USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 753 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 173:sc= -1.02! USER MOD Set 1.2: A 95 ASN : amide:sc= 0.457 K(o=-0.56,f=-6.1!) USER MOD Set 2.1: A 21 CYS SG : rot 141:sc= 2.34 USER MOD Set 2.2: A 24 CYS SG : rot 84:sc= 1.39 USER MOD Set 2.3: A 29 SER OG : rot -170:sc= 0 USER MOD Set 2.4: A 45 CYS SG : rot 71:sc= -0.36 USER MOD Set 2.5: A 51 HIS : no HE2:sc= 0.935 K(o=3.7,f=-2.9!) USER MOD Set 2.6: A 53 HIS : no HE2:sc= -0.619 K(o=3.7,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.23 (180deg=0.826) USER MOD Single : A 2 THR OG1 : rot -52:sc= 0.439 USER MOD Single : A 3 MET CE :methyl 138:sc= -0.133 (180deg=-0.739) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.214 K(o=0.21,f=-6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.51 K(o=0.51,f=-4!) USER MOD Single : A 46 CYS SG : rot 180:sc= -0.235 USER MOD Single : A 49 SER OG : rot 46:sc= 1.47 USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 2.36 (180deg=2.09) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -67:sc= 1.15 USER MOD Single : A 79 TYR OH : rot -82:sc= -1.34! USER MOD Single : A 84 MET CE :methyl -161:sc= -0.0993 (180deg=-0.556) USER MOD Single : A 88 SER OG : rot 180:sc= 0.00615 USER MOD Single : A 91 MET CE :methyl -144:sc= -0.25 (180deg=-0.912) USER MOD Single : A 92 THR OG1 : rot 89:sc= 1.31 USER MOD Single : A 94 HIS : no HE2:sc= 0.564 K(o=0.56,f=-3.1!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.681 0.355 -2.026 1.00 0.00 N ATOM 2 CA MET A 1 4.778 -0.167 -0.975 1.00 0.00 C ATOM 3 C MET A 1 3.831 -1.208 -1.559 1.00 0.00 C ATOM 4 O MET A 1 3.588 -1.232 -2.767 1.00 0.00 O ATOM 5 CB MET A 1 3.969 0.974 -0.336 1.00 0.00 C ATOM 6 CG MET A 1 2.883 1.556 -1.235 1.00 0.00 C ATOM 7 SD MET A 1 3.530 2.280 -2.756 1.00 0.00 S ATOM 8 CE MET A 1 2.017 2.832 -3.541 1.00 0.00 C ATOM 0 H1 MET A 1 6.548 0.726 -1.586 1.00 0.00 H new ATOM 0 H2 MET A 1 5.927 -0.412 -2.684 1.00 0.00 H new ATOM 0 H3 MET A 1 5.203 1.118 -2.547 1.00 0.00 H new ATOM 0 HA MET A 1 5.390 -0.635 -0.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.507 0.607 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.653 1.773 -0.050 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.171 0.771 -1.489 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.333 2.318 -0.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.253 3.303 -4.495 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.362 1.977 -3.710 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.514 3.552 -2.896 1.00 0.00 H new ATOM 20 N THR A 2 3.308 -2.065 -0.697 1.00 0.00 N ATOM 21 CA THR A 2 2.379 -3.105 -1.109 1.00 0.00 C ATOM 22 C THR A 2 1.004 -2.870 -0.487 1.00 0.00 C ATOM 23 O THR A 2 0.780 -1.847 0.167 1.00 0.00 O ATOM 24 CB THR A 2 2.902 -4.500 -0.707 1.00 0.00 C ATOM 25 OG1 THR A 2 3.303 -4.496 0.671 1.00 0.00 O ATOM 26 CG2 THR A 2 4.077 -4.916 -1.580 1.00 0.00 C ATOM 0 H THR A 2 3.514 -2.060 0.302 1.00 0.00 H new ATOM 0 HA THR A 2 2.290 -3.065 -2.195 1.00 0.00 H new ATOM 0 HB THR A 2 2.094 -5.218 -0.850 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.918 -3.750 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.426 -5.903 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.762 -4.949 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.887 -4.195 -1.468 1.00 0.00 H new ATOM 34 N MET A 3 0.088 -3.804 -0.697 1.00 0.00 N ATOM 35 CA MET A 3 -1.251 -3.704 -0.130 1.00 0.00 C ATOM 36 C MET A 3 -1.264 -4.254 1.291 1.00 0.00 C ATOM 37 O MET A 3 -1.923 -3.710 2.178 1.00 0.00 O ATOM 38 CB MET A 3 -2.253 -4.472 -0.998 1.00 0.00 C ATOM 39 CG MET A 3 -3.694 -4.360 -0.522 1.00 0.00 C ATOM 40 SD MET A 3 -4.347 -2.683 -0.655 1.00 0.00 S ATOM 41 CE MET A 3 -4.277 -2.434 -2.428 1.00 0.00 C ATOM 0 H MET A 3 0.247 -4.642 -1.257 1.00 0.00 H new ATOM 0 HA MET A 3 -1.540 -2.653 -0.104 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.189 -4.103 -2.022 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.969 -5.524 -1.020 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.318 -5.035 -1.107 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.755 -4.688 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 3 -5.186 -1.934 -2.761 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.413 -1.818 -2.675 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.189 -3.399 -2.928 1.00 0.00 H new ATOM 51 N GLY A 4 -0.521 -5.332 1.500 1.00 0.00 N ATOM 52 CA GLY A 4 -0.461 -5.955 2.803 1.00 0.00 C ATOM 53 C GLY A 4 -0.227 -7.446 2.701 1.00 0.00 C ATOM 54 O GLY A 4 0.443 -7.909 1.780 1.00 0.00 O ATOM 0 H GLY A 4 0.044 -5.787 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.339 -5.500 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.392 -5.769 3.338 1.00 0.00 H new ATOM 58 N CYS A 5 -0.778 -8.195 3.643 1.00 0.00 N ATOM 59 CA CYS A 5 -0.645 -9.647 3.653 1.00 0.00 C ATOM 60 C CYS A 5 -1.639 -10.240 4.645 1.00 0.00 C ATOM 61 O CYS A 5 -2.291 -9.497 5.375 1.00 0.00 O ATOM 62 CB CYS A 5 0.784 -10.054 4.023 1.00 0.00 C ATOM 63 SG CYS A 5 1.260 -9.623 5.728 1.00 0.00 S ATOM 0 H CYS A 5 -1.326 -7.820 4.417 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.859 -10.031 2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.891 -11.130 3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.478 -9.576 3.331 1.00 0.00 H new ATOM 68 N ARG A 6 -1.738 -11.568 4.683 1.00 0.00 N ATOM 69 CA ARG A 6 -2.700 -12.259 5.548 1.00 0.00 C ATOM 70 C ARG A 6 -2.526 -11.871 7.019 1.00 0.00 C ATOM 71 O ARG A 6 -3.486 -11.864 7.787 1.00 0.00 O ATOM 72 CB ARG A 6 -2.569 -13.779 5.378 1.00 0.00 C ATOM 73 CG ARG A 6 -1.198 -14.329 5.744 1.00 0.00 C ATOM 74 CD ARG A 6 -1.069 -15.797 5.371 1.00 0.00 C ATOM 75 NE ARG A 6 0.232 -16.350 5.750 1.00 0.00 N ATOM 76 CZ ARG A 6 1.117 -16.838 4.881 1.00 0.00 C ATOM 77 NH1 ARG A 6 0.869 -16.807 3.578 1.00 0.00 N ATOM 78 NH2 ARG A 6 2.257 -17.352 5.315 1.00 0.00 N ATOM 0 H ARG A 6 -1.160 -12.193 4.121 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.700 -11.948 5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.322 -14.269 5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.788 -14.038 4.342 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.426 -13.754 5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.030 -14.208 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.860 -16.365 5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.212 -15.911 4.296 1.00 0.00 H new ATOM 0 HE ARG A 6 0.477 -16.363 6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.004 -16.408 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.552 -17.183 2.920 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.458 -17.375 6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.934 -17.725 4.650 1.00 0.00 H new ATOM 92 N HIS A 7 -1.298 -11.530 7.398 1.00 0.00 N ATOM 93 CA HIS A 7 -0.996 -11.114 8.767 1.00 0.00 C ATOM 94 C HIS A 7 -1.716 -9.817 9.130 1.00 0.00 C ATOM 95 O HIS A 7 -1.953 -9.540 10.305 1.00 0.00 O ATOM 96 CB HIS A 7 0.512 -10.934 8.960 1.00 0.00 C ATOM 97 CG HIS A 7 1.297 -12.199 8.824 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.233 -12.357 7.833 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.256 -13.321 9.579 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.739 -13.564 8.007 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.177 -14.186 9.054 1.00 0.00 N ATOM 0 H HIS A 7 -0.491 -11.533 6.774 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.351 -11.903 9.429 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.878 -10.211 8.231 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.694 -10.510 9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.619 -13.500 10.432 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.509 -13.996 7.385 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.394 -15.123 9.393 1.00 0.00 H new ATOM 109 N VAL A 8 -2.049 -9.021 8.116 1.00 0.00 N ATOM 110 CA VAL A 8 -2.681 -7.722 8.327 1.00 0.00 C ATOM 111 C VAL A 8 -4.042 -7.885 9.012 1.00 0.00 C ATOM 112 O VAL A 8 -4.490 -7.004 9.740 1.00 0.00 O ATOM 113 CB VAL A 8 -2.820 -6.933 6.995 1.00 0.00 C ATOM 114 CG1 VAL A 8 -4.245 -6.944 6.464 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.332 -5.506 7.166 1.00 0.00 C ATOM 0 H VAL A 8 -1.890 -9.255 7.136 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.034 -7.142 8.985 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.195 -7.438 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.291 -6.380 5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.557 -7.972 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.910 -6.488 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.437 -4.970 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.924 -5.009 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.284 -5.513 7.464 1.00 0.00 H new ATOM 125 N ALA A 9 -4.687 -9.029 8.789 1.00 0.00 N ATOM 126 CA ALA A 9 -5.992 -9.302 9.384 1.00 0.00 C ATOM 127 C ALA A 9 -5.884 -9.569 10.887 1.00 0.00 C ATOM 128 O ALA A 9 -6.888 -9.835 11.551 1.00 0.00 O ATOM 129 CB ALA A 9 -6.648 -10.484 8.686 1.00 0.00 C ATOM 0 H ALA A 9 -4.327 -9.780 8.201 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.611 -8.415 9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.621 -10.679 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.778 -10.255 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.016 -11.366 8.791 1.00 0.00 H new ATOM 135 N GLY A 10 -4.670 -9.500 11.422 1.00 0.00 N ATOM 136 CA GLY A 10 -4.469 -9.751 12.834 1.00 0.00 C ATOM 137 C GLY A 10 -3.896 -8.556 13.576 1.00 0.00 C ATOM 138 O GLY A 10 -3.523 -8.671 14.744 1.00 0.00 O ATOM 0 H GLY A 10 -3.822 -9.275 10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.421 -10.030 13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.798 -10.601 12.954 1.00 0.00 H new ATOM 142 N ILE A 11 -3.797 -7.415 12.905 1.00 0.00 N ATOM 143 CA ILE A 11 -3.296 -6.206 13.552 1.00 0.00 C ATOM 144 C ILE A 11 -4.438 -5.272 13.930 1.00 0.00 C ATOM 145 O ILE A 11 -5.445 -5.186 13.228 1.00 0.00 O ATOM 146 CB ILE A 11 -2.280 -5.442 12.677 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.905 -5.049 11.335 1.00 0.00 C ATOM 148 CG2 ILE A 11 -1.032 -6.286 12.471 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.982 -4.258 10.434 1.00 0.00 C ATOM 0 H ILE A 11 -4.053 -7.300 11.924 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.782 -6.538 14.454 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.996 -4.524 13.191 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.218 -5.953 10.813 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.804 -4.462 11.523 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.321 -5.739 11.852 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.578 -6.506 13.437 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.301 -7.219 11.975 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.498 -4.019 9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.688 -3.335 10.934 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.094 -4.850 10.214 1.00 0.00 H new ATOM 161 N ARG A 12 -4.270 -4.572 15.039 1.00 0.00 N ATOM 162 CA ARG A 12 -5.280 -3.639 15.516 1.00 0.00 C ATOM 163 C ARG A 12 -4.626 -2.315 15.887 1.00 0.00 C ATOM 164 O ARG A 12 -3.398 -2.203 15.873 1.00 0.00 O ATOM 165 CB ARG A 12 -6.015 -4.229 16.722 1.00 0.00 C ATOM 166 CG ARG A 12 -5.110 -4.499 17.915 1.00 0.00 C ATOM 167 CD ARG A 12 -5.829 -5.286 18.997 1.00 0.00 C ATOM 168 NE ARG A 12 -6.993 -4.577 19.529 1.00 0.00 N ATOM 169 CZ ARG A 12 -8.106 -5.186 19.931 1.00 0.00 C ATOM 170 NH1 ARG A 12 -8.251 -6.491 19.751 1.00 0.00 N ATOM 171 NH2 ARG A 12 -9.090 -4.487 20.483 1.00 0.00 N ATOM 0 H ARG A 12 -3.440 -4.632 15.629 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.006 -3.462 14.722 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.807 -3.544 17.025 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.496 -5.160 16.424 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.230 -5.052 17.587 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.757 -3.553 18.326 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.147 -6.247 18.592 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.134 -5.497 19.810 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.949 -3.560 19.595 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.509 -7.030 19.304 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.104 -6.957 20.060 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.995 -3.478 20.601 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.941 -4.959 20.789 1.00 0.00 H new ATOM 185 N THR A 13 -5.435 -1.312 16.194 1.00 0.00 N ATOM 186 CA THR A 13 -4.916 -0.030 16.640 1.00 0.00 C ATOM 187 C THR A 13 -4.556 -0.113 18.118 1.00 0.00 C ATOM 188 O THR A 13 -5.420 -0.040 18.992 1.00 0.00 O ATOM 189 CB THR A 13 -5.933 1.103 16.401 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.373 1.072 15.036 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.317 2.462 16.704 1.00 0.00 C ATOM 0 H THR A 13 -6.452 -1.362 16.142 1.00 0.00 H new ATOM 0 HA THR A 13 -4.023 0.200 16.059 1.00 0.00 H new ATOM 0 HB THR A 13 -6.781 0.951 17.069 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.021 1.791 14.885 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.056 3.244 16.527 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.998 2.493 17.746 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.455 2.624 16.056 1.00 0.00 H new ATOM 199 N VAL A 14 -3.276 -0.295 18.383 1.00 0.00 N ATOM 200 CA VAL A 14 -2.799 -0.576 19.726 1.00 0.00 C ATOM 201 C VAL A 14 -2.436 0.693 20.486 1.00 0.00 C ATOM 202 O VAL A 14 -2.158 1.733 19.890 1.00 0.00 O ATOM 203 CB VAL A 14 -1.580 -1.515 19.687 1.00 0.00 C ATOM 204 CG1 VAL A 14 -2.012 -2.931 19.342 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.552 -1.013 18.681 1.00 0.00 C ATOM 0 H VAL A 14 -2.540 -0.253 17.678 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.619 -1.063 20.253 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.120 -1.524 20.675 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.138 -3.582 19.318 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.713 -3.291 20.095 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.495 -2.936 18.365 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.303 -1.689 18.667 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.002 -0.976 17.689 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.221 -0.015 18.967 1.00 0.00 H new ATOM 215 N THR A 15 -2.449 0.589 21.806 1.00 0.00 N ATOM 216 CA THR A 15 -2.110 1.702 22.673 1.00 0.00 C ATOM 217 C THR A 15 -0.594 1.804 22.834 1.00 0.00 C ATOM 218 O THR A 15 0.057 0.834 23.222 1.00 0.00 O ATOM 219 CB THR A 15 -2.761 1.520 24.058 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.129 1.116 23.899 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.704 2.809 24.863 1.00 0.00 C ATOM 0 H THR A 15 -2.694 -0.267 22.303 1.00 0.00 H new ATOM 0 HA THR A 15 -2.486 2.618 22.218 1.00 0.00 H new ATOM 0 HB THR A 15 -2.207 0.752 24.597 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.540 0.999 24.781 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.170 2.652 25.836 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.664 3.105 25.003 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.236 3.596 24.328 1.00 0.00 H new ATOM 229 N PRO A 16 -0.014 2.970 22.511 1.00 0.00 N ATOM 230 CA PRO A 16 1.429 3.200 22.642 1.00 0.00 C ATOM 231 C PRO A 16 1.902 3.075 24.089 1.00 0.00 C ATOM 232 O PRO A 16 1.447 3.810 24.971 1.00 0.00 O ATOM 233 CB PRO A 16 1.619 4.637 22.141 1.00 0.00 C ATOM 234 CG PRO A 16 0.394 4.939 21.347 1.00 0.00 C ATOM 235 CD PRO A 16 -0.713 4.150 21.981 1.00 0.00 C ATOM 0 HA PRO A 16 2.008 2.465 22.083 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.731 5.333 22.973 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.517 4.725 21.529 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.172 6.006 21.363 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.526 4.656 20.303 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.210 4.714 22.771 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.479 3.874 21.256 1.00 0.00 H new ATOM 243 N SER A 17 2.802 2.130 24.330 1.00 0.00 N ATOM 244 CA SER A 17 3.347 1.911 25.661 1.00 0.00 C ATOM 245 C SER A 17 4.370 2.991 26.016 1.00 0.00 C ATOM 246 O SER A 17 4.556 3.326 27.188 1.00 0.00 O ATOM 247 CB SER A 17 3.985 0.521 25.746 1.00 0.00 C ATOM 248 OG SER A 17 4.459 0.248 27.055 1.00 0.00 O ATOM 0 H SER A 17 3.170 1.501 23.617 1.00 0.00 H new ATOM 0 HA SER A 17 2.531 1.969 26.381 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.254 -0.235 25.457 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.810 0.454 25.037 1.00 0.00 H new ATOM 0 HG SER A 17 4.859 -0.646 27.078 1.00 0.00 H new ATOM 254 N ALA A 18 5.022 3.537 25.001 1.00 0.00 N ATOM 255 CA ALA A 18 6.012 4.585 25.199 1.00 0.00 C ATOM 256 C ALA A 18 5.927 5.600 24.069 1.00 0.00 C ATOM 257 O ALA A 18 5.344 5.315 23.023 1.00 0.00 O ATOM 258 CB ALA A 18 7.412 3.986 25.276 1.00 0.00 C ATOM 0 H ALA A 18 4.882 3.270 24.027 1.00 0.00 H new ATOM 0 HA ALA A 18 5.805 5.092 26.141 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.141 4.783 25.424 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.463 3.287 26.111 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.634 3.459 24.348 1.00 0.00 H new ATOM 264 N LEU A 19 6.497 6.780 24.283 1.00 0.00 N ATOM 265 CA LEU A 19 6.521 7.814 23.255 1.00 0.00 C ATOM 266 C LEU A 19 7.510 7.427 22.166 1.00 0.00 C ATOM 267 O LEU A 19 7.289 7.672 20.984 1.00 0.00 O ATOM 268 CB LEU A 19 6.921 9.164 23.860 1.00 0.00 C ATOM 269 CG LEU A 19 6.022 9.671 24.990 1.00 0.00 C ATOM 270 CD1 LEU A 19 6.561 10.978 25.549 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.596 9.851 24.499 1.00 0.00 C ATOM 0 H LEU A 19 6.949 7.045 25.158 1.00 0.00 H new ATOM 0 HA LEU A 19 5.523 7.906 22.827 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.941 9.086 24.238 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.932 9.910 23.065 1.00 0.00 H new ATOM 0 HG LEU A 19 6.018 8.928 25.787 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.911 11.326 26.352 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.566 10.820 25.939 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.593 11.727 24.757 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.972 10.212 25.317 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.580 10.575 23.684 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.210 8.896 24.143 1.00 0.00 H new ATOM 283 N GLY A 20 8.603 6.816 22.589 1.00 0.00 N ATOM 284 CA GLY A 20 9.610 6.350 21.668 1.00 0.00 C ATOM 285 C GLY A 20 10.290 5.103 22.182 1.00 0.00 C ATOM 286 O GLY A 20 9.625 4.138 22.553 1.00 0.00 O ATOM 0 H GLY A 20 8.811 6.633 23.571 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.153 6.145 20.700 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.352 7.133 21.511 1.00 0.00 H new ATOM 290 N CYS A 21 11.612 5.113 22.217 1.00 0.00 N ATOM 291 CA CYS A 21 12.343 3.991 22.773 1.00 0.00 C ATOM 292 C CYS A 21 12.526 4.202 24.270 1.00 0.00 C ATOM 293 O CYS A 21 13.342 5.019 24.702 1.00 0.00 O ATOM 294 CB CYS A 21 13.694 3.812 22.083 1.00 0.00 C ATOM 295 SG CYS A 21 14.461 2.210 22.416 1.00 0.00 S ATOM 0 H CYS A 21 12.194 5.876 21.871 1.00 0.00 H new ATOM 0 HA CYS A 21 11.769 3.080 22.604 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.563 3.927 21.007 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.368 4.604 22.409 1.00 0.00 H new ATOM 0 HG CYS A 21 15.028 1.767 21.333 1.00 0.00 H new ATOM 301 N GLU A 22 11.750 3.459 25.044 1.00 0.00 N ATOM 302 CA GLU A 22 11.677 3.635 26.489 1.00 0.00 C ATOM 303 C GLU A 22 13.035 3.415 27.166 1.00 0.00 C ATOM 304 O GLU A 22 13.396 4.136 28.102 1.00 0.00 O ATOM 305 CB GLU A 22 10.607 2.694 27.076 1.00 0.00 C ATOM 306 CG GLU A 22 10.974 1.208 27.093 1.00 0.00 C ATOM 307 CD GLU A 22 11.233 0.615 25.716 1.00 0.00 C ATOM 308 OE1 GLU A 22 12.390 0.668 25.243 1.00 0.00 O ATOM 309 OE2 GLU A 22 10.287 0.089 25.102 1.00 0.00 O ATOM 0 H GLU A 22 11.151 2.714 24.688 1.00 0.00 H new ATOM 0 HA GLU A 22 11.392 4.668 26.689 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.392 3.009 28.097 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.687 2.817 26.504 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.863 1.072 27.708 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.168 0.651 27.570 1.00 0.00 H new ATOM 316 N GLU A 23 13.787 2.434 26.681 1.00 0.00 N ATOM 317 CA GLU A 23 15.095 2.121 27.240 1.00 0.00 C ATOM 318 C GLU A 23 16.089 3.246 26.968 1.00 0.00 C ATOM 319 O GLU A 23 16.804 3.676 27.864 1.00 0.00 O ATOM 320 CB GLU A 23 15.612 0.800 26.670 1.00 0.00 C ATOM 321 CG GLU A 23 16.954 0.373 27.237 1.00 0.00 C ATOM 322 CD GLU A 23 17.400 -0.976 26.721 1.00 0.00 C ATOM 323 OE1 GLU A 23 17.922 -1.042 25.586 1.00 0.00 O ATOM 324 OE2 GLU A 23 17.218 -1.980 27.441 1.00 0.00 O ATOM 0 H GLU A 23 13.511 1.840 25.899 1.00 0.00 H new ATOM 0 HA GLU A 23 14.989 2.019 28.320 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.879 0.018 26.867 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.698 0.891 25.587 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.706 1.121 26.985 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.891 0.339 28.325 1.00 0.00 H new ATOM 331 N CYS A 24 16.120 3.737 25.739 1.00 0.00 N ATOM 332 CA CYS A 24 17.023 4.825 25.383 1.00 0.00 C ATOM 333 C CYS A 24 16.761 6.057 26.250 1.00 0.00 C ATOM 334 O CYS A 24 17.686 6.783 26.614 1.00 0.00 O ATOM 335 CB CYS A 24 16.875 5.176 23.902 1.00 0.00 C ATOM 336 SG CYS A 24 17.363 3.844 22.779 1.00 0.00 S ATOM 0 H CYS A 24 15.534 3.403 24.974 1.00 0.00 H new ATOM 0 HA CYS A 24 18.045 4.492 25.564 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.837 5.442 23.704 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.477 6.059 23.686 1.00 0.00 H new ATOM 0 HG CYS A 24 16.369 3.020 22.626 1.00 0.00 H new ATOM 342 N LEU A 25 15.502 6.261 26.616 1.00 0.00 N ATOM 343 CA LEU A 25 15.107 7.421 27.407 1.00 0.00 C ATOM 344 C LEU A 25 15.621 7.348 28.846 1.00 0.00 C ATOM 345 O LEU A 25 15.641 8.358 29.547 1.00 0.00 O ATOM 346 CB LEU A 25 13.584 7.571 27.402 1.00 0.00 C ATOM 347 CG LEU A 25 12.982 7.987 26.059 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.464 7.971 26.125 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.479 9.369 25.663 1.00 0.00 C ATOM 0 H LEU A 25 14.733 5.635 26.377 1.00 0.00 H new ATOM 0 HA LEU A 25 15.563 8.296 26.943 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.139 6.623 27.705 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.304 8.309 28.153 1.00 0.00 H new ATOM 0 HG LEU A 25 13.301 7.270 25.302 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.055 8.270 25.160 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.121 6.966 26.369 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.126 8.666 26.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.042 9.652 24.705 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.186 10.093 26.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.565 9.354 25.576 1.00 0.00 H new ATOM 361 N LYS A 26 16.047 6.168 29.289 1.00 0.00 N ATOM 362 CA LYS A 26 16.524 6.010 30.661 1.00 0.00 C ATOM 363 C LYS A 26 17.943 6.560 30.804 1.00 0.00 C ATOM 364 O LYS A 26 18.375 6.915 31.902 1.00 0.00 O ATOM 365 CB LYS A 26 16.474 4.537 31.095 1.00 0.00 C ATOM 366 CG LYS A 26 17.652 3.698 30.614 1.00 0.00 C ATOM 367 CD LYS A 26 17.404 2.206 30.794 1.00 0.00 C ATOM 368 CE LYS A 26 17.235 1.828 32.254 1.00 0.00 C ATOM 369 NZ LYS A 26 17.008 0.368 32.420 1.00 0.00 N ATOM 0 H LYS A 26 16.072 5.317 28.727 1.00 0.00 H new ATOM 0 HA LYS A 26 15.863 6.580 31.314 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.433 4.493 32.183 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.551 4.092 30.723 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.841 3.909 29.562 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.549 3.985 31.163 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.511 1.918 30.240 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.237 1.646 30.369 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.123 2.124 32.812 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.394 2.378 32.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.897 0.147 33.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.147 0.090 31.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.822 -0.155 32.038 1.00 0.00 H new ATOM 383 N ILE A 27 18.662 6.641 29.689 1.00 0.00 N ATOM 384 CA ILE A 27 20.041 7.118 29.709 1.00 0.00 C ATOM 385 C ILE A 27 20.235 8.313 28.782 1.00 0.00 C ATOM 386 O ILE A 27 21.338 8.841 28.662 1.00 0.00 O ATOM 387 CB ILE A 27 21.035 6.006 29.313 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.640 5.387 27.968 1.00 0.00 C ATOM 389 CG2 ILE A 27 21.104 4.943 30.400 1.00 0.00 C ATOM 390 CD1 ILE A 27 21.617 4.345 27.464 1.00 0.00 C ATOM 0 H ILE A 27 18.315 6.384 28.765 1.00 0.00 H new ATOM 0 HA ILE A 27 20.244 7.426 30.735 1.00 0.00 H new ATOM 0 HB ILE A 27 22.026 6.448 29.205 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.655 4.931 28.064 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.554 6.180 27.225 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.809 4.166 30.105 1.00 0.00 H new ATOM 0 HG22 ILE A 27 21.435 5.398 31.334 1.00 0.00 H new ATOM 0 HG23 ILE A 27 20.117 4.502 30.541 1.00 0.00 H new ATOM 0 HD11 ILE A 27 21.270 3.953 26.508 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.599 4.800 27.335 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.686 3.532 28.186 1.00 0.00 H new ATOM 402 N GLY A 28 19.158 8.740 28.136 1.00 0.00 N ATOM 403 CA GLY A 28 19.243 9.857 27.211 1.00 0.00 C ATOM 404 C GLY A 28 19.939 9.480 25.916 1.00 0.00 C ATOM 405 O GLY A 28 20.692 10.272 25.352 1.00 0.00 O ATOM 0 H GLY A 28 18.227 8.334 28.235 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.239 10.220 26.989 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.781 10.678 27.685 1.00 0.00 H new ATOM 409 N SER A 29 19.681 8.270 25.449 1.00 0.00 N ATOM 410 CA SER A 29 20.296 7.769 24.232 1.00 0.00 C ATOM 411 C SER A 29 19.454 8.145 23.016 1.00 0.00 C ATOM 412 O SER A 29 18.239 7.934 23.003 1.00 0.00 O ATOM 413 CB SER A 29 20.457 6.247 24.316 1.00 0.00 C ATOM 414 OG SER A 29 21.102 5.727 23.166 1.00 0.00 O ATOM 0 H SER A 29 19.044 7.612 25.899 1.00 0.00 H new ATOM 0 HA SER A 29 21.281 8.224 24.124 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.033 5.990 25.205 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.477 5.782 24.426 1.00 0.00 H new ATOM 0 HG SER A 29 21.049 4.748 23.176 1.00 0.00 H new ATOM 420 N PRO A 30 20.086 8.728 21.989 1.00 0.00 N ATOM 421 CA PRO A 30 19.404 9.086 20.749 1.00 0.00 C ATOM 422 C PRO A 30 19.146 7.872 19.861 1.00 0.00 C ATOM 423 O PRO A 30 19.989 6.979 19.741 1.00 0.00 O ATOM 424 CB PRO A 30 20.379 10.051 20.076 1.00 0.00 C ATOM 425 CG PRO A 30 21.724 9.648 20.577 1.00 0.00 C ATOM 426 CD PRO A 30 21.515 9.097 21.964 1.00 0.00 C ATOM 0 HA PRO A 30 18.419 9.516 20.931 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.323 9.976 18.990 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.154 11.085 20.336 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.172 8.898 19.925 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.403 10.501 20.596 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.154 8.234 22.151 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.749 9.838 22.728 1.00 0.00 H new ATOM 434 N TRP A 31 17.972 7.836 19.256 1.00 0.00 N ATOM 435 CA TRP A 31 17.612 6.766 18.340 1.00 0.00 C ATOM 436 C TRP A 31 17.601 7.283 16.909 1.00 0.00 C ATOM 437 O TRP A 31 17.772 8.481 16.673 1.00 0.00 O ATOM 438 CB TRP A 31 16.240 6.190 18.707 1.00 0.00 C ATOM 439 CG TRP A 31 15.169 7.233 18.836 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.530 7.889 17.821 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.608 7.735 20.053 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.617 8.775 18.335 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.642 8.696 19.702 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.829 7.466 21.407 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.900 9.387 20.652 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.090 8.153 22.350 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.134 9.103 21.969 1.00 0.00 C ATOM 0 H TRP A 31 17.246 8.541 19.384 1.00 0.00 H new ATOM 0 HA TRP A 31 18.355 5.972 18.420 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.943 5.467 17.947 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.323 5.647 19.648 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.716 7.733 16.769 1.00 0.00 H new ATOM 0 HE1 TRP A 31 13.017 9.392 17.788 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.564 6.735 21.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.165 10.122 20.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.252 7.954 23.399 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.570 9.622 22.730 1.00 0.00 H new ATOM 458 N VAL A 32 17.401 6.384 15.960 1.00 0.00 N ATOM 459 CA VAL A 32 17.314 6.770 14.563 1.00 0.00 C ATOM 460 C VAL A 32 15.861 6.727 14.101 1.00 0.00 C ATOM 461 O VAL A 32 15.311 7.737 13.664 1.00 0.00 O ATOM 462 CB VAL A 32 18.180 5.863 13.664 1.00 0.00 C ATOM 463 CG1 VAL A 32 18.170 6.356 12.225 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.604 5.787 14.193 1.00 0.00 C ATOM 0 H VAL A 32 17.296 5.384 16.131 1.00 0.00 H new ATOM 0 HA VAL A 32 17.696 7.787 14.475 1.00 0.00 H new ATOM 0 HB VAL A 32 17.752 4.861 13.682 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.788 5.700 11.611 1.00 0.00 H new ATOM 0 HG12 VAL A 32 17.148 6.351 11.846 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.567 7.370 12.185 1.00 0.00 H new ATOM 0 HG21 VAL A 32 20.199 5.143 13.545 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.040 6.786 14.210 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.596 5.378 15.203 1.00 0.00 H new ATOM 474 N HIS A 33 15.236 5.558 14.202 1.00 0.00 N ATOM 475 CA HIS A 33 13.828 5.411 13.846 1.00 0.00 C ATOM 476 C HIS A 33 13.084 4.615 14.911 1.00 0.00 C ATOM 477 O HIS A 33 13.687 3.845 15.662 1.00 0.00 O ATOM 478 CB HIS A 33 13.666 4.719 12.490 1.00 0.00 C ATOM 479 CG HIS A 33 14.305 5.446 11.349 1.00 0.00 C ATOM 480 ND1 HIS A 33 15.335 4.912 10.612 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.049 6.663 10.810 1.00 0.00 C ATOM 482 CE1 HIS A 33 15.689 5.762 9.668 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.924 6.831 9.767 1.00 0.00 N ATOM 0 H HIS A 33 15.681 4.700 14.527 1.00 0.00 H new ATOM 0 HA HIS A 33 13.403 6.413 13.780 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.093 3.718 12.553 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.603 4.600 12.280 1.00 0.00 H new ATOM 0 HD1 HIS A 33 15.760 3.999 10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.299 7.367 11.139 1.00 0.00 H new ATOM 0 HE1 HIS A 33 16.471 5.609 8.939 1.00 0.00 H new ATOM 492 N LEU A 34 11.770 4.794 14.955 1.00 0.00 N ATOM 493 CA LEU A 34 10.929 4.133 15.942 1.00 0.00 C ATOM 494 C LEU A 34 9.770 3.415 15.270 1.00 0.00 C ATOM 495 O LEU A 34 9.247 3.869 14.249 1.00 0.00 O ATOM 496 CB LEU A 34 10.380 5.151 16.938 1.00 0.00 C ATOM 497 CG LEU A 34 11.429 5.875 17.775 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.777 6.985 18.575 1.00 0.00 C ATOM 499 CD2 LEU A 34 12.143 4.898 18.698 1.00 0.00 C ATOM 0 H LEU A 34 11.260 5.398 14.311 1.00 0.00 H new ATOM 0 HA LEU A 34 11.542 3.402 16.469 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.800 5.894 16.391 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.691 4.641 17.611 1.00 0.00 H new ATOM 0 HG LEU A 34 12.170 6.314 17.107 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.533 7.497 19.170 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.307 7.696 17.895 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.021 6.561 19.236 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.888 5.433 19.287 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.418 4.432 19.366 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.635 4.129 18.103 1.00 0.00 H new ATOM 511 N ARG A 35 9.365 2.301 15.857 1.00 0.00 N ATOM 512 CA ARG A 35 8.266 1.508 15.329 1.00 0.00 C ATOM 513 C ARG A 35 7.318 1.073 16.441 1.00 0.00 C ATOM 514 O ARG A 35 7.749 0.626 17.506 1.00 0.00 O ATOM 515 CB ARG A 35 8.803 0.288 14.558 1.00 0.00 C ATOM 516 CG ARG A 35 10.092 -0.305 15.127 1.00 0.00 C ATOM 517 CD ARG A 35 9.868 -1.064 16.428 1.00 0.00 C ATOM 518 NE ARG A 35 9.529 -2.469 16.211 1.00 0.00 N ATOM 519 CZ ARG A 35 9.464 -3.375 17.187 1.00 0.00 C ATOM 520 NH1 ARG A 35 9.583 -2.998 18.457 1.00 0.00 N ATOM 521 NH2 ARG A 35 9.281 -4.655 16.889 1.00 0.00 N ATOM 0 H ARG A 35 9.784 1.923 16.706 1.00 0.00 H new ATOM 0 HA ARG A 35 7.701 2.131 14.636 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.036 -0.486 14.548 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.978 0.577 13.522 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.533 -0.977 14.391 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.811 0.496 15.298 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.768 -1.002 17.039 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.067 -0.584 16.990 1.00 0.00 H new ATOM 0 HE ARG A 35 9.331 -2.774 15.258 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.724 -2.014 18.686 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.533 -3.693 19.202 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.190 -4.944 15.915 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.231 -5.350 17.634 1.00 0.00 H new ATOM 535 N ILE A 36 6.028 1.221 16.195 1.00 0.00 N ATOM 536 CA ILE A 36 5.016 0.750 17.123 1.00 0.00 C ATOM 537 C ILE A 36 4.510 -0.611 16.668 1.00 0.00 C ATOM 538 O ILE A 36 4.059 -0.791 15.540 1.00 0.00 O ATOM 539 CB ILE A 36 3.842 1.751 17.276 1.00 0.00 C ATOM 540 CG1 ILE A 36 2.803 1.206 18.262 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.200 2.060 15.929 1.00 0.00 C ATOM 542 CD1 ILE A 36 1.678 2.174 18.563 1.00 0.00 C ATOM 0 H ILE A 36 5.656 1.666 15.356 1.00 0.00 H new ATOM 0 HA ILE A 36 5.476 0.661 18.107 1.00 0.00 H new ATOM 0 HB ILE A 36 4.242 2.684 17.673 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.380 0.286 17.858 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.303 0.944 19.194 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.380 2.765 16.070 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.944 2.497 15.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.816 1.140 15.489 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.983 1.717 19.268 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.089 3.085 18.998 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.151 2.418 17.640 1.00 0.00 H new ATOM 554 N CYS A 37 4.644 -1.576 17.544 1.00 0.00 N ATOM 555 CA CYS A 37 4.261 -2.943 17.252 1.00 0.00 C ATOM 556 C CYS A 37 2.743 -3.087 17.309 1.00 0.00 C ATOM 557 O CYS A 37 2.154 -3.052 18.391 1.00 0.00 O ATOM 558 CB CYS A 37 4.941 -3.840 18.271 1.00 0.00 C ATOM 559 SG CYS A 37 4.650 -5.616 18.094 1.00 0.00 S ATOM 0 H CYS A 37 5.022 -1.440 18.482 1.00 0.00 H new ATOM 0 HA CYS A 37 4.573 -3.228 16.247 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.015 -3.662 18.220 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.614 -3.537 19.266 1.00 0.00 H new ATOM 564 N ARG A 38 2.125 -3.271 16.141 1.00 0.00 N ATOM 565 CA ARG A 38 0.663 -3.227 16.000 1.00 0.00 C ATOM 566 C ARG A 38 -0.038 -4.423 16.650 1.00 0.00 C ATOM 567 O ARG A 38 -1.250 -4.583 16.508 1.00 0.00 O ATOM 568 CB ARG A 38 0.276 -3.176 14.518 1.00 0.00 C ATOM 569 CG ARG A 38 0.712 -1.911 13.792 1.00 0.00 C ATOM 570 CD ARG A 38 -0.013 -0.675 14.307 1.00 0.00 C ATOM 571 NE ARG A 38 -1.470 -0.811 14.236 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.277 0.098 13.684 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.781 1.192 13.132 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.590 -0.087 13.691 1.00 0.00 N ATOM 0 H ARG A 38 2.619 -3.454 15.268 1.00 0.00 H new ATOM 0 HA ARG A 38 0.333 -2.326 16.517 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.712 -4.038 14.012 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.807 -3.272 14.435 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.787 -1.777 13.913 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.523 -2.023 12.724 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.282 -0.488 15.340 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.297 0.193 13.725 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.893 -1.650 14.632 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.773 1.348 13.125 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.406 1.880 12.713 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.985 -0.925 14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.205 0.608 13.269 1.00 0.00 H new ATOM 588 N THR A 39 0.710 -5.258 17.354 1.00 0.00 N ATOM 589 CA THR A 39 0.124 -6.426 17.992 1.00 0.00 C ATOM 590 C THR A 39 -0.078 -6.203 19.491 1.00 0.00 C ATOM 591 O THR A 39 -1.048 -6.684 20.072 1.00 0.00 O ATOM 592 CB THR A 39 1.000 -7.674 17.780 1.00 0.00 C ATOM 593 OG1 THR A 39 1.381 -7.772 16.401 1.00 0.00 O ATOM 594 CG2 THR A 39 0.256 -8.936 18.193 1.00 0.00 C ATOM 0 H THR A 39 1.714 -5.151 17.497 1.00 0.00 H new ATOM 0 HA THR A 39 -0.848 -6.586 17.525 1.00 0.00 H new ATOM 0 HB THR A 39 1.890 -7.576 18.401 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.940 -8.567 16.272 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.896 -9.804 18.034 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.012 -8.872 19.247 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.649 -9.037 17.594 1.00 0.00 H new ATOM 602 N CYS A 40 0.823 -5.448 20.112 1.00 0.00 N ATOM 603 CA CYS A 40 0.791 -5.294 21.565 1.00 0.00 C ATOM 604 C CYS A 40 0.871 -3.823 21.984 1.00 0.00 C ATOM 605 O CYS A 40 0.530 -3.478 23.111 1.00 0.00 O ATOM 606 CB CYS A 40 1.928 -6.096 22.207 1.00 0.00 C ATOM 607 SG CYS A 40 3.591 -5.514 21.754 1.00 0.00 S ATOM 0 H CYS A 40 1.573 -4.940 19.643 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.164 -5.682 21.918 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.822 -6.053 23.291 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.829 -7.142 21.918 1.00 0.00 H new ATOM 612 N GLY A 41 1.312 -2.955 21.073 1.00 0.00 N ATOM 613 CA GLY A 41 1.374 -1.533 21.379 1.00 0.00 C ATOM 614 C GLY A 41 2.729 -1.083 21.893 1.00 0.00 C ATOM 615 O GLY A 41 2.888 0.057 22.328 1.00 0.00 O ATOM 0 H GLY A 41 1.625 -3.208 20.136 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.128 -0.965 20.482 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.615 -1.296 22.124 1.00 0.00 H new ATOM 619 N HIS A 42 3.720 -1.959 21.827 1.00 0.00 N ATOM 620 CA HIS A 42 5.034 -1.622 22.350 1.00 0.00 C ATOM 621 C HIS A 42 5.862 -0.941 21.270 1.00 0.00 C ATOM 622 O HIS A 42 5.995 -1.455 20.153 1.00 0.00 O ATOM 623 CB HIS A 42 5.754 -2.868 22.877 1.00 0.00 C ATOM 624 CG HIS A 42 6.858 -2.553 23.844 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.715 -2.665 25.208 1.00 0.00 N ATOM 626 CD2 HIS A 42 8.119 -2.111 23.638 1.00 0.00 C ATOM 627 CE1 HIS A 42 7.839 -2.302 25.795 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.711 -1.956 24.865 1.00 0.00 N ATOM 0 H HIS A 42 3.642 -2.893 21.424 1.00 0.00 H new ATOM 0 HA HIS A 42 4.907 -0.934 23.186 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.028 -3.519 23.365 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.166 -3.424 22.035 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.577 -1.915 22.680 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.017 -2.290 26.860 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.663 -1.629 25.031 1.00 0.00 H new ATOM 637 N VAL A 43 6.401 0.218 21.608 1.00 0.00 N ATOM 638 CA VAL A 43 7.202 1.003 20.685 1.00 0.00 C ATOM 639 C VAL A 43 8.680 0.695 20.894 1.00 0.00 C ATOM 640 O VAL A 43 9.142 0.582 22.029 1.00 0.00 O ATOM 641 CB VAL A 43 6.961 2.518 20.884 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.694 3.330 19.826 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.471 2.834 20.863 1.00 0.00 C ATOM 0 H VAL A 43 6.296 0.641 22.530 1.00 0.00 H new ATOM 0 HA VAL A 43 6.906 0.736 19.670 1.00 0.00 H new ATOM 0 HB VAL A 43 7.358 2.796 21.860 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.508 4.392 19.989 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.764 3.135 19.894 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.336 3.046 18.837 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.324 3.905 21.005 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.049 2.534 19.904 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.972 2.290 21.665 1.00 0.00 H new ATOM 653 N GLY A 44 9.416 0.531 19.806 1.00 0.00 N ATOM 654 CA GLY A 44 10.827 0.255 19.920 1.00 0.00 C ATOM 655 C GLY A 44 11.624 0.946 18.845 1.00 0.00 C ATOM 656 O GLY A 44 11.066 1.376 17.837 1.00 0.00 O ATOM 0 H GLY A 44 9.061 0.584 18.851 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.182 0.578 20.899 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.992 -0.821 19.860 1.00 0.00 H new ATOM 660 N CYS A 45 12.920 1.067 19.062 1.00 0.00 N ATOM 661 CA CYS A 45 13.808 1.619 18.056 1.00 0.00 C ATOM 662 C CYS A 45 14.060 0.579 16.970 1.00 0.00 C ATOM 663 O CYS A 45 14.117 -0.621 17.256 1.00 0.00 O ATOM 664 CB CYS A 45 15.126 2.048 18.699 1.00 0.00 C ATOM 665 SG CYS A 45 16.035 0.694 19.479 1.00 0.00 S ATOM 0 H CYS A 45 13.382 0.790 19.928 1.00 0.00 H new ATOM 0 HA CYS A 45 13.342 2.495 17.606 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.758 2.506 17.938 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.922 2.814 19.447 1.00 0.00 H new ATOM 0 HG CYS A 45 16.517 -0.090 18.561 1.00 0.00 H new ATOM 671 N CYS A 46 14.199 1.031 15.735 1.00 0.00 N ATOM 672 CA CYS A 46 14.404 0.127 14.613 1.00 0.00 C ATOM 673 C CYS A 46 15.813 -0.469 14.628 1.00 0.00 C ATOM 674 O CYS A 46 16.607 -0.193 15.531 1.00 0.00 O ATOM 675 CB CYS A 46 14.146 0.858 13.296 1.00 0.00 C ATOM 676 SG CYS A 46 12.456 1.478 13.122 1.00 0.00 S ATOM 0 H CYS A 46 14.174 2.019 15.483 1.00 0.00 H new ATOM 0 HA CYS A 46 13.695 -0.696 14.707 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.840 1.695 13.214 1.00 0.00 H new ATOM 0 HB3 CYS A 46 14.362 0.182 12.468 1.00 0.00 H new ATOM 0 HG CYS A 46 12.332 2.084 11.979 1.00 0.00 H new ATOM 682 N ASP A 47 16.106 -1.291 13.625 1.00 0.00 N ATOM 683 CA ASP A 47 17.403 -1.961 13.508 1.00 0.00 C ATOM 684 C ASP A 47 18.531 -0.945 13.357 1.00 0.00 C ATOM 685 O ASP A 47 19.644 -1.160 13.833 1.00 0.00 O ATOM 686 CB ASP A 47 17.380 -2.918 12.312 1.00 0.00 C ATOM 687 CG ASP A 47 18.731 -3.541 12.024 1.00 0.00 C ATOM 688 OD1 ASP A 47 19.285 -4.216 12.915 1.00 0.00 O ATOM 689 OD2 ASP A 47 19.246 -3.352 10.903 1.00 0.00 O ATOM 0 H ASP A 47 15.456 -1.513 12.871 1.00 0.00 H new ATOM 0 HA ASP A 47 17.587 -2.530 14.420 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.654 -3.709 12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.040 -2.378 11.428 1.00 0.00 H new ATOM 694 N ASP A 48 18.220 0.166 12.703 1.00 0.00 N ATOM 695 CA ASP A 48 19.168 1.268 12.532 1.00 0.00 C ATOM 696 C ASP A 48 19.686 1.784 13.872 1.00 0.00 C ATOM 697 O ASP A 48 20.828 2.231 13.977 1.00 0.00 O ATOM 698 CB ASP A 48 18.514 2.417 11.759 1.00 0.00 C ATOM 699 CG ASP A 48 17.102 2.720 12.232 1.00 0.00 C ATOM 700 OD1 ASP A 48 16.921 3.127 13.401 1.00 0.00 O ATOM 701 OD2 ASP A 48 16.164 2.548 11.424 1.00 0.00 O ATOM 0 H ASP A 48 17.309 0.332 12.276 1.00 0.00 H new ATOM 0 HA ASP A 48 20.016 0.881 11.967 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.126 3.313 11.862 1.00 0.00 H new ATOM 0 HB3 ASP A 48 18.491 2.168 10.698 1.00 0.00 H new ATOM 706 N SER A 49 18.849 1.716 14.891 1.00 0.00 N ATOM 707 CA SER A 49 19.224 2.180 16.212 1.00 0.00 C ATOM 708 C SER A 49 19.944 1.068 16.976 1.00 0.00 C ATOM 709 O SER A 49 19.507 -0.082 16.956 1.00 0.00 O ATOM 710 CB SER A 49 17.979 2.639 16.962 1.00 0.00 C ATOM 711 OG SER A 49 17.233 3.558 16.178 1.00 0.00 O ATOM 0 H SER A 49 17.902 1.342 14.828 1.00 0.00 H new ATOM 0 HA SER A 49 19.908 3.024 16.121 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.359 1.777 17.210 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.267 3.106 17.904 1.00 0.00 H new ATOM 0 HG SER A 49 17.145 3.213 15.265 1.00 0.00 H new ATOM 717 N PRO A 50 21.044 1.407 17.673 1.00 0.00 N ATOM 718 CA PRO A 50 21.946 0.422 18.300 1.00 0.00 C ATOM 719 C PRO A 50 21.256 -0.529 19.281 1.00 0.00 C ATOM 720 O PRO A 50 21.719 -1.647 19.494 1.00 0.00 O ATOM 721 CB PRO A 50 22.976 1.288 19.041 1.00 0.00 C ATOM 722 CG PRO A 50 22.367 2.646 19.124 1.00 0.00 C ATOM 723 CD PRO A 50 21.506 2.785 17.904 1.00 0.00 C ATOM 0 HA PRO A 50 22.370 -0.239 17.544 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.183 0.889 20.034 1.00 0.00 H new ATOM 0 HB3 PRO A 50 23.925 1.315 18.505 1.00 0.00 H new ATOM 0 HG2 PRO A 50 21.776 2.754 20.034 1.00 0.00 H new ATOM 0 HG3 PRO A 50 23.136 3.418 19.150 1.00 0.00 H new ATOM 0 HD2 PRO A 50 20.673 3.468 18.072 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.068 3.171 17.054 1.00 0.00 H new ATOM 731 N HIS A 51 20.148 -0.094 19.868 1.00 0.00 N ATOM 732 CA HIS A 51 19.443 -0.914 20.854 1.00 0.00 C ATOM 733 C HIS A 51 18.572 -1.977 20.173 1.00 0.00 C ATOM 734 O HIS A 51 18.108 -2.906 20.827 1.00 0.00 O ATOM 735 CB HIS A 51 18.596 -0.037 21.785 1.00 0.00 C ATOM 736 CG HIS A 51 19.402 0.785 22.754 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.290 0.666 24.124 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.324 1.757 22.542 1.00 0.00 C ATOM 739 CE1 HIS A 51 20.101 1.529 24.708 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.743 2.202 23.772 1.00 0.00 N ATOM 0 H HIS A 51 19.719 0.813 19.683 1.00 0.00 H new ATOM 0 HA HIS A 51 20.193 -1.430 21.454 1.00 0.00 H new ATOM 0 HB2 HIS A 51 17.983 0.631 21.180 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.913 -0.675 22.346 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.676 0.013 24.610 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.666 2.115 21.582 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.219 1.662 25.773 1.00 0.00 H new ATOM 749 N LYS A 52 18.358 -1.811 18.859 1.00 0.00 N ATOM 750 CA LYS A 52 17.635 -2.781 18.012 1.00 0.00 C ATOM 751 C LYS A 52 16.443 -3.444 18.711 1.00 0.00 C ATOM 752 O LYS A 52 16.337 -4.670 18.747 1.00 0.00 O ATOM 753 CB LYS A 52 18.592 -3.862 17.506 1.00 0.00 C ATOM 754 CG LYS A 52 19.744 -3.322 16.679 1.00 0.00 C ATOM 755 CD LYS A 52 20.595 -4.448 16.123 1.00 0.00 C ATOM 756 CE LYS A 52 21.791 -3.918 15.350 1.00 0.00 C ATOM 757 NZ LYS A 52 21.378 -3.140 14.154 1.00 0.00 N ATOM 0 H LYS A 52 18.684 -0.992 18.346 1.00 0.00 H new ATOM 0 HA LYS A 52 17.233 -2.206 17.178 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.994 -4.407 18.360 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.031 -4.579 16.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.355 -2.718 15.859 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.360 -2.666 17.294 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.941 -5.081 16.940 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.988 -5.075 15.470 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.394 -3.287 16.003 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.422 -4.752 15.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.219 -2.883 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.740 -3.716 13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.885 -2.276 14.456 1.00 0.00 H new ATOM 771 N HIS A 53 15.529 -2.642 19.236 1.00 0.00 N ATOM 772 CA HIS A 53 14.360 -3.183 19.923 1.00 0.00 C ATOM 773 C HIS A 53 13.334 -3.714 18.934 1.00 0.00 C ATOM 774 O HIS A 53 12.417 -4.441 19.308 1.00 0.00 O ATOM 775 CB HIS A 53 13.721 -2.140 20.838 1.00 0.00 C ATOM 776 CG HIS A 53 14.411 -2.023 22.158 1.00 0.00 C ATOM 777 ND1 HIS A 53 15.021 -0.870 22.594 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.583 -2.934 23.143 1.00 0.00 C ATOM 779 CE1 HIS A 53 15.541 -1.079 23.787 1.00 0.00 C ATOM 780 NE2 HIS A 53 15.290 -2.324 24.144 1.00 0.00 N ATOM 0 H HIS A 53 15.570 -1.623 19.202 1.00 0.00 H new ATOM 0 HA HIS A 53 14.705 -4.014 20.539 1.00 0.00 H new ATOM 0 HB2 HIS A 53 13.734 -1.171 20.340 1.00 0.00 H new ATOM 0 HB3 HIS A 53 12.675 -2.400 21.002 1.00 0.00 H new ATOM 0 HD1 HIS A 53 15.064 0.008 22.076 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.228 -3.954 23.140 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.082 -0.352 24.374 1.00 0.00 H new ATOM 789 N ALA A 54 13.473 -3.329 17.679 1.00 0.00 N ATOM 790 CA ALA A 54 12.575 -3.803 16.642 1.00 0.00 C ATOM 791 C ALA A 54 12.787 -5.288 16.362 1.00 0.00 C ATOM 792 O ALA A 54 11.832 -6.066 16.335 1.00 0.00 O ATOM 793 CB ALA A 54 12.762 -2.983 15.377 1.00 0.00 C ATOM 0 H ALA A 54 14.198 -2.690 17.353 1.00 0.00 H new ATOM 0 HA ALA A 54 11.551 -3.679 16.993 1.00 0.00 H new ATOM 0 HB1 ALA A 54 12.084 -3.346 14.605 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.545 -1.936 15.587 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.791 -3.078 15.030 1.00 0.00 H new ATOM 799 N THR A 55 14.040 -5.681 16.204 1.00 0.00 N ATOM 800 CA THR A 55 14.370 -7.049 15.846 1.00 0.00 C ATOM 801 C THR A 55 14.229 -7.991 17.039 1.00 0.00 C ATOM 802 O THR A 55 13.566 -9.027 16.949 1.00 0.00 O ATOM 803 CB THR A 55 15.801 -7.128 15.286 1.00 0.00 C ATOM 804 OG1 THR A 55 16.687 -6.362 16.114 1.00 0.00 O ATOM 805 CG2 THR A 55 15.857 -6.602 13.861 1.00 0.00 C ATOM 0 H THR A 55 14.848 -5.069 16.319 1.00 0.00 H new ATOM 0 HA THR A 55 13.664 -7.366 15.078 1.00 0.00 H new ATOM 0 HB THR A 55 16.110 -8.173 15.282 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.598 -6.416 15.756 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.879 -6.669 13.488 1.00 0.00 H new ATOM 0 HG22 THR A 55 15.200 -7.198 13.227 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.532 -5.562 13.844 1.00 0.00 H new ATOM 813 N ARG A 56 14.829 -7.610 18.163 1.00 0.00 N ATOM 814 CA ARG A 56 14.839 -8.456 19.351 1.00 0.00 C ATOM 815 C ARG A 56 13.427 -8.705 19.877 1.00 0.00 C ATOM 816 O ARG A 56 13.118 -9.806 20.335 1.00 0.00 O ATOM 817 CB ARG A 56 15.710 -7.837 20.446 1.00 0.00 C ATOM 818 CG ARG A 56 17.155 -7.627 20.023 1.00 0.00 C ATOM 819 CD ARG A 56 18.039 -7.272 21.207 1.00 0.00 C ATOM 820 NE ARG A 56 18.149 -8.380 22.158 1.00 0.00 N ATOM 821 CZ ARG A 56 18.909 -8.354 23.254 1.00 0.00 C ATOM 822 NH1 ARG A 56 19.631 -7.279 23.551 1.00 0.00 N ATOM 823 NH2 ARG A 56 18.949 -9.407 24.061 1.00 0.00 N ATOM 0 H ARG A 56 15.315 -6.720 18.276 1.00 0.00 H new ATOM 0 HA ARG A 56 15.263 -9.418 19.063 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.283 -6.879 20.741 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.687 -8.481 21.325 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.530 -8.533 19.547 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.205 -6.832 19.279 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.032 -7.000 20.850 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.632 -6.397 21.714 1.00 0.00 H new ATOM 0 HE ARG A 56 17.610 -9.226 21.970 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.607 -6.464 22.939 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.209 -7.269 24.391 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.398 -10.237 23.843 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.531 -9.386 24.899 1.00 0.00 H new ATOM 837 N HIS A 57 12.566 -7.693 19.795 1.00 0.00 N ATOM 838 CA HIS A 57 11.187 -7.834 20.255 1.00 0.00 C ATOM 839 C HIS A 57 10.446 -8.883 19.431 1.00 0.00 C ATOM 840 O HIS A 57 9.639 -9.644 19.967 1.00 0.00 O ATOM 841 CB HIS A 57 10.444 -6.493 20.189 1.00 0.00 C ATOM 842 CG HIS A 57 9.006 -6.570 20.617 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.576 -6.390 21.912 1.00 0.00 N ATOM 844 CD2 HIS A 57 7.888 -6.822 19.884 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.245 -6.539 21.929 1.00 0.00 C ATOM 846 NE2 HIS A 57 6.778 -6.802 20.721 1.00 0.00 N ATOM 0 H HIS A 57 12.796 -6.774 19.418 1.00 0.00 H new ATOM 0 HA HIS A 57 11.217 -8.162 21.294 1.00 0.00 H new ATOM 0 HB2 HIS A 57 10.962 -5.771 20.820 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.489 -6.114 19.168 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.167 -6.180 22.717 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.866 -7.008 18.820 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.633 -6.455 22.815 1.00 0.00 H new ATOM 854 N PHE A 58 10.720 -8.920 18.131 1.00 0.00 N ATOM 855 CA PHE A 58 10.067 -9.875 17.245 1.00 0.00 C ATOM 856 C PHE A 58 10.416 -11.300 17.653 1.00 0.00 C ATOM 857 O PHE A 58 9.543 -12.161 17.739 1.00 0.00 O ATOM 858 CB PHE A 58 10.467 -9.629 15.788 1.00 0.00 C ATOM 859 CG PHE A 58 9.924 -10.660 14.833 1.00 0.00 C ATOM 860 CD1 PHE A 58 8.599 -11.057 14.889 1.00 0.00 C ATOM 861 CD2 PHE A 58 10.747 -11.232 13.884 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.109 -12.007 14.015 1.00 0.00 C ATOM 863 CE2 PHE A 58 10.264 -12.182 13.004 1.00 0.00 C ATOM 864 CZ PHE A 58 8.942 -12.571 13.071 1.00 0.00 C ATOM 0 H PHE A 58 11.387 -8.302 17.670 1.00 0.00 H new ATOM 0 HA PHE A 58 8.989 -9.738 17.332 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.115 -8.643 15.484 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.555 -9.615 15.716 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.941 -10.619 15.625 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.783 -10.933 13.828 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.073 -12.309 14.070 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.920 -12.619 12.266 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.561 -13.314 12.387 1.00 0.00 H new ATOM 874 N HIS A 59 11.688 -11.535 17.931 1.00 0.00 N ATOM 875 CA HIS A 59 12.150 -12.863 18.311 1.00 0.00 C ATOM 876 C HIS A 59 11.652 -13.229 19.707 1.00 0.00 C ATOM 877 O HIS A 59 11.469 -14.403 20.025 1.00 0.00 O ATOM 878 CB HIS A 59 13.677 -12.922 18.264 1.00 0.00 C ATOM 879 CG HIS A 59 14.229 -14.315 18.280 1.00 0.00 C ATOM 880 ND1 HIS A 59 14.400 -15.059 17.137 1.00 0.00 N ATOM 881 CD2 HIS A 59 14.653 -15.097 19.300 1.00 0.00 C ATOM 882 CE1 HIS A 59 14.903 -16.235 17.448 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.069 -16.288 18.757 1.00 0.00 N ATOM 0 H HIS A 59 12.420 -10.825 17.901 1.00 0.00 H new ATOM 0 HA HIS A 59 11.745 -13.585 17.602 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.023 -12.414 17.364 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.079 -12.372 19.115 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.662 -14.833 20.347 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.140 -17.024 16.750 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.444 -17.081 19.278 1.00 0.00 H new ATOM 892 N ALA A 60 11.427 -12.216 20.531 1.00 0.00 N ATOM 893 CA ALA A 60 11.003 -12.425 21.907 1.00 0.00 C ATOM 894 C ALA A 60 9.511 -12.734 22.010 1.00 0.00 C ATOM 895 O ALA A 60 9.107 -13.622 22.759 1.00 0.00 O ATOM 896 CB ALA A 60 11.345 -11.207 22.747 1.00 0.00 C ATOM 0 H ALA A 60 11.532 -11.236 20.268 1.00 0.00 H new ATOM 0 HA ALA A 60 11.541 -13.294 22.287 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.024 -11.372 23.775 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.422 -11.041 22.725 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.835 -10.332 22.344 1.00 0.00 H new ATOM 902 N THR A 61 8.691 -12.001 21.268 1.00 0.00 N ATOM 903 CA THR A 61 7.242 -12.156 21.368 1.00 0.00 C ATOM 904 C THR A 61 6.659 -12.939 20.196 1.00 0.00 C ATOM 905 O THR A 61 5.730 -13.729 20.369 1.00 0.00 O ATOM 906 CB THR A 61 6.535 -10.790 21.451 1.00 0.00 C ATOM 907 OG1 THR A 61 7.023 -9.920 20.419 1.00 0.00 O ATOM 908 CG2 THR A 61 6.746 -10.146 22.811 1.00 0.00 C ATOM 0 H THR A 61 8.999 -11.299 20.595 1.00 0.00 H new ATOM 0 HA THR A 61 7.065 -12.718 22.285 1.00 0.00 H new ATOM 0 HB THR A 61 5.466 -10.953 21.312 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.960 -9.696 20.596 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.236 -9.183 22.841 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.342 -10.795 23.588 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.812 -9.997 22.982 1.00 0.00 H new ATOM 916 N GLY A 62 7.206 -12.726 19.011 1.00 0.00 N ATOM 917 CA GLY A 62 6.638 -13.319 17.819 1.00 0.00 C ATOM 918 C GLY A 62 5.598 -12.414 17.195 1.00 0.00 C ATOM 919 O GLY A 62 4.516 -12.860 16.813 1.00 0.00 O ATOM 0 H GLY A 62 8.034 -12.152 18.852 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.430 -13.518 17.097 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.185 -14.279 18.068 1.00 0.00 H new ATOM 923 N HIS A 63 5.924 -11.131 17.103 1.00 0.00 N ATOM 924 CA HIS A 63 5.009 -10.142 16.543 1.00 0.00 C ATOM 925 C HIS A 63 5.604 -9.579 15.258 1.00 0.00 C ATOM 926 O HIS A 63 6.466 -8.701 15.296 1.00 0.00 O ATOM 927 CB HIS A 63 4.733 -9.013 17.547 1.00 0.00 C ATOM 928 CG HIS A 63 4.001 -9.446 18.789 1.00 0.00 C ATOM 929 ND1 HIS A 63 3.895 -8.621 19.884 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.345 -10.605 19.053 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.189 -9.282 20.776 1.00 0.00 C ATOM 932 NE2 HIS A 63 2.831 -10.491 20.322 1.00 0.00 N ATOM 0 H HIS A 63 6.819 -10.749 17.410 1.00 0.00 H new ATOM 0 HA HIS A 63 4.058 -10.626 16.322 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.682 -8.563 17.838 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.151 -8.236 17.050 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.246 -11.454 18.392 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.930 -8.898 21.752 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.283 -11.191 20.822 1.00 0.00 H new ATOM 940 N PRO A 64 5.154 -10.091 14.103 1.00 0.00 N ATOM 941 CA PRO A 64 5.814 -9.857 12.817 1.00 0.00 C ATOM 942 C PRO A 64 5.433 -8.549 12.123 1.00 0.00 C ATOM 943 O PRO A 64 5.920 -8.277 11.026 1.00 0.00 O ATOM 944 CB PRO A 64 5.337 -11.044 11.985 1.00 0.00 C ATOM 945 CG PRO A 64 3.969 -11.341 12.501 1.00 0.00 C ATOM 946 CD PRO A 64 3.966 -10.956 13.960 1.00 0.00 C ATOM 0 HA PRO A 64 6.893 -9.769 12.946 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.316 -10.800 10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.999 -11.902 12.102 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.216 -10.777 11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.729 -12.397 12.378 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.052 -10.427 14.232 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.031 -11.833 14.604 1.00 0.00 H new ATOM 954 N ILE A 65 4.571 -7.742 12.731 1.00 0.00 N ATOM 955 CA ILE A 65 4.148 -6.499 12.092 1.00 0.00 C ATOM 956 C ILE A 65 4.374 -5.289 12.989 1.00 0.00 C ATOM 957 O ILE A 65 3.998 -5.277 14.166 1.00 0.00 O ATOM 958 CB ILE A 65 2.668 -6.542 11.648 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.462 -7.646 10.606 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.239 -5.191 11.083 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.063 -7.695 10.033 1.00 0.00 C ATOM 0 H ILE A 65 4.158 -7.919 13.647 1.00 0.00 H new ATOM 0 HA ILE A 65 4.772 -6.397 11.204 1.00 0.00 H new ATOM 0 HB ILE A 65 2.050 -6.762 12.519 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.172 -7.501 9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.691 -8.609 11.062 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.194 -5.240 10.776 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.356 -4.423 11.848 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.859 -4.943 10.222 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.997 -8.502 9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.347 -7.872 10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.836 -6.746 9.547 1.00 0.00 H new ATOM 973 N ILE A 66 5.002 -4.274 12.414 1.00 0.00 N ATOM 974 CA ILE A 66 5.249 -3.017 13.099 1.00 0.00 C ATOM 975 C ILE A 66 4.835 -1.850 12.219 1.00 0.00 C ATOM 976 O ILE A 66 4.801 -1.974 10.998 1.00 0.00 O ATOM 977 CB ILE A 66 6.736 -2.853 13.466 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.605 -2.955 12.205 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.135 -3.900 14.491 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.059 -2.605 12.427 1.00 0.00 C ATOM 0 H ILE A 66 5.355 -4.300 11.457 1.00 0.00 H new ATOM 0 HA ILE A 66 4.659 -3.028 14.016 1.00 0.00 H new ATOM 0 HB ILE A 66 6.892 -1.868 13.906 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.542 -3.971 11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.196 -2.294 11.441 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.188 -3.777 14.745 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.528 -3.780 15.389 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.976 -4.895 14.076 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.604 -2.702 11.488 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.135 -1.579 12.787 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.487 -3.281 13.167 1.00 0.00 H new ATOM 992 N GLU A 67 4.522 -0.729 12.839 1.00 0.00 N ATOM 993 CA GLU A 67 4.156 0.474 12.113 1.00 0.00 C ATOM 994 C GLU A 67 5.168 1.576 12.395 1.00 0.00 C ATOM 995 O GLU A 67 5.682 1.680 13.512 1.00 0.00 O ATOM 996 CB GLU A 67 2.746 0.913 12.517 1.00 0.00 C ATOM 997 CG GLU A 67 2.297 2.227 11.900 1.00 0.00 C ATOM 998 CD GLU A 67 0.850 2.542 12.213 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.495 2.624 13.409 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.053 2.674 11.270 1.00 0.00 O ATOM 0 H GLU A 67 4.514 -0.625 13.854 1.00 0.00 H new ATOM 0 HA GLU A 67 4.161 0.269 11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.040 0.132 12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.703 1.002 13.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.930 3.034 12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.432 2.184 10.819 1.00 0.00 H new ATOM 1007 N GLY A 68 5.475 2.369 11.379 1.00 0.00 N ATOM 1008 CA GLY A 68 6.395 3.476 11.547 1.00 0.00 C ATOM 1009 C GLY A 68 5.815 4.562 12.430 1.00 0.00 C ATOM 1010 O GLY A 68 4.982 5.348 11.987 1.00 0.00 O ATOM 0 H GLY A 68 5.101 2.265 10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.326 3.112 11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.642 3.894 10.571 1.00 0.00 H new ATOM 1014 N TYR A 69 6.258 4.602 13.680 1.00 0.00 N ATOM 1015 CA TYR A 69 5.713 5.539 14.653 1.00 0.00 C ATOM 1016 C TYR A 69 6.468 6.863 14.598 1.00 0.00 C ATOM 1017 O TYR A 69 5.910 7.930 14.859 1.00 0.00 O ATOM 1018 CB TYR A 69 5.797 4.932 16.055 1.00 0.00 C ATOM 1019 CG TYR A 69 4.816 5.532 17.036 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.474 5.659 16.702 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.225 5.968 18.290 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.567 6.204 17.587 1.00 0.00 C ATOM 1023 CE2 TYR A 69 4.322 6.515 19.182 1.00 0.00 C ATOM 1024 CZ TYR A 69 2.995 6.630 18.825 1.00 0.00 C ATOM 1025 OH TYR A 69 2.092 7.179 19.705 1.00 0.00 O ATOM 0 H TYR A 69 6.994 3.996 14.044 1.00 0.00 H new ATOM 0 HA TYR A 69 4.668 5.733 14.413 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.620 3.859 15.988 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.808 5.065 16.439 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.135 5.325 15.733 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.264 5.878 18.572 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.527 6.296 17.311 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.654 6.851 20.153 1.00 0.00 H new ATOM 0 HH TYR A 69 2.528 7.329 20.570 1.00 0.00 H new ATOM 1035 N ASP A 70 7.743 6.777 14.253 1.00 0.00 N ATOM 1036 CA ASP A 70 8.581 7.960 14.087 1.00 0.00 C ATOM 1037 C ASP A 70 8.334 8.634 12.731 1.00 0.00 C ATOM 1038 O ASP A 70 8.027 9.826 12.688 1.00 0.00 O ATOM 1039 CB ASP A 70 10.060 7.595 14.260 1.00 0.00 C ATOM 1040 CG ASP A 70 11.001 8.564 13.569 1.00 0.00 C ATOM 1041 OD1 ASP A 70 11.231 9.674 14.093 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.522 8.204 12.494 1.00 0.00 O ATOM 0 H ASP A 70 8.225 5.895 14.081 1.00 0.00 H new ATOM 0 HA ASP A 70 8.311 8.678 14.861 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.298 7.564 15.323 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.228 6.593 13.867 1.00 0.00 H new ATOM 1047 N PRO A 71 8.459 7.902 11.600 1.00 0.00 N ATOM 1048 CA PRO A 71 8.213 8.483 10.279 1.00 0.00 C ATOM 1049 C PRO A 71 6.738 8.821 10.071 1.00 0.00 C ATOM 1050 O PRO A 71 5.877 7.939 10.118 1.00 0.00 O ATOM 1051 CB PRO A 71 8.658 7.386 9.308 1.00 0.00 C ATOM 1052 CG PRO A 71 8.549 6.121 10.082 1.00 0.00 C ATOM 1053 CD PRO A 71 8.851 6.481 11.508 1.00 0.00 C ATOM 0 HA PRO A 71 8.747 9.423 10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.024 7.362 8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.679 7.552 8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.551 5.693 9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.251 5.375 9.711 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.285 5.863 12.206 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.906 6.341 11.742 1.00 0.00 H new ATOM 1061 N PRO A 72 6.430 10.106 9.829 1.00 0.00 N ATOM 1062 CA PRO A 72 5.051 10.582 9.647 1.00 0.00 C ATOM 1063 C PRO A 72 4.444 10.159 8.306 1.00 0.00 C ATOM 1064 O PRO A 72 3.686 10.905 7.689 1.00 0.00 O ATOM 1065 CB PRO A 72 5.197 12.103 9.714 1.00 0.00 C ATOM 1066 CG PRO A 72 6.590 12.373 9.264 1.00 0.00 C ATOM 1067 CD PRO A 72 7.412 11.204 9.729 1.00 0.00 C ATOM 0 HA PRO A 72 4.377 10.165 10.396 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.471 12.599 9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.030 12.472 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.636 12.475 8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.963 13.305 9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.208 10.967 9.022 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.888 11.405 10.689 1.00 0.00 H new ATOM 1075 N GLU A 73 4.773 8.953 7.870 1.00 0.00 N ATOM 1076 CA GLU A 73 4.251 8.411 6.624 1.00 0.00 C ATOM 1077 C GLU A 73 3.080 7.478 6.900 1.00 0.00 C ATOM 1078 O GLU A 73 2.105 7.450 6.151 1.00 0.00 O ATOM 1079 CB GLU A 73 5.344 7.646 5.883 1.00 0.00 C ATOM 1080 CG GLU A 73 6.545 8.493 5.513 1.00 0.00 C ATOM 1081 CD GLU A 73 7.724 7.655 5.070 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.809 7.324 3.869 1.00 0.00 O ATOM 1083 OE2 GLU A 73 8.569 7.320 5.927 1.00 0.00 O ATOM 0 H GLU A 73 5.406 8.325 8.366 1.00 0.00 H new ATOM 0 HA GLU A 73 3.909 9.241 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.676 6.814 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.921 7.217 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.270 9.180 4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.836 9.101 6.370 1.00 0.00 H new ATOM 1090 N GLY A 74 3.183 6.720 7.985 1.00 0.00 N ATOM 1091 CA GLY A 74 2.146 5.768 8.324 1.00 0.00 C ATOM 1092 C GLY A 74 2.212 4.525 7.461 1.00 0.00 C ATOM 1093 O GLY A 74 1.415 4.355 6.537 1.00 0.00 O ATOM 0 H GLY A 74 3.968 6.749 8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.241 5.487 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.170 6.239 8.208 1.00 0.00 H new ATOM 1097 N TRP A 75 3.175 3.662 7.746 1.00 0.00 N ATOM 1098 CA TRP A 75 3.322 2.413 7.015 1.00 0.00 C ATOM 1099 C TRP A 75 3.674 1.277 7.961 1.00 0.00 C ATOM 1100 O TRP A 75 4.157 1.508 9.071 1.00 0.00 O ATOM 1101 CB TRP A 75 4.376 2.534 5.903 1.00 0.00 C ATOM 1102 CG TRP A 75 5.678 3.146 6.335 1.00 0.00 C ATOM 1103 CD1 TRP A 75 6.073 4.434 6.129 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.759 2.502 7.024 1.00 0.00 C ATOM 1105 NE1 TRP A 75 7.327 4.637 6.649 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.770 3.466 7.205 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.969 1.207 7.509 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.971 3.174 7.848 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.161 0.920 8.147 1.00 0.00 C ATOM 1110 CH2 TRP A 75 9.148 1.899 8.312 1.00 0.00 C ATOM 0 H TRP A 75 3.868 3.804 8.481 1.00 0.00 H new ATOM 0 HA TRP A 75 2.365 2.190 6.544 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.573 1.541 5.499 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.961 3.132 5.091 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.483 5.188 5.628 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.844 5.516 6.625 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.213 0.445 7.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.735 3.927 7.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.334 -0.077 8.525 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.068 1.643 8.816 1.00 0.00 H new ATOM 1121 N GLY A 76 3.430 0.058 7.512 1.00 0.00 N ATOM 1122 CA GLY A 76 3.693 -1.106 8.320 1.00 0.00 C ATOM 1123 C GLY A 76 4.680 -2.047 7.666 1.00 0.00 C ATOM 1124 O GLY A 76 4.651 -2.253 6.449 1.00 0.00 O ATOM 0 H GLY A 76 3.049 -0.145 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.081 -0.793 9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.758 -1.635 8.506 1.00 0.00 H new ATOM 1128 N TRP A 77 5.551 -2.615 8.480 1.00 0.00 N ATOM 1129 CA TRP A 77 6.554 -3.554 8.014 1.00 0.00 C ATOM 1130 C TRP A 77 6.259 -4.937 8.571 1.00 0.00 C ATOM 1131 O TRP A 77 5.941 -5.084 9.753 1.00 0.00 O ATOM 1132 CB TRP A 77 7.952 -3.093 8.448 1.00 0.00 C ATOM 1133 CG TRP A 77 9.055 -4.041 8.071 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.627 -4.997 8.865 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.726 -4.119 6.808 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.607 -5.664 8.170 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.688 -5.142 6.907 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.607 -3.424 5.603 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.523 -5.485 5.849 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.437 -3.766 4.553 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.384 -4.788 4.682 1.00 0.00 C ATOM 0 H TRP A 77 5.583 -2.438 9.484 1.00 0.00 H new ATOM 0 HA TRP A 77 6.525 -3.596 6.925 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.156 -2.119 8.003 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.958 -2.957 9.529 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.349 -5.198 9.889 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.181 -6.424 8.536 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.879 -2.633 5.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.255 -6.273 5.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.353 -3.235 3.616 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.018 -5.031 3.842 1.00 0.00 H new ATOM 1152 N CYS A 78 6.347 -5.944 7.720 1.00 0.00 N ATOM 1153 CA CYS A 78 6.142 -7.315 8.153 1.00 0.00 C ATOM 1154 C CYS A 78 7.461 -8.072 8.058 1.00 0.00 C ATOM 1155 O CYS A 78 7.954 -8.313 6.964 1.00 0.00 O ATOM 1156 CB CYS A 78 5.070 -7.986 7.297 1.00 0.00 C ATOM 1157 SG CYS A 78 4.298 -9.443 8.072 1.00 0.00 S ATOM 0 H CYS A 78 6.558 -5.839 6.728 1.00 0.00 H new ATOM 0 HA CYS A 78 5.800 -7.324 9.188 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.294 -7.256 7.069 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.514 -8.286 6.348 1.00 0.00 H new ATOM 1162 N TYR A 79 8.017 -8.439 9.211 1.00 0.00 N ATOM 1163 CA TYR A 79 9.375 -8.988 9.297 1.00 0.00 C ATOM 1164 C TYR A 79 9.613 -10.173 8.359 1.00 0.00 C ATOM 1165 O TYR A 79 10.441 -10.087 7.455 1.00 0.00 O ATOM 1166 CB TYR A 79 9.693 -9.392 10.739 1.00 0.00 C ATOM 1167 CG TYR A 79 9.837 -8.211 11.673 1.00 0.00 C ATOM 1168 CD1 TYR A 79 10.985 -7.431 11.656 1.00 0.00 C ATOM 1169 CD2 TYR A 79 8.827 -7.874 12.565 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.122 -6.346 12.499 1.00 0.00 C ATOM 1171 CE2 TYR A 79 8.957 -6.792 13.412 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.105 -6.032 13.376 1.00 0.00 C ATOM 1173 OH TYR A 79 10.234 -4.944 14.210 1.00 0.00 O ATOM 0 H TYR A 79 7.543 -8.366 10.111 1.00 0.00 H new ATOM 0 HA TYR A 79 10.048 -8.193 8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.902 -10.045 11.109 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.616 -9.971 10.752 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.784 -7.677 10.972 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.926 -8.468 12.596 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.020 -5.747 12.472 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.162 -6.543 14.100 1.00 0.00 H new ATOM 0 HH TYR A 79 10.768 -5.193 14.993 1.00 0.00 H new ATOM 1183 N VAL A 80 8.888 -11.265 8.567 1.00 0.00 N ATOM 1184 CA VAL A 80 9.115 -12.491 7.797 1.00 0.00 C ATOM 1185 C VAL A 80 8.735 -12.326 6.323 1.00 0.00 C ATOM 1186 O VAL A 80 9.210 -13.067 5.463 1.00 0.00 O ATOM 1187 CB VAL A 80 8.352 -13.693 8.398 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.957 -14.091 9.734 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.872 -13.378 8.558 1.00 0.00 C ATOM 0 H VAL A 80 8.140 -11.331 9.258 1.00 0.00 H new ATOM 0 HA VAL A 80 10.185 -12.690 7.855 1.00 0.00 H new ATOM 0 HB VAL A 80 8.446 -14.531 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.408 -14.939 10.144 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.001 -14.369 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.896 -13.251 10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.360 -14.241 8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.752 -12.522 9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.442 -13.145 7.584 1.00 0.00 H new ATOM 1199 N ASP A 81 7.887 -11.349 6.038 1.00 0.00 N ATOM 1200 CA ASP A 81 7.448 -11.088 4.670 1.00 0.00 C ATOM 1201 C ASP A 81 8.449 -10.188 3.962 1.00 0.00 C ATOM 1202 O ASP A 81 8.706 -10.341 2.768 1.00 0.00 O ATOM 1203 CB ASP A 81 6.082 -10.397 4.651 1.00 0.00 C ATOM 1204 CG ASP A 81 4.983 -11.171 5.350 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.201 -11.651 6.476 1.00 0.00 O ATOM 1206 OD2 ASP A 81 3.863 -11.237 4.810 1.00 0.00 O ATOM 0 H ASP A 81 7.487 -10.721 6.735 1.00 0.00 H new ATOM 0 HA ASP A 81 7.374 -12.048 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.176 -9.418 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.788 -10.227 3.615 1.00 0.00 H new ATOM 1211 N GLU A 82 8.984 -9.233 4.722 1.00 0.00 N ATOM 1212 CA GLU A 82 9.908 -8.220 4.214 1.00 0.00 C ATOM 1213 C GLU A 82 9.200 -7.289 3.236 1.00 0.00 C ATOM 1214 O GLU A 82 9.832 -6.617 2.419 1.00 0.00 O ATOM 1215 CB GLU A 82 11.142 -8.860 3.575 1.00 0.00 C ATOM 1216 CG GLU A 82 11.945 -9.699 4.552 1.00 0.00 C ATOM 1217 CD GLU A 82 13.254 -10.182 3.973 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.235 -11.126 3.154 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.310 -9.636 4.356 1.00 0.00 O ATOM 0 H GLU A 82 8.786 -9.140 5.718 1.00 0.00 H new ATOM 0 HA GLU A 82 10.252 -7.625 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.829 -9.485 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.781 -8.077 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.144 -9.112 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.350 -10.559 4.859 1.00 0.00 H new ATOM 1226 N VAL A 83 7.881 -7.235 3.354 1.00 0.00 N ATOM 1227 CA VAL A 83 7.078 -6.345 2.535 1.00 0.00 C ATOM 1228 C VAL A 83 6.593 -5.166 3.366 1.00 0.00 C ATOM 1229 O VAL A 83 6.210 -5.322 4.532 1.00 0.00 O ATOM 1230 CB VAL A 83 5.865 -7.064 1.893 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.328 -8.210 1.006 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.893 -7.570 2.950 1.00 0.00 C ATOM 0 H VAL A 83 7.345 -7.800 4.012 1.00 0.00 H new ATOM 0 HA VAL A 83 7.717 -5.993 1.725 1.00 0.00 H new ATOM 0 HB VAL A 83 5.339 -6.335 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.461 -8.702 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.967 -7.821 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.888 -8.929 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.054 -8.069 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.404 -8.275 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.524 -6.729 3.537 1.00 0.00 H new ATOM 1242 N MET A 84 6.650 -3.987 2.775 1.00 0.00 N ATOM 1243 CA MET A 84 6.179 -2.781 3.430 1.00 0.00 C ATOM 1244 C MET A 84 4.876 -2.324 2.793 1.00 0.00 C ATOM 1245 O MET A 84 4.775 -2.224 1.570 1.00 0.00 O ATOM 1246 CB MET A 84 7.233 -1.675 3.335 1.00 0.00 C ATOM 1247 CG MET A 84 6.865 -0.413 4.097 1.00 0.00 C ATOM 1248 SD MET A 84 8.074 0.909 3.882 1.00 0.00 S ATOM 1249 CE MET A 84 9.542 0.144 4.566 1.00 0.00 C ATOM 0 H MET A 84 7.020 -3.839 1.836 1.00 0.00 H new ATOM 0 HA MET A 84 6.002 -2.998 4.484 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.181 -2.055 3.716 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.389 -1.423 2.286 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.888 -0.064 3.763 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.774 -0.648 5.158 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.271 0.915 4.817 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.277 -0.412 5.465 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.973 -0.537 3.832 1.00 0.00 H new ATOM 1259 N PHE A 85 3.880 -2.070 3.619 1.00 0.00 N ATOM 1260 CA PHE A 85 2.582 -1.615 3.144 1.00 0.00 C ATOM 1261 C PHE A 85 2.161 -0.382 3.923 1.00 0.00 C ATOM 1262 O PHE A 85 2.559 -0.214 5.069 1.00 0.00 O ATOM 1263 CB PHE A 85 1.535 -2.730 3.280 1.00 0.00 C ATOM 1264 CG PHE A 85 1.491 -3.378 4.639 1.00 0.00 C ATOM 1265 CD1 PHE A 85 2.298 -4.470 4.927 1.00 0.00 C ATOM 1266 CD2 PHE A 85 0.644 -2.900 5.626 1.00 0.00 C ATOM 1267 CE1 PHE A 85 2.259 -5.070 6.171 1.00 0.00 C ATOM 1268 CE2 PHE A 85 0.601 -3.497 6.872 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.411 -4.582 7.145 1.00 0.00 C ATOM 0 H PHE A 85 3.943 -2.171 4.632 1.00 0.00 H new ATOM 0 HA PHE A 85 2.658 -1.357 2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.551 -2.318 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.738 -3.496 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.964 -4.855 4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.010 -2.051 5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.891 -5.920 6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.065 -3.115 7.631 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.381 -5.048 8.119 1.00 0.00 H new ATOM 1279 N ASP A 86 1.378 0.486 3.307 1.00 0.00 N ATOM 1280 CA ASP A 86 0.972 1.719 3.967 1.00 0.00 C ATOM 1281 C ASP A 86 -0.205 1.467 4.897 1.00 0.00 C ATOM 1282 O ASP A 86 -1.084 0.654 4.607 1.00 0.00 O ATOM 1283 CB ASP A 86 0.624 2.806 2.947 1.00 0.00 C ATOM 1284 CG ASP A 86 -0.542 2.436 2.056 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -0.327 1.712 1.063 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -1.671 2.893 2.329 1.00 0.00 O ATOM 0 H ASP A 86 1.013 0.365 2.362 1.00 0.00 H new ATOM 0 HA ASP A 86 1.815 2.072 4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.390 3.730 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.498 3.006 2.327 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.207 2.161 6.020 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.236 1.991 7.031 1.00 0.00 C ATOM 1293 C LEU A 87 -1.869 3.325 7.380 1.00 0.00 C ATOM 1294 O LEU A 87 -2.435 3.475 8.448 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.644 1.364 8.296 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.388 -0.142 8.230 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.350 -0.607 9.475 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.700 -0.895 8.088 1.00 0.00 C ATOM 0 H LEU A 87 0.501 2.856 6.257 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.001 1.329 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.298 1.865 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.319 1.563 9.129 1.00 0.00 H new ATOM 0 HG LEU A 87 0.231 -0.350 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.525 -1.681 9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.305 -0.087 9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.251 -0.387 10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.502 -1.966 8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.337 -0.680 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.203 -0.580 7.174 1.00 0.00 H new ATOM 1310 N SER A 88 -1.797 4.276 6.458 1.00 0.00 N ATOM 1311 CA SER A 88 -2.288 5.633 6.692 1.00 0.00 C ATOM 1312 C SER A 88 -3.748 5.643 7.162 1.00 0.00 C ATOM 1313 O SER A 88 -4.158 6.518 7.925 1.00 0.00 O ATOM 1314 CB SER A 88 -2.154 6.453 5.410 1.00 0.00 C ATOM 1315 OG SER A 88 -0.870 6.287 4.831 1.00 0.00 O ATOM 0 H SER A 88 -1.399 4.132 5.530 1.00 0.00 H new ATOM 0 HA SER A 88 -1.683 6.074 7.485 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.920 6.148 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.324 7.507 5.629 1.00 0.00 H new ATOM 0 HG SER A 88 -0.809 6.820 4.011 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.524 4.663 6.713 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.942 4.586 7.056 1.00 0.00 C ATOM 1323 C ASP A 89 -6.158 3.963 8.433 1.00 0.00 C ATOM 1324 O ASP A 89 -7.200 4.155 9.056 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.702 3.786 5.996 1.00 0.00 C ATOM 1326 CG ASP A 89 -6.291 2.326 5.927 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -5.168 2.036 5.459 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -7.096 1.459 6.318 1.00 0.00 O ATOM 0 H ASP A 89 -4.196 3.909 6.110 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.328 5.605 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.770 3.845 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.542 4.246 5.021 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.169 3.224 8.907 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.255 2.569 10.213 1.00 0.00 C ATOM 1335 C ARG A 90 -4.169 3.078 11.155 1.00 0.00 C ATOM 1336 O ARG A 90 -3.948 2.497 12.217 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.089 1.051 10.076 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.089 0.371 9.158 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.882 -1.136 9.170 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.735 -1.833 8.209 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.431 -2.935 8.493 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.426 -3.427 9.727 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.132 -3.542 7.543 1.00 0.00 N ATOM 0 H ARG A 90 -4.294 3.059 8.410 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.239 2.803 10.620 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.084 0.843 9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.166 0.602 11.066 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.104 0.607 9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.977 0.752 8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.838 -1.356 8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.083 -1.518 10.171 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.802 -1.454 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.889 -2.962 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.959 -4.270 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.139 -3.166 6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.664 -4.385 7.761 1.00 0.00 H new ATOM 1357 N MET A 91 -3.507 4.160 10.767 1.00 0.00 N ATOM 1358 CA MET A 91 -2.286 4.602 11.441 1.00 0.00 C ATOM 1359 C MET A 91 -2.543 5.032 12.878 1.00 0.00 C ATOM 1360 O MET A 91 -3.578 5.627 13.193 1.00 0.00 O ATOM 1361 CB MET A 91 -1.614 5.739 10.663 1.00 0.00 C ATOM 1362 CG MET A 91 -2.416 7.031 10.620 1.00 0.00 C ATOM 1363 SD MET A 91 -1.597 8.322 9.660 1.00 0.00 S ATOM 1364 CE MET A 91 -0.035 8.453 10.529 1.00 0.00 C ATOM 0 H MET A 91 -3.793 4.752 9.987 1.00 0.00 H new ATOM 0 HA MET A 91 -1.615 3.744 11.469 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.642 5.944 11.111 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.431 5.405 9.642 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.398 6.831 10.191 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.579 7.387 11.637 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.289 9.494 10.540 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.158 8.100 11.553 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.715 7.845 10.023 1.00 0.00 H new ATOM 1374 N THR A 92 -1.592 4.714 13.744 1.00 0.00 N ATOM 1375 CA THR A 92 -1.672 5.088 15.144 1.00 0.00 C ATOM 1376 C THR A 92 -1.151 6.510 15.346 1.00 0.00 C ATOM 1377 O THR A 92 -0.002 6.810 15.016 1.00 0.00 O ATOM 1378 CB THR A 92 -0.852 4.122 16.023 1.00 0.00 C ATOM 1379 OG1 THR A 92 -1.057 2.772 15.589 1.00 0.00 O ATOM 1380 CG2 THR A 92 -1.247 4.251 17.488 1.00 0.00 C ATOM 0 H THR A 92 -0.750 4.194 13.497 1.00 0.00 H new ATOM 0 HA THR A 92 -2.720 5.035 15.440 1.00 0.00 H new ATOM 0 HB THR A 92 0.202 4.383 15.922 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.403 2.549 14.894 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.654 3.559 18.087 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.065 5.271 17.825 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.305 4.015 17.602 1.00 0.00 H new ATOM 1388 N PRO A 93 -1.996 7.411 15.865 1.00 0.00 N ATOM 1389 CA PRO A 93 -1.586 8.780 16.179 1.00 0.00 C ATOM 1390 C PRO A 93 -0.522 8.807 17.274 1.00 0.00 C ATOM 1391 O PRO A 93 -0.643 8.105 18.281 1.00 0.00 O ATOM 1392 CB PRO A 93 -2.878 9.446 16.666 1.00 0.00 C ATOM 1393 CG PRO A 93 -3.763 8.320 17.081 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.413 7.169 16.182 1.00 0.00 C ATOM 0 HA PRO A 93 -1.141 9.285 15.322 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.683 10.122 17.499 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.338 10.038 15.875 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.601 8.061 18.128 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.814 8.591 16.978 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.556 6.210 16.680 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.031 7.157 15.284 1.00 0.00 H new ATOM 1402 N HIS A 94 0.521 9.604 17.076 1.00 0.00 N ATOM 1403 CA HIS A 94 1.590 9.690 18.061 1.00 0.00 C ATOM 1404 C HIS A 94 1.115 10.459 19.288 1.00 0.00 C ATOM 1405 O HIS A 94 0.632 11.587 19.184 1.00 0.00 O ATOM 1406 CB HIS A 94 2.881 10.296 17.472 1.00 0.00 C ATOM 1407 CG HIS A 94 2.730 11.637 16.814 1.00 0.00 C ATOM 1408 ND1 HIS A 94 3.161 12.813 17.390 1.00 0.00 N ATOM 1409 CD2 HIS A 94 2.230 11.978 15.602 1.00 0.00 C ATOM 1410 CE1 HIS A 94 2.932 13.815 16.561 1.00 0.00 C ATOM 1411 NE2 HIS A 94 2.368 13.335 15.471 1.00 0.00 N ATOM 0 H HIS A 94 0.648 10.193 16.253 1.00 0.00 H new ATOM 0 HA HIS A 94 1.843 8.675 18.367 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.616 10.385 18.272 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.288 9.597 16.741 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.590 12.896 18.312 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.802 11.305 14.874 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.167 14.853 16.745 1.00 0.00 H new ATOM 1420 N ASN A 95 1.248 9.825 20.445 1.00 0.00 N ATOM 1421 CA ASN A 95 0.697 10.348 21.695 1.00 0.00 C ATOM 1422 C ASN A 95 1.664 11.312 22.378 1.00 0.00 C ATOM 1423 O ASN A 95 1.494 11.660 23.550 1.00 0.00 O ATOM 1424 CB ASN A 95 0.353 9.192 22.643 1.00 0.00 C ATOM 1425 CG ASN A 95 1.572 8.404 23.094 1.00 0.00 C ATOM 1426 OD1 ASN A 95 2.570 8.310 22.382 1.00 0.00 O ATOM 1427 ND2 ASN A 95 1.494 7.823 24.280 1.00 0.00 N ATOM 0 H ASN A 95 1.738 8.937 20.547 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.210 10.902 21.452 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.159 9.589 23.519 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.344 8.518 22.145 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.279 7.275 24.632 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.649 7.924 24.843 1.00 0.00 H new ATOM 1434 N GLY A 96 2.672 11.743 21.641 1.00 0.00 N ATOM 1435 CA GLY A 96 3.621 12.695 22.167 1.00 0.00 C ATOM 1436 C GLY A 96 4.471 13.302 21.075 1.00 0.00 C ATOM 1437 O GLY A 96 4.444 12.828 19.934 1.00 0.00 O ATOM 0 H GLY A 96 2.850 11.448 20.681 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.088 13.486 22.695 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.264 12.202 22.896 1.00 0.00 H new ATOM 1441 N PRO A 97 5.220 14.368 21.386 1.00 0.00 N ATOM 1442 CA PRO A 97 6.148 14.985 20.450 1.00 0.00 C ATOM 1443 C PRO A 97 7.449 14.197 20.369 1.00 0.00 C ATOM 1444 O PRO A 97 8.361 14.394 21.175 1.00 0.00 O ATOM 1445 CB PRO A 97 6.393 16.386 21.035 1.00 0.00 C ATOM 1446 CG PRO A 97 5.548 16.476 22.270 1.00 0.00 C ATOM 1447 CD PRO A 97 5.224 15.066 22.672 1.00 0.00 C ATOM 0 HA PRO A 97 5.755 15.017 19.434 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.447 16.530 21.273 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.119 17.161 20.319 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.081 16.993 23.067 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.637 17.043 22.076 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.969 14.656 23.355 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.259 14.998 23.175 1.00 0.00 H new ATOM 1455 N ILE A 98 7.515 13.283 19.413 1.00 0.00 N ATOM 1456 CA ILE A 98 8.660 12.396 19.284 1.00 0.00 C ATOM 1457 C ILE A 98 9.853 13.128 18.680 1.00 0.00 C ATOM 1458 O ILE A 98 9.782 13.623 17.556 1.00 0.00 O ATOM 1459 CB ILE A 98 8.323 11.163 18.423 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.112 10.430 19.009 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.524 10.230 18.339 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.731 9.179 18.249 1.00 0.00 C ATOM 0 H ILE A 98 6.787 13.136 18.714 1.00 0.00 H new ATOM 0 HA ILE A 98 8.919 12.060 20.288 1.00 0.00 H new ATOM 0 HB ILE A 98 8.076 11.494 17.414 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.326 10.164 20.044 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.260 11.109 19.023 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.270 9.364 17.728 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.364 10.758 17.889 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.798 9.899 19.341 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.866 8.715 18.723 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.485 9.439 17.220 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.567 8.480 18.256 1.00 0.00 H new ATOM 1474 N PRO A 99 10.955 13.222 19.437 1.00 0.00 N ATOM 1475 CA PRO A 99 12.177 13.887 18.984 1.00 0.00 C ATOM 1476 C PRO A 99 12.893 13.116 17.878 1.00 0.00 C ATOM 1477 O PRO A 99 13.519 12.083 18.128 1.00 0.00 O ATOM 1478 CB PRO A 99 13.060 13.944 20.239 1.00 0.00 C ATOM 1479 CG PRO A 99 12.172 13.572 21.379 1.00 0.00 C ATOM 1480 CD PRO A 99 11.094 12.704 20.804 1.00 0.00 C ATOM 0 HA PRO A 99 11.956 14.865 18.557 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.901 13.255 20.157 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.478 14.941 20.378 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.730 13.040 22.150 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.748 14.460 21.848 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.376 11.651 20.811 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.164 12.789 21.365 1.00 0.00 H new ATOM 1488 N ARG A 100 12.779 13.609 16.655 1.00 0.00 N ATOM 1489 CA ARG A 100 13.540 13.068 15.542 1.00 0.00 C ATOM 1490 C ARG A 100 14.955 13.638 15.571 1.00 0.00 C ATOM 1491 O ARG A 100 15.148 14.850 15.481 1.00 0.00 O ATOM 1492 CB ARG A 100 12.850 13.391 14.210 1.00 0.00 C ATOM 1493 CG ARG A 100 13.724 13.141 12.990 1.00 0.00 C ATOM 1494 CD ARG A 100 14.162 11.687 12.886 1.00 0.00 C ATOM 1495 NE ARG A 100 13.146 10.834 12.281 1.00 0.00 N ATOM 1496 CZ ARG A 100 13.054 10.618 10.969 1.00 0.00 C ATOM 1497 NH1 ARG A 100 13.880 11.237 10.130 1.00 0.00 N ATOM 1498 NH2 ARG A 100 12.153 9.770 10.501 1.00 0.00 N ATOM 0 H ARG A 100 12.165 14.385 16.408 1.00 0.00 H new ATOM 0 HA ARG A 100 13.592 11.983 15.636 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.944 12.791 14.126 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.540 14.436 14.216 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.176 13.419 12.090 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.605 13.782 13.038 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.077 11.629 12.296 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.400 11.312 13.881 1.00 0.00 H new ATOM 0 HE ARG A 100 12.470 10.379 12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.586 11.879 10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.807 11.070 9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.529 9.282 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.082 9.604 9.497 1.00 0.00 H new ATOM 1512 N TYR A 101 15.938 12.763 15.720 1.00 0.00 N ATOM 1513 CA TYR A 101 17.325 13.192 15.827 1.00 0.00 C ATOM 1514 C TYR A 101 18.011 13.213 14.463 1.00 0.00 C ATOM 1515 O TYR A 101 18.921 14.010 14.233 1.00 0.00 O ATOM 1516 CB TYR A 101 18.090 12.279 16.788 1.00 0.00 C ATOM 1517 CG TYR A 101 17.510 12.255 18.185 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.663 13.340 19.039 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.809 11.149 18.648 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.135 13.323 20.316 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.278 11.125 19.924 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.442 12.214 20.753 1.00 0.00 C ATOM 1523 OH TYR A 101 15.913 12.193 22.024 1.00 0.00 O ATOM 0 H TYR A 101 15.802 11.753 15.770 1.00 0.00 H new ATOM 0 HA TYR A 101 17.329 14.209 16.220 1.00 0.00 H new ATOM 0 HB2 TYR A 101 18.095 11.265 16.387 1.00 0.00 H new ATOM 0 HB3 TYR A 101 19.128 12.607 16.839 1.00 0.00 H new ATOM 0 HD1 TYR A 101 18.203 14.211 18.699 1.00 0.00 H new ATOM 0 HD2 TYR A 101 16.677 10.294 18.001 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.265 14.174 20.968 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.737 10.257 20.270 1.00 0.00 H new ATOM 0 HH TYR A 101 15.455 11.340 22.174 1.00 0.00 H new ATOM 1533 N VAL A 102 17.576 12.344 13.560 1.00 0.00 N ATOM 1534 CA VAL A 102 18.175 12.266 12.234 1.00 0.00 C ATOM 1535 C VAL A 102 17.369 13.068 11.210 1.00 0.00 C ATOM 1536 O VAL A 102 17.815 14.179 10.850 1.00 0.00 O ATOM 1537 CB VAL A 102 18.352 10.802 11.760 1.00 0.00 C ATOM 1538 CG1 VAL A 102 19.495 10.141 12.514 1.00 0.00 C ATOM 1539 CG2 VAL A 102 17.072 9.997 11.943 1.00 0.00 C ATOM 1540 OXT VAL A 102 16.290 12.604 10.781 1.00 0.00 O ATOM 0 H VAL A 102 16.814 11.686 13.720 1.00 0.00 H new ATOM 0 HA VAL A 102 19.168 12.709 12.313 1.00 0.00 H new ATOM 0 HB VAL A 102 18.586 10.823 10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 102 19.610 9.112 12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 102 20.418 10.690 12.329 1.00 0.00 H new ATOM 0 HG13 VAL A 102 19.277 10.146 13.582 1.00 0.00 H new ATOM 0 HG21 VAL A 102 17.233 8.975 11.600 1.00 0.00 H new ATOM 0 HG22 VAL A 102 16.796 9.987 12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.270 10.452 11.363 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.051 -10.842 6.642 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 4.767 -6.744 20.131 1.00 0.00 ZN