00 0.00 O ATOM 0 H GLU A 98 12.007 -13.762 2.452 1.00 0.00 H new ATOM 0 HA GLU A 98 10.046 -15.595 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.012 -15.304 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.066 -16.563 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.294 -17.324 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.336 -16.116 1.598 1.00 0.00 H new ATOM 1496 N LEU A 99 11.154 -13.423 5.579 1.00 0.00 N ATOM 1497 CA LEU A 99 10.878 -12.791 6.854 1.00 0.00 C ATOM 1498 C LEU A 99 9.435 -12.274 6.902 1.00 0.00 C ATOM 1499 O LEU A 99 8.742 -12.500 7.891 1.00 0.00 O ATOM 1500 CB LEU A 99 11.921 -11.677 7.037 1.00 0.00 C ATOM 1501 CG LEU A 99 11.743 -10.850 8.311 1.00 0.00 C ATOM 1502 CD1 LEU A 99 11.910 -11.712 9.566 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.765 -9.708 8.299 1.00 0.00 C ATOM 0 H LEU A 99 11.893 -12.956 5.053 1.00 0.00 H new ATOM 0 HA LEU A 99 10.959 -13.499 7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.915 -12.124 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.878 -11.010 6.176 1.00 0.00 H new ATOM 0 HG LEU A 99 10.732 -10.444 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.777 -11.093 10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.164 -12.507 9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.908 -12.151 9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.651 -9.108 9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.773 -10.122 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.599 -9.081 7.423 1.00 0.00 H new ATOM 1515 N VAL A 100 8.952 -11.633 5.833 1.00 0.00 N ATOM 1516 CA VAL A 100 7.562 -11.200 5.710 1.00 0.00 C ATOM 1517 C VAL A 100 6.634 -12.423 5.731 1.00 0.00 C ATOM 1518 O VAL A 100 5.606 -12.425 6.412 1.00 0.00 O ATOM 1519 CB VAL A 100 7.401 -10.375 4.411 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.944 -9.965 4.142 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.259 -9.099 4.409 1.00 0.00 C ATOM 0 H VAL A 100 9.524 -11.399 5.021 1.00 0.00 H new ATOM 0 HA VAL A 100 7.286 -10.565 6.552 1.00 0.00 H new ATOM 0 HB VAL A 100 7.741 -11.045 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.893 -9.389 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.326 -10.858 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.578 -9.357 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.107 -8.560 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.969 -8.464 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.311 -9.368 4.505 1.00 0.00 H new ATOM 1531 N ASN A 101 7.009 -13.480 5.006 1.00 0.00 N ATOM 1532 CA ASN A 101 6.196 -14.671 4.775 1.00 0.00 C ATOM 1533 C ASN A 101 5.838 -15.384 6.080 1.00 0.00 C ATOM 1534 O ASN A 101 4.767 -15.981 6.170 1.00 0.00 O ATOM 1535 CB ASN A 101 6.918 -15.623 3.809 1.00 0.00 C ATOM 1536 CG ASN A 101 6.000 -16.721 3.293 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.822 -17.761 3.920 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.421 -16.518 2.120 1.00 0.00 N ATOM 0 H ASN A 101 7.919 -13.529 4.549 1.00 0.00 H new ATOM 0 HA ASN A 101 5.258 -14.351 4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.311 -15.054 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.772 -16.073 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.813 -17.233 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.583 -15.646 1.616 1.00 0.00 H new ATOM 1545 N LYS A 102 6.679 -15.255 7.116 1.00 0.00 N ATOM 1546 CA LYS A 102 6.403 -15.785 8.454 1.00 0.00 C ATOM 1547 C LYS A 102 5.080 -15.267 9.034 1.00 0.00 C ATOM 1548 O LYS A 102 4.517 -15.934 9.905 1.00 0.00 O ATOM 1549 CB LYS A 102 7.523 -15.405 9.440 1.00 0.00 C ATOM 1550 CG LYS A 102 8.926 -15.937 9.118 1.00 0.00 C ATOM 1551 CD LYS A 102 9.883 -15.616 10.278 1.00 0.00 C ATOM 1552 CE LYS A 102 11.324 -16.022 9.936 1.00 0.00 C ATOM 1553 NZ LYS A 102 12.230 -15.925 11.108 1.00 0.00 N ATOM 0 H LYS A 102 7.577 -14.776 7.046 1.00 0.00 H new ATOM 0 HA LYS A 102 6.342 -16.867 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.575 -14.318 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.241 -15.762 10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.888 -17.014 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.293 -15.486 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.846 -14.549 10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.558 -16.140 11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.331 -17.044 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.699 -15.384 9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.215 -16.043 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.118 -14.994 11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.992 -16.671 11.793 1.00 0.00 H new ATOM 1567 N HIS A 103 4.585 -14.108 8.584 1.00 0.00 N ATOM 1568 CA HIS A 103 3.479 -13.397 9.228 1.00 0.00 C ATOM 1569 C HIS A 103 2.315 -13.089 8.281 1.00 0.00 C ATOM 1570 O HIS A 103 1.304 -12.542 8.734 1.00 0.00 O ATOM 1571 CB HIS A 103 4.024 -12.105 9.857 1.00 0.00 C ATOM 1572 CG HIS A 103 5.291 -12.309 10.649 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.453 -13.114 11.755 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.525 -11.818 10.323 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.754 -13.095 12.092 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.448 -12.311 11.249 1.00 0.00 N ATOM 0 H HIS A 103 4.945 -13.635 7.755 1.00 0.00 H new ATOM 0 HA HIS A 103 3.066 -14.053 9.994 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.212 -11.377 9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.262 -11.678 10.509 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.716 -13.633 12.233 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.748 -11.163 9.494 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.182 -13.634 12.924 1.00 0.00 H new ATOM 1584 N LEU A 104 2.432 -13.416 6.988 1.00 0.00 N ATOM 1585 CA LEU A 104 1.326 -13.308 6.041 1.00 0.00 C ATOM 1586 C LEU A 104 0.164 -14.166 6.528 1.00 0.00 C ATOM 1587 O LEU A 104 0.392 -15.335 6.906 1.00 0.00 O ATOM 1588 CB LEU A 104 1.746 -13.736 4.624 1.00 0.00 C ATOM 1589 CG LEU A 104 2.737 -12.794 3.919 1.00 0.00 C ATOM 1590 CD1 LEU A 104 3.105 -13.384 2.556 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.171 -11.383 3.716 1.00 0.00 C ATOM 1592 OXT LEU A 104 -0.984 -13.681 6.499 1.00 0.00 O ATOM 0 H LEU A 104 3.297 -13.762 6.574 1.00 0.00 H new ATOM 0 HA LEU A 104 1.020 -12.263 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.191 -14.729 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.851 -13.822 4.008 1.00 0.00 H new ATOM 0 HG LEU A 104 3.614 -12.705 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.807 -12.721 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.565 -14.362 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.205 -13.489 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.913 -10.762 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.270 -11.437 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.927 -10.946 4.684 1.00 0.00 H new