USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 971 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: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: B 236 SER OG : rot -120:sc= -0.886 USER MOD Set 1.2: B 238 HIS : no HD1:sc= -0.901 K(o=-1.8,f=-0.048) USER MOD Set 2.1: B 214 SER OG : rot 180:sc= -0.0662 USER MOD Set 2.2: B 215 HIS : no HD1:sc= 0 X(o=-0.066,f=-0.066) USER MOD Set 3.1: A 7 THR OG1 : rot 121:sc= 0.893 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.995 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.26 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.23) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0931) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -94:sc= 1.53 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 25 ASN : amide:sc= -0.0986 K(o=-0.099,f=-0.99) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= -0.107 (180deg=-0.107) USER MOD Single : A 31 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0197 (180deg=-0.312) USER MOD Single : A 40 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -3.31 K(o=-3.3,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.02) USER MOD Single : A 49 GLN : amide:sc= -0.0107 K(o=-0.011,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0764 USER MOD Single : A 57 SER OG : rot 79:sc= -0.012 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.39 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= -0.644 (180deg=-1.53) USER MOD Single : A 65 SER OG : rot 97:sc= 0.339 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.17) USER MOD Single : B 198 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 200 THR OG1 : rot 170:sc= 0.629 USER MOD Single : B 201 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD Single : B 210 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.6!) USER MOD Single : B 217 ASN : amide:sc= -1.05 K(o=-1,f=-6.6!) USER MOD Single : B 218 LYS NZ :NH3+ -163:sc= -0.0286 (180deg=-0.336) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot 94:sc= 1.36 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 LYS NZ :NH3+ -135:sc= -0.0774 (180deg=-0.191) USER MOD Single : B 232 SER OG : rot 41:sc= 1.13 USER MOD Single : B 235 SER OG : rot 180:sc= 0 USER MOD Single : B 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.656 16.427 10.228 1.00 0.00 N ATOM 2 CA MET A 1 96.803 15.069 10.819 1.00 0.00 C ATOM 3 C MET A 1 98.053 14.407 10.262 1.00 0.00 C ATOM 4 O MET A 1 98.091 14.008 9.093 1.00 0.00 O ATOM 5 CB MET A 1 95.572 14.211 10.490 1.00 0.00 C ATOM 6 CG MET A 1 95.724 12.783 11.056 1.00 0.00 C ATOM 7 SD MET A 1 94.112 12.166 11.606 1.00 0.00 S ATOM 8 CE MET A 1 93.676 11.285 10.091 1.00 0.00 C ATOM 0 H1 MET A 1 95.810 16.887 10.621 1.00 0.00 H new ATOM 0 H2 MET A 1 97.497 16.996 10.453 1.00 0.00 H new ATOM 0 H3 MET A 1 96.558 16.348 9.196 1.00 0.00 H new ATOM 0 HA MET A 1 96.889 15.159 11.902 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.678 14.677 10.905 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.435 14.165 9.410 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.136 12.122 10.294 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.426 12.785 11.889 1.00 0.00 H new ATOM 0 HE1 MET A 1 92.698 10.819 10.210 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.644 11.987 9.258 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.422 10.517 9.889 1.00 0.00 H new ATOM 20 N GLN A 2 99.050 14.273 11.121 1.00 0.00 N ATOM 21 CA GLN A 2 100.303 13.632 10.737 1.00 0.00 C ATOM 22 C GLN A 2 100.168 12.134 10.921 1.00 0.00 C ATOM 23 O GLN A 2 99.875 11.660 12.019 1.00 0.00 O ATOM 24 CB GLN A 2 101.470 14.156 11.572 1.00 0.00 C ATOM 25 CG GLN A 2 102.794 13.607 11.026 1.00 0.00 C ATOM 26 CD GLN A 2 103.962 14.148 11.845 1.00 0.00 C ATOM 27 OE1 GLN A 2 104.153 15.361 11.931 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.749 13.315 12.466 1.00 0.00 N ATOM 0 H GLN A 2 99.019 14.598 12.087 1.00 0.00 H new ATOM 0 HA GLN A 2 100.510 13.863 9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.482 15.246 11.551 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.345 13.859 12.613 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.788 12.518 11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.911 13.890 9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.588 12.310 12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.526 13.668 13.025 1.00 0.00 H new ATOM 37 N ILE A 3 100.383 11.405 9.836 1.00 0.00 N ATOM 38 CA ILE A 3 100.292 9.953 9.852 1.00 0.00 C ATOM 39 C ILE A 3 101.588 9.363 9.332 1.00 0.00 C ATOM 40 O ILE A 3 102.370 10.057 8.679 1.00 0.00 O ATOM 41 CB ILE A 3 99.099 9.477 8.999 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.257 9.969 7.545 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.797 10.025 9.603 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.240 9.269 6.635 1.00 0.00 C ATOM 0 H ILE A 3 100.624 11.799 8.927 1.00 0.00 H new ATOM 0 HA ILE A 3 100.130 9.615 10.875 1.00 0.00 H new ATOM 0 HB ILE A 3 99.067 8.387 8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.113 11.048 7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.269 9.768 7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.950 9.692 9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.687 9.658 10.623 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.830 11.114 9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.362 9.625 5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.404 8.192 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.230 9.492 6.979 1.00 0.00 H new ATOM 56 N PHE A 4 101.814 8.093 9.634 1.00 0.00 N ATOM 57 CA PHE A 4 103.033 7.416 9.201 1.00 0.00 C ATOM 58 C PHE A 4 102.673 6.276 8.263 1.00 0.00 C ATOM 59 O PHE A 4 101.664 5.598 8.462 1.00 0.00 O ATOM 60 CB PHE A 4 103.789 6.854 10.412 1.00 0.00 C ATOM 61 CG PHE A 4 104.109 7.966 11.388 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.282 8.178 12.499 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.226 8.783 11.181 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.571 9.206 13.401 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.514 9.813 12.083 1.00 0.00 C ATOM 66 CZ PHE A 4 104.688 10.022 13.195 1.00 0.00 C ATOM 0 H PHE A 4 101.174 7.511 10.174 1.00 0.00 H new ATOM 0 HA PHE A 4 103.670 8.134 8.685 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.187 6.090 10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.710 6.372 10.084 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.420 7.547 12.659 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.865 8.619 10.326 1.00 0.00 H new ATOM 0 HE1 PHE A 4 102.932 9.370 14.256 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.373 10.447 11.922 1.00 0.00 H new ATOM 0 HZ PHE A 4 104.914 10.814 13.894 1.00 0.00 H new ATOM 76 N VAL A 5 103.505 6.066 7.247 1.00 0.00 N ATOM 77 CA VAL A 5 103.279 4.989 6.287 1.00 0.00 C ATOM 78 C VAL A 5 104.508 4.088 6.287 1.00 0.00 C ATOM 79 O VAL A 5 105.643 4.574 6.290 1.00 0.00 O ATOM 80 CB VAL A 5 102.996 5.555 4.880 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.713 4.411 3.896 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.775 6.482 4.931 1.00 0.00 C ATOM 0 H VAL A 5 104.339 6.625 7.067 1.00 0.00 H new ATOM 0 HA VAL A 5 102.401 4.410 6.574 1.00 0.00 H new ATOM 0 HB VAL A 5 103.871 6.112 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.515 4.823 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.579 3.750 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.844 3.846 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.578 6.880 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.906 5.921 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.971 7.305 5.618 1.00 0.00 H new ATOM 92 N LYS A 6 104.269 2.778 6.303 1.00 0.00 N ATOM 93 CA LYS A 6 105.357 1.807 6.322 1.00 0.00 C ATOM 94 C LYS A 6 105.262 0.867 5.130 1.00 0.00 C ATOM 95 O LYS A 6 104.266 0.161 4.960 1.00 0.00 O ATOM 96 CB LYS A 6 105.301 0.991 7.616 1.00 0.00 C ATOM 97 CG LYS A 6 106.569 0.143 7.744 1.00 0.00 C ATOM 98 CD LYS A 6 106.527 -0.646 9.050 1.00 0.00 C ATOM 99 CE LYS A 6 107.803 -1.475 9.177 1.00 0.00 C ATOM 100 NZ LYS A 6 107.778 -2.227 10.461 1.00 0.00 N ATOM 0 H LYS A 6 103.335 2.368 6.303 1.00 0.00 H new ATOM 0 HA LYS A 6 106.301 2.349 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.209 1.657 8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.420 0.349 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.650 -0.539 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.451 0.783 7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.435 0.034 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.653 -1.297 9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.885 -2.167 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.677 -0.825 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.646 -2.792 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.719 -1.557 11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 106.951 -2.858 10.478 1.00 0.00 H new ATOM 114 N THR A 7 106.305 0.886 4.306 1.00 0.00 N ATOM 115 CA THR A 7 106.346 0.049 3.115 1.00 0.00 C ATOM 116 C THR A 7 106.728 -1.375 3.498 1.00 0.00 C ATOM 117 O THR A 7 107.273 -1.612 4.579 1.00 0.00 O ATOM 118 CB THR A 7 107.378 0.599 2.116 1.00 0.00 C ATOM 119 OG1 THR A 7 108.667 0.571 2.712 1.00 0.00 O ATOM 120 CG2 THR A 7 107.028 2.041 1.730 1.00 0.00 C ATOM 0 H THR A 7 107.130 1.470 4.442 1.00 0.00 H new ATOM 0 HA THR A 7 105.359 0.052 2.652 1.00 0.00 H new ATOM 0 HB THR A 7 107.369 -0.019 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.267 0.019 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.767 2.418 1.023 1.00 0.00 H new ATOM 0 HG22 THR A 7 106.040 2.065 1.270 1.00 0.00 H new ATOM 0 HG23 THR A 7 107.028 2.667 2.622 1.00 0.00 H new ATOM 128 N LEU A 8 106.430 -2.314 2.605 1.00 0.00 N ATOM 129 CA LEU A 8 106.730 -3.725 2.838 1.00 0.00 C ATOM 130 C LEU A 8 108.237 -3.967 2.931 1.00 0.00 C ATOM 131 O LEU A 8 108.677 -4.947 3.537 1.00 0.00 O ATOM 132 CB LEU A 8 106.156 -4.570 1.698 1.00 0.00 C ATOM 133 CG LEU A 8 104.625 -4.453 1.672 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.089 -5.055 0.370 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.024 -5.207 2.866 1.00 0.00 C ATOM 0 H LEU A 8 105.979 -2.123 1.710 1.00 0.00 H new ATOM 0 HA LEU A 8 106.275 -4.012 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.570 -4.239 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.446 -5.613 1.826 1.00 0.00 H new ATOM 0 HG LEU A 8 104.345 -3.401 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.002 -4.972 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.509 -4.517 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.374 -6.105 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 8 102.938 -5.120 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.305 -6.259 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.402 -4.778 3.794 1.00 0.00 H new ATOM 147 N THR A 9 109.015 -3.068 2.328 1.00 0.00 N ATOM 148 CA THR A 9 110.472 -3.176 2.338 1.00 0.00 C ATOM 149 C THR A 9 111.052 -2.783 3.702 1.00 0.00 C ATOM 150 O THR A 9 112.187 -3.146 4.023 1.00 0.00 O ATOM 151 CB THR A 9 111.056 -2.284 1.239 1.00 0.00 C ATOM 152 OG1 THR A 9 110.573 -0.957 1.405 1.00 0.00 O ATOM 153 CG2 THR A 9 110.636 -2.816 -0.135 1.00 0.00 C ATOM 0 H THR A 9 108.658 -2.255 1.825 1.00 0.00 H new ATOM 0 HA THR A 9 110.742 -4.215 2.150 1.00 0.00 H new ATOM 0 HB THR A 9 112.144 -2.288 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.946 -0.383 0.704 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.053 -2.179 -0.915 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.007 -3.833 -0.260 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.548 -2.815 -0.209 1.00 0.00 H new ATOM 161 N GLY A 10 110.266 -2.052 4.507 1.00 0.00 N ATOM 162 CA GLY A 10 110.710 -1.628 5.839 1.00 0.00 C ATOM 163 C GLY A 10 110.906 -0.111 5.932 1.00 0.00 C ATOM 164 O GLY A 10 111.049 0.424 7.036 1.00 0.00 O ATOM 0 H GLY A 10 109.326 -1.745 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.977 -1.943 6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.647 -2.129 6.084 1.00 0.00 H new ATOM 168 N LYS A 11 110.908 0.576 4.784 1.00 0.00 N ATOM 169 CA LYS A 11 111.084 2.026 4.766 1.00 0.00 C ATOM 170 C LYS A 11 109.928 2.698 5.498 1.00 0.00 C ATOM 171 O LYS A 11 108.818 2.162 5.545 1.00 0.00 O ATOM 172 CB LYS A 11 111.157 2.539 3.325 1.00 0.00 C ATOM 173 CG LYS A 11 111.561 4.017 3.327 1.00 0.00 C ATOM 174 CD LYS A 11 111.717 4.500 1.890 1.00 0.00 C ATOM 175 CE LYS A 11 112.134 5.974 1.887 1.00 0.00 C ATOM 176 NZ LYS A 11 113.570 6.082 2.267 1.00 0.00 N ATOM 0 H LYS A 11 110.790 0.152 3.864 1.00 0.00 H new ATOM 0 HA LYS A 11 112.019 2.270 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.880 1.954 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 11 110.191 2.416 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.806 4.611 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.497 4.149 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.465 3.899 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.778 4.376 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.974 6.407 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.518 6.539 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 113.905 7.050 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.679 5.860 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 114.130 5.412 1.702 1.00 0.00 H new ATOM 190 N THR A 12 110.205 3.870 6.071 1.00 0.00 N ATOM 191 CA THR A 12 109.189 4.618 6.809 1.00 0.00 C ATOM 192 C THR A 12 109.139 6.069 6.337 1.00 0.00 C ATOM 193 O THR A 12 110.167 6.746 6.259 1.00 0.00 O ATOM 194 CB THR A 12 109.486 4.575 8.312 1.00 0.00 C ATOM 195 OG1 THR A 12 109.679 3.226 8.715 1.00 0.00 O ATOM 196 CG2 THR A 12 108.304 5.167 9.088 1.00 0.00 C ATOM 0 H THR A 12 111.120 4.319 6.038 1.00 0.00 H new ATOM 0 HA THR A 12 108.221 4.154 6.621 1.00 0.00 H new ATOM 0 HB THR A 12 110.385 5.155 8.519 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.871 3.196 9.676 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.518 5.135 10.156 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.148 6.201 8.780 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.405 4.587 8.880 1.00 0.00 H new ATOM 204 N ILE A 13 107.930 6.527 6.034 1.00 0.00 N ATOM 205 CA ILE A 13 107.705 7.895 5.574 1.00 0.00 C ATOM 206 C ILE A 13 106.566 8.530 6.373 1.00 0.00 C ATOM 207 O ILE A 13 105.495 7.936 6.515 1.00 0.00 O ATOM 208 CB ILE A 13 107.364 7.895 4.062 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.079 9.339 3.575 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.139 7.001 3.798 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.867 9.366 2.055 1.00 0.00 C ATOM 0 H ILE A 13 107.081 5.965 6.099 1.00 0.00 H new ATOM 0 HA ILE A 13 108.613 8.479 5.729 1.00 0.00 H new ATOM 0 HB ILE A 13 108.218 7.501 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.194 9.730 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.911 9.990 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.907 7.007 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.357 5.982 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.284 7.380 4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.668 10.388 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.763 8.996 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.019 8.733 1.795 1.00 0.00 H new ATOM 223 N THR A 14 106.799 9.749 6.851 1.00 0.00 N ATOM 224 CA THR A 14 105.773 10.476 7.591 1.00 0.00 C ATOM 225 C THR A 14 105.041 11.376 6.615 1.00 0.00 C ATOM 226 O THR A 14 105.662 12.168 5.900 1.00 0.00 O ATOM 227 CB THR A 14 106.381 11.307 8.719 1.00 0.00 C ATOM 228 OG1 THR A 14 107.214 10.482 9.521 1.00 0.00 O ATOM 229 CG2 THR A 14 105.259 11.893 9.584 1.00 0.00 C ATOM 0 H THR A 14 107.681 10.250 6.741 1.00 0.00 H new ATOM 0 HA THR A 14 105.086 9.765 8.049 1.00 0.00 H new ATOM 0 HB THR A 14 106.974 12.117 8.293 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.698 10.134 10.278 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.692 12.486 10.389 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.620 12.527 8.970 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.666 11.083 10.009 1.00 0.00 H new ATOM 237 N LEU A 15 103.729 11.208 6.558 1.00 0.00 N ATOM 238 CA LEU A 15 102.900 11.958 5.626 1.00 0.00 C ATOM 239 C LEU A 15 101.906 12.847 6.356 1.00 0.00 C ATOM 240 O LEU A 15 101.224 12.407 7.284 1.00 0.00 O ATOM 241 CB LEU A 15 102.161 10.964 4.730 1.00 0.00 C ATOM 242 CG LEU A 15 101.460 11.679 3.572 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.492 12.239 2.583 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.562 10.675 2.850 1.00 0.00 C ATOM 0 H LEU A 15 103.213 10.556 7.149 1.00 0.00 H new ATOM 0 HA LEU A 15 103.536 12.609 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.866 10.232 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.427 10.415 5.320 1.00 0.00 H new ATOM 0 HG LEU A 15 100.869 12.506 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.976 12.744 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.140 12.949 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.093 11.422 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.055 11.170 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.169 9.855 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.821 10.283 3.547 1.00 0.00 H new ATOM 256 N GLU A 16 101.834 14.098 5.913 1.00 0.00 N ATOM 257 CA GLU A 16 100.923 15.070 6.506 1.00 0.00 C ATOM 258 C GLU A 16 99.643 15.149 5.694 1.00 0.00 C ATOM 259 O GLU A 16 99.667 15.527 4.520 1.00 0.00 O ATOM 260 CB GLU A 16 101.578 16.451 6.555 1.00 0.00 C ATOM 261 CG GLU A 16 102.756 16.438 7.548 1.00 0.00 C ATOM 262 CD GLU A 16 104.051 15.954 6.870 1.00 0.00 C ATOM 263 OE1 GLU A 16 105.072 15.994 7.531 1.00 0.00 O ATOM 264 OE2 GLU A 16 104.016 15.566 5.706 1.00 0.00 O ATOM 0 H GLU A 16 102.397 14.463 5.144 1.00 0.00 H new ATOM 0 HA GLU A 16 100.689 14.748 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.931 16.731 5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.846 17.200 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 16 102.906 17.439 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 16 102.518 15.788 8.390 1.00 0.00 H new ATOM 271 N VAL A 17 98.533 14.782 6.324 1.00 0.00 N ATOM 272 CA VAL A 17 97.233 14.802 5.654 1.00 0.00 C ATOM 273 C VAL A 17 96.145 15.216 6.631 1.00 0.00 C ATOM 274 O VAL A 17 96.430 15.470 7.801 1.00 0.00 O ATOM 275 CB VAL A 17 96.914 13.421 5.056 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.974 13.063 4.013 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.900 12.349 6.159 1.00 0.00 C ATOM 0 H VAL A 17 98.504 14.468 7.294 1.00 0.00 H new ATOM 0 HA VAL A 17 97.272 15.529 4.843 1.00 0.00 H new ATOM 0 HB VAL A 17 95.930 13.458 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.750 12.085 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.973 13.812 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.956 13.037 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.673 11.378 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.877 12.310 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 17 96.140 12.599 6.900 1.00 0.00 H new ATOM 287 N GLU A 18 94.901 15.269 6.151 1.00 0.00 N ATOM 288 CA GLU A 18 93.777 15.638 7.005 1.00 0.00 C ATOM 289 C GLU A 18 92.691 14.550 6.961 1.00 0.00 C ATOM 290 O GLU A 18 92.518 13.907 5.924 1.00 0.00 O ATOM 291 CB GLU A 18 93.180 16.978 6.571 1.00 0.00 C ATOM 292 CG GLU A 18 94.236 18.078 6.701 1.00 0.00 C ATOM 293 CD GLU A 18 93.765 19.338 5.989 1.00 0.00 C ATOM 294 OE1 GLU A 18 94.231 19.582 4.889 1.00 0.00 O ATOM 295 OE2 GLU A 18 92.945 20.042 6.554 1.00 0.00 O ATOM 0 H GLU A 18 94.650 15.063 5.184 1.00 0.00 H new ATOM 0 HA GLU A 18 94.148 15.734 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.831 16.915 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.313 17.218 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.422 18.293 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 18 95.180 17.740 6.273 1.00 0.00 H new ATOM 302 N PRO A 19 91.951 14.330 8.047 1.00 0.00 N ATOM 303 CA PRO A 19 90.867 13.290 8.084 1.00 0.00 C ATOM 304 C PRO A 19 89.771 13.564 7.047 1.00 0.00 C ATOM 305 O PRO A 19 89.080 12.645 6.600 1.00 0.00 O ATOM 306 CB PRO A 19 90.309 13.389 9.510 1.00 0.00 C ATOM 307 CG PRO A 19 90.704 14.740 9.997 1.00 0.00 C ATOM 308 CD PRO A 19 92.046 15.029 9.350 1.00 0.00 C ATOM 0 HA PRO A 19 91.246 12.297 7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 19 89.226 13.270 9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 19 90.720 12.606 10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 19 89.964 15.490 9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 19 90.781 14.758 11.084 1.00 0.00 H new ATOM 0 HD2 PRO A 19 92.209 16.099 9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.873 14.650 9.951 1.00 0.00 H new ATOM 316 N SER A 20 89.644 14.835 6.665 1.00 0.00 N ATOM 317 CA SER A 20 88.657 15.250 5.667 1.00 0.00 C ATOM 318 C SER A 20 89.166 15.007 4.239 1.00 0.00 C ATOM 319 O SER A 20 88.384 15.064 3.286 1.00 0.00 O ATOM 320 CB SER A 20 88.335 16.734 5.841 1.00 0.00 C ATOM 321 OG SER A 20 89.512 17.499 5.611 1.00 0.00 O ATOM 0 H SER A 20 90.214 15.597 7.033 1.00 0.00 H new ATOM 0 HA SER A 20 87.758 14.652 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.551 17.032 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.956 16.921 6.846 1.00 0.00 H new ATOM 0 HG SER A 20 89.309 18.452 5.720 1.00 0.00 H new ATOM 327 N ASP A 21 90.470 14.737 4.101 1.00 0.00 N ATOM 328 CA ASP A 21 91.065 14.485 2.794 1.00 0.00 C ATOM 329 C ASP A 21 90.693 13.099 2.298 1.00 0.00 C ATOM 330 O ASP A 21 90.581 12.157 3.090 1.00 0.00 O ATOM 331 CB ASP A 21 92.592 14.609 2.874 1.00 0.00 C ATOM 332 CG ASP A 21 93.006 16.061 3.155 1.00 0.00 C ATOM 333 OD1 ASP A 21 94.075 16.244 3.713 1.00 0.00 O ATOM 334 OD2 ASP A 21 92.263 16.969 2.799 1.00 0.00 O ATOM 0 H ASP A 21 91.127 14.689 4.880 1.00 0.00 H new ATOM 0 HA ASP A 21 90.680 15.227 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.974 13.958 3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.038 14.273 1.938 1.00 0.00 H new ATOM 339 N THR A 22 90.504 12.983 0.985 1.00 0.00 N ATOM 340 CA THR A 22 90.147 11.709 0.379 1.00 0.00 C ATOM 341 C THR A 22 91.391 10.859 0.162 1.00 0.00 C ATOM 342 O THR A 22 92.510 11.382 0.122 1.00 0.00 O ATOM 343 CB THR A 22 89.453 11.951 -0.964 1.00 0.00 C ATOM 344 OG1 THR A 22 90.177 12.928 -1.699 1.00 0.00 O ATOM 345 CG2 THR A 22 88.023 12.446 -0.725 1.00 0.00 C ATOM 0 H THR A 22 90.593 13.755 0.325 1.00 0.00 H new ATOM 0 HA THR A 22 89.470 11.181 1.050 1.00 0.00 H new ATOM 0 HB THR A 22 89.421 11.019 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.735 13.083 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.532 12.617 -1.683 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.468 11.696 -0.162 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.050 13.378 -0.160 1.00 0.00 H new ATOM 353 N ILE A 23 91.187 9.544 0.063 1.00 0.00 N ATOM 354 CA ILE A 23 92.301 8.617 -0.111 1.00 0.00 C ATOM 355 C ILE A 23 93.038 8.942 -1.412 1.00 0.00 C ATOM 356 O ILE A 23 94.270 8.954 -1.440 1.00 0.00 O ATOM 357 CB ILE A 23 91.777 7.160 -0.120 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.153 6.805 1.263 1.00 0.00 C ATOM 359 CG2 ILE A 23 92.924 6.177 -0.451 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.166 6.923 2.422 1.00 0.00 C ATOM 0 H ILE A 23 90.268 9.102 0.100 1.00 0.00 H new ATOM 0 HA ILE A 23 92.999 8.722 0.719 1.00 0.00 H new ATOM 0 HB ILE A 23 91.009 7.072 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.308 7.466 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 23 90.762 5.788 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.540 5.157 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.333 6.413 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 23 93.709 6.267 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.676 6.664 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 23 92.999 6.242 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.538 7.946 2.477 1.00 0.00 H new ATOM 372 N GLU A 24 92.279 9.208 -2.474 1.00 0.00 N ATOM 373 CA GLU A 24 92.877 9.548 -3.766 1.00 0.00 C ATOM 374 C GLU A 24 93.783 10.782 -3.623 1.00 0.00 C ATOM 375 O GLU A 24 94.780 10.917 -4.338 1.00 0.00 O ATOM 376 CB GLU A 24 91.771 9.842 -4.782 1.00 0.00 C ATOM 377 CG GLU A 24 92.381 10.014 -6.181 1.00 0.00 C ATOM 378 CD GLU A 24 91.297 10.234 -7.245 1.00 0.00 C ATOM 379 OE1 GLU A 24 90.171 10.553 -6.886 1.00 0.00 O ATOM 380 OE2 GLU A 24 91.614 10.075 -8.412 1.00 0.00 O ATOM 0 H GLU A 24 91.259 9.195 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 24 93.476 8.705 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.046 9.028 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.233 10.746 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.067 10.861 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 24 92.967 9.131 -6.435 1.00 0.00 H new ATOM 387 N ASN A 25 93.430 11.657 -2.675 1.00 0.00 N ATOM 388 CA ASN A 25 94.211 12.865 -2.412 1.00 0.00 C ATOM 389 C ASN A 25 95.529 12.509 -1.721 1.00 0.00 C ATOM 390 O ASN A 25 96.571 13.098 -2.014 1.00 0.00 O ATOM 391 CB ASN A 25 93.411 13.836 -1.537 1.00 0.00 C ATOM 392 CG ASN A 25 94.076 15.213 -1.526 1.00 0.00 C ATOM 393 OD1 ASN A 25 94.582 15.669 -2.550 1.00 0.00 O ATOM 394 ND2 ASN A 25 94.097 15.907 -0.420 1.00 0.00 N ATOM 0 H ASN A 25 92.609 11.549 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 25 94.431 13.346 -3.365 1.00 0.00 H new ATOM 0 HB2 ASN A 25 92.392 13.920 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.344 13.449 -0.520 1.00 0.00 H new ATOM 0 HD21 ASN A 25 94.534 16.829 -0.405 1.00 0.00 H new ATOM 0 HD22 ASN A 25 93.677 15.527 0.428 1.00 0.00 H new ATOM 401 N VAL A 26 95.460 11.546 -0.794 1.00 0.00 N ATOM 402 CA VAL A 26 96.639 11.112 -0.040 1.00 0.00 C ATOM 403 C VAL A 26 97.698 10.532 -0.981 1.00 0.00 C ATOM 404 O VAL A 26 98.887 10.832 -0.839 1.00 0.00 O ATOM 405 CB VAL A 26 96.230 10.055 1.013 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.461 9.559 1.793 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.232 10.671 2.001 1.00 0.00 C ATOM 0 H VAL A 26 94.601 11.054 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 26 97.065 11.978 0.467 1.00 0.00 H new ATOM 0 HB VAL A 26 95.774 9.212 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.151 8.816 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.173 9.109 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 26 97.932 10.400 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 26 94.945 9.924 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.694 11.521 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.346 11.006 1.462 1.00 0.00 H new ATOM 417 N LYS A 27 97.262 9.678 -1.913 1.00 0.00 N ATOM 418 CA LYS A 27 98.198 9.039 -2.839 1.00 0.00 C ATOM 419 C LYS A 27 98.999 10.093 -3.594 1.00 0.00 C ATOM 420 O LYS A 27 100.225 9.996 -3.681 1.00 0.00 O ATOM 421 CB LYS A 27 97.447 8.148 -3.829 1.00 0.00 C ATOM 422 CG LYS A 27 96.837 6.962 -3.084 1.00 0.00 C ATOM 423 CD LYS A 27 96.094 6.064 -4.073 1.00 0.00 C ATOM 424 CE LYS A 27 95.484 4.878 -3.323 1.00 0.00 C ATOM 425 NZ LYS A 27 94.738 4.016 -4.283 1.00 0.00 N ATOM 0 H LYS A 27 96.285 9.418 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 27 98.884 8.420 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.664 8.719 -4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.127 7.794 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.619 6.395 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.152 7.316 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.312 6.630 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.778 5.708 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.268 4.301 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.814 5.234 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.323 3.209 -3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.980 4.570 -4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.390 3.666 -5.014 1.00 0.00 H new ATOM 439 N ALA A 28 98.304 11.097 -4.133 1.00 0.00 N ATOM 440 CA ALA A 28 98.967 12.168 -4.882 1.00 0.00 C ATOM 441 C ALA A 28 100.094 12.791 -4.057 1.00 0.00 C ATOM 442 O ALA A 28 101.166 13.083 -4.593 1.00 0.00 O ATOM 443 CB ALA A 28 97.951 13.249 -5.260 1.00 0.00 C ATOM 0 H ALA A 28 97.291 11.191 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 28 99.394 11.737 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.452 14.041 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.167 12.811 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.509 13.665 -4.355 1.00 0.00 H new ATOM 449 N LYS A 29 99.851 12.973 -2.756 1.00 0.00 N ATOM 450 CA LYS A 29 100.866 13.545 -1.867 1.00 0.00 C ATOM 451 C LYS A 29 102.083 12.626 -1.804 1.00 0.00 C ATOM 452 O LYS A 29 103.228 13.086 -1.839 1.00 0.00 O ATOM 453 CB LYS A 29 100.296 13.726 -0.456 1.00 0.00 C ATOM 454 CG LYS A 29 99.220 14.814 -0.466 1.00 0.00 C ATOM 455 CD LYS A 29 98.628 14.955 0.940 1.00 0.00 C ATOM 456 CE LYS A 29 97.561 16.051 0.942 1.00 0.00 C ATOM 457 NZ LYS A 29 96.972 16.169 2.307 1.00 0.00 N ATOM 0 H LYS A 29 98.971 12.736 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 29 101.163 14.517 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 29 99.872 12.786 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.093 13.997 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.649 15.763 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.436 14.559 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.191 14.008 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.415 15.199 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.001 17.002 0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.782 15.816 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.246 16.914 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.539 15.263 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.720 16.412 2.988 1.00 0.00 H new ATOM 471 N ILE A 30 101.815 11.321 -1.722 1.00 0.00 N ATOM 472 CA ILE A 30 102.877 10.320 -1.664 1.00 0.00 C ATOM 473 C ILE A 30 103.684 10.355 -2.963 1.00 0.00 C ATOM 474 O ILE A 30 104.911 10.268 -2.934 1.00 0.00 O ATOM 475 CB ILE A 30 102.271 8.917 -1.439 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.632 8.867 -0.042 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.372 7.838 -1.525 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.727 7.635 0.078 1.00 0.00 C ATOM 0 H ILE A 30 100.871 10.935 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 30 103.541 10.545 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 30 101.522 8.725 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.409 8.833 0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.052 9.773 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 30 102.931 6.854 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 30 103.837 7.871 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.126 8.026 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.279 7.608 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 30 99.940 7.687 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.318 6.733 -0.078 1.00 0.00 H new ATOM 490 N GLN A 31 102.982 10.462 -4.095 1.00 0.00 N ATOM 491 CA GLN A 31 103.637 10.484 -5.404 1.00 0.00 C ATOM 492 C GLN A 31 104.773 11.505 -5.420 1.00 0.00 C ATOM 493 O GLN A 31 105.839 11.241 -5.973 1.00 0.00 O ATOM 494 CB GLN A 31 102.607 10.833 -6.490 1.00 0.00 C ATOM 495 CG GLN A 31 103.250 10.737 -7.883 1.00 0.00 C ATOM 496 CD GLN A 31 102.243 11.121 -8.964 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.391 11.983 -8.748 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.300 10.534 -10.128 1.00 0.00 N ATOM 0 H GLN A 31 101.965 10.534 -4.131 1.00 0.00 H new ATOM 0 HA GLN A 31 104.056 9.497 -5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 31 101.757 10.154 -6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.223 11.840 -6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.118 11.395 -7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 31 103.608 9.722 -8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.007 9.820 -10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 31 101.638 10.789 -10.861 1.00 0.00 H new ATOM 507 N ASP A 32 104.530 12.663 -4.819 1.00 0.00 N ATOM 508 CA ASP A 32 105.534 13.725 -4.772 1.00 0.00 C ATOM 509 C ASP A 32 106.740 13.345 -3.902 1.00 0.00 C ATOM 510 O ASP A 32 107.868 13.739 -4.205 1.00 0.00 O ATOM 511 CB ASP A 32 104.903 15.009 -4.233 1.00 0.00 C ATOM 512 CG ASP A 32 105.816 16.197 -4.519 1.00 0.00 C ATOM 513 OD1 ASP A 32 106.275 16.310 -5.644 1.00 0.00 O ATOM 514 OD2 ASP A 32 106.045 16.974 -3.608 1.00 0.00 O ATOM 0 H ASP A 32 103.650 12.893 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 32 105.894 13.879 -5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 32 103.929 15.168 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 32 104.735 14.919 -3.160 1.00 0.00 H new ATOM 519 N LYS A 33 106.493 12.607 -2.814 1.00 0.00 N ATOM 520 CA LYS A 33 107.574 12.216 -1.893 1.00 0.00 C ATOM 521 C LYS A 33 108.384 11.011 -2.369 1.00 0.00 C ATOM 522 O LYS A 33 109.617 11.026 -2.291 1.00 0.00 O ATOM 523 CB LYS A 33 107.002 11.901 -0.509 1.00 0.00 C ATOM 524 CG LYS A 33 106.567 13.194 0.176 1.00 0.00 C ATOM 525 CD LYS A 33 105.947 12.877 1.535 1.00 0.00 C ATOM 526 CE LYS A 33 105.445 14.171 2.175 1.00 0.00 C ATOM 527 NZ LYS A 33 106.606 15.042 2.512 1.00 0.00 N ATOM 0 H LYS A 33 105.567 12.270 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 33 108.250 13.070 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.153 11.224 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.751 11.392 0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.424 13.855 0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 33 105.846 13.722 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.123 12.173 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.684 12.400 2.181 1.00 0.00 H new ATOM 0 HE2 LYS A 33 104.773 14.691 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 33 104.872 13.946 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 106.304 15.781 3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 107.355 14.468 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 106.971 15.485 1.645 1.00 0.00 H new ATOM 541 N GLU A 34 107.699 9.966 -2.833 1.00 0.00 N ATOM 542 CA GLU A 34 108.375 8.748 -3.287 1.00 0.00 C ATOM 543 C GLU A 34 108.527 8.693 -4.808 1.00 0.00 C ATOM 544 O GLU A 34 109.184 7.786 -5.329 1.00 0.00 O ATOM 545 CB GLU A 34 107.588 7.527 -2.814 1.00 0.00 C ATOM 546 CG GLU A 34 107.690 7.390 -1.286 1.00 0.00 C ATOM 547 CD GLU A 34 106.844 6.208 -0.785 1.00 0.00 C ATOM 548 OE1 GLU A 34 106.738 6.065 0.421 1.00 0.00 O ATOM 549 OE2 GLU A 34 106.319 5.455 -1.602 1.00 0.00 O ATOM 0 H GLU A 34 106.682 9.937 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 34 109.377 8.752 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.543 7.622 -3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.974 6.628 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.731 7.245 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 34 107.353 8.311 -0.811 1.00 0.00 H new ATOM 556 N GLY A 35 107.935 9.658 -5.515 1.00 0.00 N ATOM 557 CA GLY A 35 108.026 9.705 -6.970 1.00 0.00 C ATOM 558 C GLY A 35 107.317 8.521 -7.621 1.00 0.00 C ATOM 559 O GLY A 35 107.661 8.144 -8.744 1.00 0.00 O ATOM 0 H GLY A 35 107.389 10.414 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.587 10.635 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.074 9.710 -7.269 1.00 0.00 H new ATOM 563 N ILE A 36 106.340 7.925 -6.918 1.00 0.00 N ATOM 564 CA ILE A 36 105.619 6.767 -7.463 1.00 0.00 C ATOM 565 C ILE A 36 104.159 7.136 -7.800 1.00 0.00 C ATOM 566 O ILE A 36 103.471 7.728 -6.960 1.00 0.00 O ATOM 567 CB ILE A 36 105.646 5.579 -6.481 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.104 5.227 -6.147 1.00 0.00 C ATOM 569 CG2 ILE A 36 104.970 4.358 -7.133 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.153 4.316 -4.919 1.00 0.00 C ATOM 0 H ILE A 36 106.037 8.219 -5.990 1.00 0.00 H new ATOM 0 HA ILE A 36 106.127 6.469 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 36 105.113 5.850 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.571 4.730 -6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.673 6.137 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 36 104.989 3.518 -6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 36 103.937 4.602 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.505 4.089 -8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.190 4.071 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.704 4.828 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.601 3.399 -5.124 1.00 0.00 H new ATOM 582 N PRO A 37 103.664 6.798 -8.998 1.00 0.00 N ATOM 583 CA PRO A 37 102.262 7.118 -9.397 1.00 0.00 C ATOM 584 C PRO A 37 101.215 6.523 -8.431 1.00 0.00 C ATOM 585 O PRO A 37 101.440 5.440 -7.879 1.00 0.00 O ATOM 586 CB PRO A 37 102.113 6.511 -10.798 1.00 0.00 C ATOM 587 CG PRO A 37 103.499 6.354 -11.310 1.00 0.00 C ATOM 588 CD PRO A 37 104.368 6.089 -10.095 1.00 0.00 C ATOM 0 HA PRO A 37 102.085 8.193 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 37 101.598 5.551 -10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 37 101.526 7.161 -11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.561 5.530 -12.021 1.00 0.00 H new ATOM 0 HG3 PRO A 37 103.825 7.252 -11.834 1.00 0.00 H new ATOM 0 HD2 PRO A 37 104.456 5.022 -9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.379 6.471 -10.235 1.00 0.00 H new ATOM 596 N PRO A 38 100.080 7.191 -8.214 1.00 0.00 N ATOM 597 CA PRO A 38 99.009 6.683 -7.294 1.00 0.00 C ATOM 598 C PRO A 38 98.545 5.273 -7.669 1.00 0.00 C ATOM 599 O PRO A 38 98.285 4.444 -6.794 1.00 0.00 O ATOM 600 CB PRO A 38 97.862 7.693 -7.459 1.00 0.00 C ATOM 601 CG PRO A 38 98.494 8.939 -7.979 1.00 0.00 C ATOM 602 CD PRO A 38 99.688 8.496 -8.807 1.00 0.00 C ATOM 0 HA PRO A 38 99.366 6.604 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.107 7.319 -8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 38 97.361 7.875 -6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 38 97.790 9.509 -8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 38 98.807 9.587 -7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 38 99.426 8.392 -9.860 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.502 9.219 -8.751 1.00 0.00 H new ATOM 610 N ASP A 39 98.439 5.019 -8.975 1.00 0.00 N ATOM 611 CA ASP A 39 97.998 3.715 -9.475 1.00 0.00 C ATOM 612 C ASP A 39 98.966 2.603 -9.074 1.00 0.00 C ATOM 613 O ASP A 39 98.542 1.479 -8.795 1.00 0.00 O ATOM 614 CB ASP A 39 97.875 3.754 -10.999 1.00 0.00 C ATOM 615 CG ASP A 39 96.665 4.591 -11.406 1.00 0.00 C ATOM 616 OD1 ASP A 39 95.611 4.400 -10.824 1.00 0.00 O ATOM 617 OD2 ASP A 39 96.814 5.413 -12.295 1.00 0.00 O ATOM 0 H ASP A 39 98.652 5.699 -9.705 1.00 0.00 H new ATOM 0 HA ASP A 39 97.027 3.501 -9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 39 98.781 4.175 -11.434 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.775 2.741 -11.390 1.00 0.00 H new ATOM 622 N GLN A 40 100.263 2.921 -9.057 1.00 0.00 N ATOM 623 CA GLN A 40 101.288 1.934 -8.700 1.00 0.00 C ATOM 624 C GLN A 40 101.379 1.723 -7.179 1.00 0.00 C ATOM 625 O GLN A 40 102.073 0.814 -6.722 1.00 0.00 O ATOM 626 CB GLN A 40 102.650 2.383 -9.237 1.00 0.00 C ATOM 627 CG GLN A 40 103.638 1.209 -9.193 1.00 0.00 C ATOM 628 CD GLN A 40 104.961 1.586 -9.861 1.00 0.00 C ATOM 629 OE1 GLN A 40 105.012 2.478 -10.710 1.00 0.00 O ATOM 630 NE2 GLN A 40 106.045 0.949 -9.520 1.00 0.00 N ATOM 0 H GLN A 40 100.627 3.846 -9.284 1.00 0.00 H new ATOM 0 HA GLN A 40 101.002 0.984 -9.152 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.547 2.745 -10.260 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.030 3.213 -8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.818 0.918 -8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 40 103.205 0.345 -9.696 1.00 0.00 H new ATOM 0 HE21 GLN A 40 106.003 0.211 -8.817 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.936 1.189 -9.956 1.00 0.00 H new ATOM 639 N GLN A 41 100.679 2.557 -6.401 1.00 0.00 N ATOM 640 CA GLN A 41 100.699 2.438 -4.944 1.00 0.00 C ATOM 641 C GLN A 41 99.314 2.120 -4.400 1.00 0.00 C ATOM 642 O GLN A 41 98.339 2.811 -4.703 1.00 0.00 O ATOM 643 CB GLN A 41 101.200 3.736 -4.319 1.00 0.00 C ATOM 644 CG GLN A 41 102.681 3.913 -4.643 1.00 0.00 C ATOM 645 CD GLN A 41 103.181 5.232 -4.071 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.626 6.290 -4.369 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.215 5.236 -3.274 1.00 0.00 N ATOM 0 H GLN A 41 100.096 3.315 -6.756 1.00 0.00 H new ATOM 0 HA GLN A 41 101.372 1.621 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.629 4.582 -4.702 1.00 0.00 H new ATOM 0 HB3 GLN A 41 101.052 3.714 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.255 3.085 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.831 3.894 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.673 4.358 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.565 6.117 -2.897 1.00 0.00 H new ATOM 656 N ARG A 42 99.252 1.072 -3.582 1.00 0.00 N ATOM 657 CA ARG A 42 97.997 0.647 -2.965 1.00 0.00 C ATOM 658 C ARG A 42 98.165 0.642 -1.456 1.00 0.00 C ATOM 659 O ARG A 42 99.074 -0.009 -0.933 1.00 0.00 O ATOM 660 CB ARG A 42 97.634 -0.763 -3.438 1.00 0.00 C ATOM 661 CG ARG A 42 97.414 -0.752 -4.954 1.00 0.00 C ATOM 662 CD ARG A 42 97.263 -2.186 -5.449 1.00 0.00 C ATOM 663 NE ARG A 42 98.539 -2.897 -5.287 1.00 0.00 N ATOM 664 CZ ARG A 42 98.614 -4.212 -5.017 1.00 0.00 C ATOM 665 NH1 ARG A 42 97.541 -4.957 -4.894 1.00 0.00 N ATOM 666 NH2 ARG A 42 99.789 -4.760 -4.873 1.00 0.00 N ATOM 0 H ARG A 42 100.058 0.500 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 42 97.202 1.335 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.431 -1.461 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.732 -1.107 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.523 -0.174 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 42 98.255 -0.269 -5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 42 96.478 -2.694 -4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 42 96.962 -2.191 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 42 99.406 -2.369 -5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 42 96.616 -4.541 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 97.632 -5.952 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 42 100.631 -4.192 -4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 42 99.865 -5.756 -4.668 1.00 0.00 H new ATOM 680 N LEU A 43 97.307 1.390 -0.761 1.00 0.00 N ATOM 681 CA LEU A 43 97.385 1.488 0.691 1.00 0.00 C ATOM 682 C LEU A 43 96.362 0.583 1.360 1.00 0.00 C ATOM 683 O LEU A 43 95.191 0.553 0.969 1.00 0.00 O ATOM 684 CB LEU A 43 97.129 2.937 1.116 1.00 0.00 C ATOM 685 CG LEU A 43 98.333 3.815 0.746 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.927 5.290 0.802 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.477 3.570 1.739 1.00 0.00 C ATOM 0 H LEU A 43 96.554 1.934 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 43 98.381 1.172 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.230 3.314 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.952 2.983 2.190 1.00 0.00 H new ATOM 0 HG LEU A 43 98.664 3.562 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.782 5.913 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 43 97.116 5.471 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.594 5.538 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.330 4.195 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 99.144 3.820 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.771 2.521 1.704 1.00 0.00 H new ATOM 699 N ILE A 44 96.816 -0.138 2.386 1.00 0.00 N ATOM 700 CA ILE A 44 95.945 -1.032 3.145 1.00 0.00 C ATOM 701 C ILE A 44 95.986 -0.642 4.612 1.00 0.00 C ATOM 702 O ILE A 44 97.035 -0.278 5.152 1.00 0.00 O ATOM 703 CB ILE A 44 96.352 -2.507 2.965 1.00 0.00 C ATOM 704 CG1 ILE A 44 96.197 -2.880 1.481 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.444 -3.419 3.827 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.754 -4.280 1.219 1.00 0.00 C ATOM 0 H ILE A 44 97.783 -0.119 2.710 1.00 0.00 H new ATOM 0 HA ILE A 44 94.928 -0.930 2.767 1.00 0.00 H new ATOM 0 HB ILE A 44 97.386 -2.644 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 44 95.145 -2.842 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.720 -2.152 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.740 -4.459 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.546 -3.146 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.406 -3.295 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.636 -4.527 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.812 -4.306 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 44 96.212 -5.006 1.825 1.00 0.00 H new ATOM 718 N PHE A 45 94.823 -0.731 5.235 1.00 0.00 N ATOM 719 CA PHE A 45 94.676 -0.399 6.642 1.00 0.00 C ATOM 720 C PHE A 45 93.830 -1.456 7.346 1.00 0.00 C ATOM 721 O PHE A 45 92.670 -1.678 6.996 1.00 0.00 O ATOM 722 CB PHE A 45 94.019 0.983 6.781 1.00 0.00 C ATOM 723 CG PHE A 45 93.926 1.386 8.243 1.00 0.00 C ATOM 724 CD1 PHE A 45 92.674 1.476 8.869 1.00 0.00 C ATOM 725 CD2 PHE A 45 95.091 1.662 8.971 1.00 0.00 C ATOM 726 CE1 PHE A 45 92.590 1.846 10.217 1.00 0.00 C ATOM 727 CE2 PHE A 45 95.006 2.030 10.318 1.00 0.00 C ATOM 728 CZ PHE A 45 93.756 2.123 10.940 1.00 0.00 C ATOM 0 H PHE A 45 93.960 -1.033 4.784 1.00 0.00 H new ATOM 0 HA PHE A 45 95.661 -0.375 7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.598 1.724 6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.023 0.964 6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 45 91.775 1.260 8.311 1.00 0.00 H new ATOM 0 HD2 PHE A 45 96.056 1.591 8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 45 91.626 1.918 10.699 1.00 0.00 H new ATOM 0 HE2 PHE A 45 95.905 2.242 10.878 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.691 2.409 11.979 1.00 0.00 H new ATOM 738 N ALA A 46 94.434 -2.090 8.349 1.00 0.00 N ATOM 739 CA ALA A 46 93.758 -3.128 9.139 1.00 0.00 C ATOM 740 C ALA A 46 93.426 -4.366 8.294 1.00 0.00 C ATOM 741 O ALA A 46 92.593 -5.183 8.692 1.00 0.00 O ATOM 742 CB ALA A 46 92.469 -2.564 9.758 1.00 0.00 C ATOM 0 H ALA A 46 95.395 -1.905 8.638 1.00 0.00 H new ATOM 0 HA ALA A 46 94.443 -3.436 9.929 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.975 -3.341 10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.715 -1.724 10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.802 -2.227 8.965 1.00 0.00 H new ATOM 748 N GLY A 47 94.100 -4.513 7.145 1.00 0.00 N ATOM 749 CA GLY A 47 93.887 -5.669 6.272 1.00 0.00 C ATOM 750 C GLY A 47 93.028 -5.343 5.045 1.00 0.00 C ATOM 751 O GLY A 47 93.057 -6.085 4.058 1.00 0.00 O ATOM 0 H GLY A 47 94.793 -3.848 6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.853 -6.050 5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.408 -6.465 6.843 1.00 0.00 H new ATOM 755 N LYS A 48 92.270 -4.242 5.101 1.00 0.00 N ATOM 756 CA LYS A 48 91.411 -3.843 3.976 1.00 0.00 C ATOM 757 C LYS A 48 92.028 -2.670 3.221 1.00 0.00 C ATOM 758 O LYS A 48 92.702 -1.832 3.818 1.00 0.00 O ATOM 759 CB LYS A 48 90.009 -3.456 4.478 1.00 0.00 C ATOM 760 CG LYS A 48 90.102 -2.322 5.510 1.00 0.00 C ATOM 761 CD LYS A 48 88.699 -1.909 5.954 1.00 0.00 C ATOM 762 CE LYS A 48 88.798 -0.747 6.945 1.00 0.00 C ATOM 763 NZ LYS A 48 89.372 -1.235 8.231 1.00 0.00 N ATOM 0 H LYS A 48 92.232 -3.615 5.905 1.00 0.00 H new ATOM 0 HA LYS A 48 91.323 -4.693 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.389 -3.142 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.524 -4.324 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.684 -2.649 6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.623 -1.467 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.105 -1.614 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.189 -2.754 6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.424 0.044 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 48 87.811 -0.316 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 88.720 -1.010 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 89.510 -2.265 8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 90.287 -0.771 8.401 1.00 0.00 H new ATOM 777 N GLN A 49 91.786 -2.615 1.910 1.00 0.00 N ATOM 778 CA GLN A 49 92.320 -1.538 1.083 1.00 0.00 C ATOM 779 C GLN A 49 91.484 -0.274 1.235 1.00 0.00 C ATOM 780 O GLN A 49 90.267 -0.339 1.433 1.00 0.00 O ATOM 781 CB GLN A 49 92.334 -1.963 -0.381 1.00 0.00 C ATOM 782 CG GLN A 49 93.158 -0.962 -1.199 1.00 0.00 C ATOM 783 CD GLN A 49 93.285 -1.437 -2.644 1.00 0.00 C ATOM 784 OE1 GLN A 49 93.233 -2.639 -2.922 1.00 0.00 O ATOM 785 NE2 GLN A 49 93.441 -0.560 -3.594 1.00 0.00 N ATOM 0 H GLN A 49 91.227 -3.301 1.403 1.00 0.00 H new ATOM 0 HA GLN A 49 93.337 -1.328 1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 49 92.759 -2.962 -0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 49 91.315 -2.011 -0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 49 92.683 0.019 -1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 49 94.148 -0.849 -0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 49 93.484 0.434 -3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 49 93.520 -0.867 -4.564 1.00 0.00 H new ATOM 794 N LEU A 50 92.156 0.872 1.127 1.00 0.00 N ATOM 795 CA LEU A 50 91.490 2.160 1.241 1.00 0.00 C ATOM 796 C LEU A 50 90.876 2.557 -0.095 1.00 0.00 C ATOM 797 O LEU A 50 91.566 2.608 -1.117 1.00 0.00 O ATOM 798 CB LEU A 50 92.498 3.223 1.689 1.00 0.00 C ATOM 799 CG LEU A 50 92.883 2.989 3.157 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.119 3.826 3.493 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.727 3.413 4.072 1.00 0.00 C ATOM 0 H LEU A 50 93.161 0.930 0.961 1.00 0.00 H new ATOM 0 HA LEU A 50 90.694 2.083 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.387 3.183 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 50 92.068 4.218 1.570 1.00 0.00 H new ATOM 0 HG LEU A 50 93.096 1.931 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.396 3.663 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.945 3.530 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.897 4.882 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 50 92.006 3.245 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.512 4.471 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.840 2.825 3.834 1.00 0.00 H new ATOM 813 N GLU A 51 89.573 2.824 -0.070 1.00 0.00 N ATOM 814 CA GLU A 51 88.844 3.205 -1.276 1.00 0.00 C ATOM 815 C GLU A 51 89.158 4.649 -1.655 1.00 0.00 C ATOM 816 O GLU A 51 89.071 5.552 -0.819 1.00 0.00 O ATOM 817 CB GLU A 51 87.344 3.044 -1.047 1.00 0.00 C ATOM 818 CG GLU A 51 86.590 3.188 -2.377 1.00 0.00 C ATOM 819 CD GLU A 51 85.084 2.977 -2.175 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.332 3.484 -2.986 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.703 2.297 -1.228 1.00 0.00 O ATOM 0 H GLU A 51 89.000 2.783 0.773 1.00 0.00 H new ATOM 0 HA GLU A 51 89.156 2.554 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.138 2.068 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.994 3.794 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.770 4.178 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.970 2.463 -3.096 1.00 0.00 H new ATOM 828 N ASP A 52 89.533 4.844 -2.916 1.00 0.00 N ATOM 829 CA ASP A 52 89.886 6.171 -3.419 1.00 0.00 C ATOM 830 C ASP A 52 88.717 7.148 -3.276 1.00 0.00 C ATOM 831 O ASP A 52 88.928 8.330 -2.988 1.00 0.00 O ATOM 832 CB ASP A 52 90.290 6.076 -4.892 1.00 0.00 C ATOM 833 CG ASP A 52 89.134 5.530 -5.728 1.00 0.00 C ATOM 834 OD1 ASP A 52 88.820 6.143 -6.735 1.00 0.00 O ATOM 835 OD2 ASP A 52 88.584 4.507 -5.354 1.00 0.00 O ATOM 0 H ASP A 52 89.601 4.100 -3.610 1.00 0.00 H new ATOM 0 HA ASP A 52 90.722 6.544 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 52 90.580 7.060 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 52 91.160 5.428 -4.996 1.00 0.00 H new ATOM 840 N GLY A 53 87.497 6.652 -3.490 1.00 0.00 N ATOM 841 CA GLY A 53 86.292 7.487 -3.394 1.00 0.00 C ATOM 842 C GLY A 53 85.823 7.692 -1.948 1.00 0.00 C ATOM 843 O GLY A 53 84.742 8.245 -1.722 1.00 0.00 O ATOM 0 H GLY A 53 87.314 5.678 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.492 8.458 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.489 7.026 -3.969 1.00 0.00 H new ATOM 847 N ARG A 54 86.631 7.253 -0.979 1.00 0.00 N ATOM 848 CA ARG A 54 86.288 7.403 0.437 1.00 0.00 C ATOM 849 C ARG A 54 87.273 8.328 1.134 1.00 0.00 C ATOM 850 O ARG A 54 88.342 8.625 0.596 1.00 0.00 O ATOM 851 CB ARG A 54 86.283 6.042 1.135 1.00 0.00 C ATOM 852 CG ARG A 54 85.028 5.268 0.729 1.00 0.00 C ATOM 853 CD ARG A 54 84.960 3.952 1.503 1.00 0.00 C ATOM 854 NE ARG A 54 83.739 3.224 1.140 1.00 0.00 N ATOM 855 CZ ARG A 54 82.553 3.452 1.739 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.421 4.352 2.686 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.512 2.763 1.365 1.00 0.00 N ATOM 0 H ARG A 54 87.525 6.792 -1.149 1.00 0.00 H new ATOM 0 HA ARG A 54 85.291 7.839 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.175 5.478 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.307 6.175 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.139 5.866 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.042 5.070 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.837 3.343 1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.972 4.149 2.575 1.00 0.00 H new ATOM 0 HE ARG A 54 83.789 2.518 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.228 4.899 2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.512 4.504 3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 54 81.602 2.063 0.629 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.608 2.924 1.809 1.00 0.00 H new ATOM 871 N THR A 55 86.896 8.780 2.332 1.00 0.00 N ATOM 872 CA THR A 55 87.747 9.680 3.108 1.00 0.00 C ATOM 873 C THR A 55 88.337 8.960 4.317 1.00 0.00 C ATOM 874 O THR A 55 87.846 7.908 4.735 1.00 0.00 O ATOM 875 CB THR A 55 86.946 10.899 3.577 1.00 0.00 C ATOM 876 OG1 THR A 55 85.747 10.466 4.203 1.00 0.00 O ATOM 877 CG2 THR A 55 86.607 11.788 2.376 1.00 0.00 C ATOM 0 H THR A 55 86.013 8.539 2.782 1.00 0.00 H new ATOM 0 HA THR A 55 88.562 10.011 2.464 1.00 0.00 H new ATOM 0 HB THR A 55 87.542 11.470 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.235 11.246 4.504 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.037 12.654 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.528 12.123 1.900 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.014 11.220 1.659 1.00 0.00 H new ATOM 885 N LEU A 56 89.415 9.532 4.850 1.00 0.00 N ATOM 886 CA LEU A 56 90.116 8.953 5.992 1.00 0.00 C ATOM 887 C LEU A 56 89.190 8.827 7.197 1.00 0.00 C ATOM 888 O LEU A 56 89.236 7.823 7.915 1.00 0.00 O ATOM 889 CB LEU A 56 91.327 9.820 6.356 1.00 0.00 C ATOM 890 CG LEU A 56 92.397 9.721 5.257 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.434 10.828 5.453 1.00 0.00 C ATOM 892 CD2 LEU A 56 93.102 8.359 5.333 1.00 0.00 C ATOM 0 H LEU A 56 89.823 10.401 4.506 1.00 0.00 H new ATOM 0 HA LEU A 56 90.454 7.955 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 56 91.017 10.858 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.743 9.495 7.310 1.00 0.00 H new ATOM 0 HG LEU A 56 91.917 9.829 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.193 10.758 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.944 11.800 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.905 10.716 6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.859 8.297 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.578 8.249 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.371 7.563 5.194 1.00 0.00 H new ATOM 904 N SER A 57 88.353 9.842 7.418 1.00 0.00 N ATOM 905 CA SER A 57 87.412 9.825 8.539 1.00 0.00 C ATOM 906 C SER A 57 86.453 8.640 8.426 1.00 0.00 C ATOM 907 O SER A 57 86.078 8.035 9.432 1.00 0.00 O ATOM 908 CB SER A 57 86.610 11.125 8.579 1.00 0.00 C ATOM 909 OG SER A 57 87.500 12.227 8.538 1.00 0.00 O ATOM 0 H SER A 57 88.307 10.681 6.840 1.00 0.00 H new ATOM 0 HA SER A 57 87.988 9.726 9.459 1.00 0.00 H new ATOM 0 HB2 SER A 57 85.922 11.167 7.735 1.00 0.00 H new ATOM 0 HB3 SER A 57 86.005 11.165 9.485 1.00 0.00 H new ATOM 0 HG SER A 57 87.802 12.369 7.617 1.00 0.00 H new ATOM 915 N ASP A 58 86.064 8.322 7.190 1.00 0.00 N ATOM 916 CA ASP A 58 85.144 7.209 6.934 1.00 0.00 C ATOM 917 C ASP A 58 85.769 5.857 7.289 1.00 0.00 C ATOM 918 O ASP A 58 85.052 4.866 7.446 1.00 0.00 O ATOM 919 CB ASP A 58 84.729 7.210 5.458 1.00 0.00 C ATOM 920 CG ASP A 58 83.764 8.365 5.160 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.160 8.888 6.089 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.646 8.716 3.998 1.00 0.00 O ATOM 0 H ASP A 58 86.370 8.817 6.352 1.00 0.00 H new ATOM 0 HA ASP A 58 84.270 7.350 7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.614 7.299 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.254 6.261 5.209 1.00 0.00 H new ATOM 927 N TYR A 59 87.099 5.824 7.414 1.00 0.00 N ATOM 928 CA TYR A 59 87.808 4.587 7.749 1.00 0.00 C ATOM 929 C TYR A 59 88.200 4.527 9.226 1.00 0.00 C ATOM 930 O TYR A 59 89.006 3.674 9.607 1.00 0.00 O ATOM 931 CB TYR A 59 89.065 4.446 6.882 1.00 0.00 C ATOM 932 CG TYR A 59 88.708 3.827 5.547 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.586 4.635 4.413 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.500 2.446 5.450 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.255 4.063 3.180 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.170 1.873 4.217 1.00 0.00 C ATOM 937 CZ TYR A 59 88.048 2.683 3.082 1.00 0.00 C ATOM 938 OH TYR A 59 87.721 2.119 1.866 1.00 0.00 O ATOM 0 H TYR A 59 87.703 6.636 7.289 1.00 0.00 H new ATOM 0 HA TYR A 59 87.124 3.762 7.550 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.522 5.424 6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.802 3.827 7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.747 5.700 4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.594 1.823 6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.159 4.687 2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 59 88.010 0.808 4.141 1.00 0.00 H new ATOM 0 HH TYR A 59 87.613 1.151 1.973 1.00 0.00 H new ATOM 948 N ASN A 60 87.636 5.414 10.058 1.00 0.00 N ATOM 949 CA ASN A 60 87.948 5.415 11.489 1.00 0.00 C ATOM 950 C ASN A 60 89.451 5.608 11.714 1.00 0.00 C ATOM 951 O ASN A 60 90.063 4.944 12.562 1.00 0.00 O ATOM 952 CB ASN A 60 87.467 4.101 12.125 1.00 0.00 C ATOM 953 CG ASN A 60 85.944 4.012 12.058 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.252 5.017 12.219 1.00 0.00 O ATOM 955 ND2 ASN A 60 85.380 2.858 11.830 1.00 0.00 N ATOM 0 H ASN A 60 86.970 6.130 9.767 1.00 0.00 H new ATOM 0 HA ASN A 60 87.429 6.247 11.964 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.912 3.252 11.605 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.797 4.048 13.163 1.00 0.00 H new ATOM 0 HD21 ASN A 60 84.363 2.787 11.785 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.956 2.026 11.697 1.00 0.00 H new ATOM 962 N ILE A 61 90.036 6.534 10.954 1.00 0.00 N ATOM 963 CA ILE A 61 91.465 6.835 11.069 1.00 0.00 C ATOM 964 C ILE A 61 91.634 8.094 11.914 1.00 0.00 C ATOM 965 O ILE A 61 91.001 9.119 11.644 1.00 0.00 O ATOM 966 CB ILE A 61 92.090 7.036 9.675 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.898 5.762 8.832 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.596 7.326 9.816 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.184 6.062 7.357 1.00 0.00 C ATOM 0 H ILE A 61 89.544 7.088 10.253 1.00 0.00 H new ATOM 0 HA ILE A 61 91.976 6.000 11.547 1.00 0.00 H new ATOM 0 HB ILE A 61 91.601 7.877 9.184 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.565 4.977 9.188 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.879 5.391 8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.033 7.467 8.828 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.739 8.230 10.409 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.083 6.486 10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 61 92.046 5.155 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.499 6.833 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.211 6.412 7.249 1.00 0.00 H new ATOM 981 N GLN A 62 92.475 8.000 12.942 1.00 0.00 N ATOM 982 CA GLN A 62 92.709 9.127 13.842 1.00 0.00 C ATOM 983 C GLN A 62 94.120 9.694 13.655 1.00 0.00 C ATOM 984 O GLN A 62 94.832 9.321 12.719 1.00 0.00 O ATOM 985 CB GLN A 62 92.506 8.664 15.290 1.00 0.00 C ATOM 986 CG GLN A 62 91.038 8.296 15.517 1.00 0.00 C ATOM 987 CD GLN A 62 90.822 7.783 16.946 1.00 0.00 C ATOM 988 OE1 GLN A 62 91.733 7.805 17.781 1.00 0.00 O ATOM 989 NE2 GLN A 62 89.654 7.314 17.283 1.00 0.00 N ATOM 0 H GLN A 62 93.004 7.159 13.172 1.00 0.00 H new ATOM 0 HA GLN A 62 91.999 9.921 13.609 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.142 7.804 15.499 1.00 0.00 H new ATOM 0 HB3 GLN A 62 92.803 9.455 15.979 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.408 9.167 15.339 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.735 7.532 14.801 1.00 0.00 H new ATOM 0 HE21 GLN A 62 88.897 7.292 16.600 1.00 0.00 H new ATOM 0 HE22 GLN A 62 89.497 6.969 18.230 1.00 0.00 H new ATOM 998 N LYS A 63 94.506 10.592 14.560 1.00 0.00 N ATOM 999 CA LYS A 63 95.814 11.225 14.526 1.00 0.00 C ATOM 1000 C LYS A 63 96.922 10.194 14.673 1.00 0.00 C ATOM 1001 O LYS A 63 96.862 9.325 15.546 1.00 0.00 O ATOM 1002 CB LYS A 63 95.903 12.234 15.674 1.00 0.00 C ATOM 1003 CG LYS A 63 94.858 13.342 15.477 1.00 0.00 C ATOM 1004 CD LYS A 63 95.323 14.304 14.384 1.00 0.00 C ATOM 1005 CE LYS A 63 94.279 15.400 14.195 1.00 0.00 C ATOM 1006 NZ LYS A 63 94.735 16.344 13.134 1.00 0.00 N ATOM 0 H LYS A 63 93.918 10.898 15.335 1.00 0.00 H new ATOM 0 HA LYS A 63 95.939 11.726 13.566 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.737 11.730 16.626 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.902 12.667 15.713 1.00 0.00 H new ATOM 0 HG2 LYS A 63 93.898 12.904 15.205 1.00 0.00 H new ATOM 0 HG3 LYS A 63 94.708 13.883 16.411 1.00 0.00 H new ATOM 0 HD2 LYS A 63 96.283 14.744 14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 63 95.473 13.764 13.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 93.321 14.960 13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 63 94.125 15.936 15.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 94.444 17.311 13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 95.771 16.304 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 94.308 16.076 12.224 1.00 0.00 H new ATOM 1020 N GLU A 64 97.932 10.305 13.810 1.00 0.00 N ATOM 1021 CA GLU A 64 99.068 9.392 13.827 1.00 0.00 C ATOM 1022 C GLU A 64 98.600 7.947 13.683 1.00 0.00 C ATOM 1023 O GLU A 64 98.267 7.284 14.669 1.00 0.00 O ATOM 1024 CB GLU A 64 99.859 9.564 15.125 1.00 0.00 C ATOM 1025 CG GLU A 64 100.546 10.939 15.138 1.00 0.00 C ATOM 1026 CD GLU A 64 101.260 11.195 16.477 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.237 10.325 17.339 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.823 12.268 16.621 1.00 0.00 O ATOM 0 H GLU A 64 97.984 11.023 13.088 1.00 0.00 H new ATOM 0 HA GLU A 64 99.715 9.629 12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.193 9.472 15.983 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.605 8.774 15.215 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.267 10.995 14.322 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.805 11.720 14.963 1.00 0.00 H new ATOM 1035 N SER A 65 98.593 7.470 12.436 1.00 0.00 N ATOM 1036 CA SER A 65 98.184 6.101 12.136 1.00 0.00 C ATOM 1037 C SER A 65 99.192 5.460 11.190 1.00 0.00 C ATOM 1038 O SER A 65 99.779 6.144 10.347 1.00 0.00 O ATOM 1039 CB SER A 65 96.794 6.100 11.494 1.00 0.00 C ATOM 1040 OG SER A 65 95.830 6.469 12.469 1.00 0.00 O ATOM 0 H SER A 65 98.867 8.015 11.618 1.00 0.00 H new ATOM 0 HA SER A 65 98.146 5.528 13.062 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.767 6.797 10.656 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.565 5.112 11.095 1.00 0.00 H new ATOM 0 HG SER A 65 95.638 7.427 12.393 1.00 0.00 H new ATOM 1046 N THR A 66 99.394 4.148 11.343 1.00 0.00 N ATOM 1047 CA THR A 66 100.346 3.430 10.501 1.00 0.00 C ATOM 1048 C THR A 66 99.631 2.728 9.353 1.00 0.00 C ATOM 1049 O THR A 66 98.836 1.810 9.571 1.00 0.00 O ATOM 1050 CB THR A 66 101.112 2.401 11.337 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.602 3.023 12.517 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.290 1.853 10.525 1.00 0.00 C ATOM 0 H THR A 66 98.916 3.570 12.034 1.00 0.00 H new ATOM 0 HA THR A 66 101.047 4.153 10.084 1.00 0.00 H new ATOM 0 HB THR A 66 100.444 1.582 11.604 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.091 2.366 13.054 1.00 0.00 H new ATOM 0 HG21 THR A 66 102.834 1.121 11.122 1.00 0.00 H new ATOM 0 HG22 THR A 66 101.917 1.377 9.618 1.00 0.00 H new ATOM 0 HG23 THR A 66 102.959 2.671 10.256 1.00 0.00 H new ATOM 1060 N LEU A 67 99.929 3.174 8.133 1.00 0.00 N ATOM 1061 CA LEU A 67 99.324 2.602 6.935 1.00 0.00 C ATOM 1062 C LEU A 67 100.325 1.709 6.214 1.00 0.00 C ATOM 1063 O LEU A 67 101.526 1.981 6.223 1.00 0.00 O ATOM 1064 CB LEU A 67 98.874 3.719 5.989 1.00 0.00 C ATOM 1065 CG LEU A 67 97.714 4.505 6.614 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.522 5.821 5.857 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.420 3.687 6.519 1.00 0.00 C ATOM 0 H LEU A 67 100.587 3.931 7.950 1.00 0.00 H new ATOM 0 HA LEU A 67 98.460 2.008 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.708 4.390 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.563 3.294 5.035 1.00 0.00 H new ATOM 0 HG LEU A 67 97.945 4.706 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.698 6.379 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.436 6.412 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.296 5.610 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.600 4.250 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.194 3.484 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.545 2.745 7.053 1.00 0.00 H new ATOM 1079 N HIS A 68 99.814 0.647 5.590 1.00 0.00 N ATOM 1080 CA HIS A 68 100.660 -0.285 4.855 1.00 0.00 C ATOM 1081 C HIS A 68 100.694 0.089 3.382 1.00 0.00 C ATOM 1082 O HIS A 68 99.644 0.246 2.751 1.00 0.00 O ATOM 1083 CB HIS A 68 100.137 -1.714 5.009 1.00 0.00 C ATOM 1084 CG HIS A 68 100.364 -2.183 6.419 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.633 -2.412 6.922 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.496 -2.466 7.444 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.499 -2.816 8.198 1.00 0.00 C ATOM 1088 NE2 HIS A 68 100.216 -2.867 8.567 1.00 0.00 N ATOM 0 H HIS A 68 98.821 0.414 5.581 1.00 0.00 H new ATOM 0 HA HIS A 68 101.669 -0.230 5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.074 -1.751 4.769 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.646 -2.376 4.308 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.420 -2.390 7.388 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.327 -3.068 8.845 1.00 0.00 H new ATOM 0 HE2 HIS A 68 99.844 -3.141 9.476 1.00 0.00 H new ATOM 1096 N LEU A 69 101.906 0.226 2.843 1.00 0.00 N ATOM 1097 CA LEU A 69 102.081 0.580 1.440 1.00 0.00 C ATOM 1098 C LEU A 69 102.571 -0.626 0.654 1.00 0.00 C ATOM 1099 O LEU A 69 103.504 -1.314 1.073 1.00 0.00 O ATOM 1100 CB LEU A 69 103.095 1.719 1.292 1.00 0.00 C ATOM 1101 CG LEU A 69 103.082 2.238 -0.156 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.838 3.099 -0.383 1.00 0.00 C ATOM 1103 CD2 LEU A 69 104.335 3.077 -0.421 1.00 0.00 C ATOM 0 H LEU A 69 102.777 0.097 3.358 1.00 0.00 H new ATOM 0 HA LEU A 69 101.117 0.906 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.851 2.528 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 69 104.093 1.367 1.554 1.00 0.00 H new ATOM 0 HG LEU A 69 103.067 1.388 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.831 3.465 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.944 2.501 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.851 3.945 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.319 3.441 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.357 3.925 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 69 105.223 2.464 -0.268 1.00 0.00 H new ATOM 1115 N VAL A 70 101.939 -0.862 -0.491 1.00 0.00 N ATOM 1116 CA VAL A 70 102.306 -1.973 -1.363 1.00 0.00 C ATOM 1117 C VAL A 70 102.558 -1.408 -2.756 1.00 0.00 C ATOM 1118 O VAL A 70 101.921 -0.423 -3.141 1.00 0.00 O ATOM 1119 CB VAL A 70 101.170 -3.017 -1.415 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.626 -4.242 -2.217 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.788 -3.458 0.009 1.00 0.00 C ATOM 0 H VAL A 70 101.166 -0.295 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 70 103.199 -2.468 -0.983 1.00 0.00 H new ATOM 0 HB VAL A 70 100.303 -2.565 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.820 -4.975 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.882 -3.938 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.500 -4.685 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 70 99.986 -4.194 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.656 -3.900 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.451 -2.593 0.580 1.00 0.00 H new ATOM 1131 N LEU A 71 103.480 -2.016 -3.504 1.00 0.00 N ATOM 1132 CA LEU A 71 103.791 -1.539 -4.852 1.00 0.00 C ATOM 1133 C LEU A 71 103.242 -2.508 -5.887 1.00 0.00 C ATOM 1134 O LEU A 71 103.449 -3.720 -5.782 1.00 0.00 O ATOM 1135 CB LEU A 71 105.304 -1.393 -5.034 1.00 0.00 C ATOM 1136 CG LEU A 71 105.596 -0.578 -6.305 1.00 0.00 C ATOM 1137 CD1 LEU A 71 105.335 0.909 -6.039 1.00 0.00 C ATOM 1138 CD2 LEU A 71 107.060 -0.767 -6.712 1.00 0.00 C ATOM 0 H LEU A 71 104.018 -2.829 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 71 103.325 -0.563 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.739 -0.899 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.768 -2.377 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 71 104.945 -0.924 -7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.543 1.482 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 71 104.293 1.050 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.983 1.254 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 107.265 -0.189 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.709 -0.425 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 71 107.250 -1.822 -6.907 1.00 0.00 H new ATOM 1150 N ARG A 72 102.546 -1.966 -6.889 1.00 0.00 N ATOM 1151 CA ARG A 72 101.968 -2.781 -7.948 1.00 0.00 C ATOM 1152 C ARG A 72 102.753 -2.591 -9.248 1.00 0.00 C ATOM 1153 O ARG A 72 102.414 -1.743 -10.080 1.00 0.00 O ATOM 1154 CB ARG A 72 100.499 -2.395 -8.156 1.00 0.00 C ATOM 1155 CG ARG A 72 99.868 -3.321 -9.199 1.00 0.00 C ATOM 1156 CD ARG A 72 98.428 -2.898 -9.439 1.00 0.00 C ATOM 1157 NE ARG A 72 97.758 -3.865 -10.316 1.00 0.00 N ATOM 1158 CZ ARG A 72 96.623 -3.581 -10.980 1.00 0.00 C ATOM 1159 NH1 ARG A 72 96.045 -2.406 -10.884 1.00 0.00 N ATOM 1160 NH2 ARG A 72 96.086 -4.495 -11.739 1.00 0.00 N ATOM 0 H ARG A 72 102.372 -0.966 -6.985 1.00 0.00 H new ATOM 0 HA ARG A 72 102.022 -3.831 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.956 -2.469 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.428 -1.358 -8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 72 100.432 -3.277 -10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.903 -4.354 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.898 -2.829 -8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 72 98.403 -1.907 -9.891 1.00 0.00 H new ATOM 0 HE ARG A 72 98.170 -4.791 -10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 72 96.456 -1.682 -10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 72 95.185 -2.217 -11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 72 96.526 -5.411 -11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 72 95.226 -4.294 -12.248 1.00 0.00 H new ATOM 1174 N LEU A 73 103.797 -3.396 -9.408 1.00 0.00 N ATOM 1175 CA LEU A 73 104.635 -3.329 -10.598 1.00 0.00 C ATOM 1176 C LEU A 73 103.893 -3.904 -11.797 1.00 0.00 C ATOM 1177 O LEU A 73 102.994 -4.734 -11.639 1.00 0.00 O ATOM 1178 CB LEU A 73 105.935 -4.107 -10.373 1.00 0.00 C ATOM 1179 CG LEU A 73 106.790 -3.393 -9.317 1.00 0.00 C ATOM 1180 CD1 LEU A 73 107.910 -4.325 -8.853 1.00 0.00 C ATOM 1181 CD2 LEU A 73 107.413 -2.126 -9.919 1.00 0.00 C ATOM 0 H LEU A 73 104.083 -4.102 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 73 104.875 -2.284 -10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 73 105.710 -5.123 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 73 106.488 -4.188 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 73 106.157 -3.122 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 73 108.518 -3.818 -8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 73 107.477 -5.227 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 73 108.535 -4.595 -9.704 1.00 0.00 H new ATOM 0 HD21 LEU A 73 108.018 -1.624 -9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 73 108.042 -2.397 -10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.622 -1.455 -10.254 1.00 0.00 H new ATOM 1193 N ARG A 74 104.284 -3.462 -12.993 1.00 0.00 N ATOM 1194 CA ARG A 74 103.658 -3.939 -14.219 1.00 0.00 C ATOM 1195 C ARG A 74 103.972 -5.424 -14.415 1.00 0.00 C ATOM 1196 O ARG A 74 103.092 -6.212 -14.769 1.00 0.00 O ATOM 1197 CB ARG A 74 104.169 -3.129 -15.417 1.00 0.00 C ATOM 1198 CG ARG A 74 103.420 -3.553 -16.682 1.00 0.00 C ATOM 1199 CD ARG A 74 103.973 -2.800 -17.889 1.00 0.00 C ATOM 1200 NE ARG A 74 103.153 -3.081 -19.072 1.00 0.00 N ATOM 1201 CZ ARG A 74 103.349 -4.157 -19.858 1.00 0.00 C ATOM 1202 NH1 ARG A 74 104.302 -5.027 -19.613 1.00 0.00 N ATOM 1203 NH2 ARG A 74 102.568 -4.341 -20.886 1.00 0.00 N ATOM 0 H ARG A 74 105.027 -2.778 -13.135 1.00 0.00 H new ATOM 0 HA ARG A 74 102.578 -3.811 -14.144 1.00 0.00 H new ATOM 0 HB2 ARG A 74 104.024 -2.064 -15.237 1.00 0.00 H new ATOM 0 HB3 ARG A 74 105.240 -3.288 -15.546 1.00 0.00 H new ATOM 0 HG2 ARG A 74 103.524 -4.627 -16.834 1.00 0.00 H new ATOM 0 HG3 ARG A 74 102.355 -3.348 -16.571 1.00 0.00 H new ATOM 0 HD2 ARG A 74 103.981 -1.729 -17.688 1.00 0.00 H new ATOM 0 HD3 ARG A 74 105.005 -3.098 -18.072 1.00 0.00 H new ATOM 0 HE ARG A 74 102.402 -2.433 -19.310 1.00 0.00 H new ATOM 0 HH11 ARG A 74 104.917 -4.897 -18.810 1.00 0.00 H new ATOM 0 HH12 ARG A 74 104.427 -5.833 -20.226 1.00 0.00 H new ATOM 0 HH21 ARG A 74 101.822 -3.675 -21.085 1.00 0.00 H new ATOM 0 HH22 ARG A 74 102.704 -5.151 -21.491 1.00 0.00 H new ATOM 1217 N GLY A 75 105.236 -5.785 -14.187 1.00 0.00 N ATOM 1218 CA GLY A 75 105.677 -7.171 -14.339 1.00 0.00 C ATOM 1219 C GLY A 75 107.181 -7.290 -14.119 1.00 0.00 C ATOM 1220 O GLY A 75 107.849 -6.302 -13.800 1.00 0.00 O ATOM 0 H GLY A 75 105.970 -5.138 -13.897 1.00 0.00 H new ATOM 0 HA2 GLY A 75 105.150 -7.805 -13.626 1.00 0.00 H new ATOM 0 HA3 GLY A 75 105.421 -7.531 -15.336 1.00 0.00 H new ATOM 1224 N GLY A 76 107.704 -8.506 -14.292 1.00 0.00 N ATOM 1225 CA GLY A 76 109.131 -8.760 -14.111 1.00 0.00 C ATOM 1226 C GLY A 76 109.578 -8.364 -12.709 1.00 0.00 C ATOM 1227 O GLY A 76 110.727 -7.983 -12.559 1.00 0.00 O ATOM 1228 OXT GLY A 76 108.762 -8.446 -11.804 1.00 0.00 O ATOM 0 H GLY A 76 107.160 -9.327 -14.557 1.00 0.00 H new ATOM 0 HA2 GLY A 76 109.341 -9.816 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 76 109.701 -8.199 -14.851 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 117.543 -12.808 -7.766 1.00 0.00 N ATOM 1234 CA GLN B 198 116.724 -13.564 -6.780 1.00 0.00 C ATOM 1235 C GLN B 198 115.322 -12.965 -6.730 1.00 0.00 C ATOM 1236 O GLN B 198 115.037 -11.977 -7.411 1.00 0.00 O ATOM 1237 CB GLN B 198 117.382 -13.482 -5.400 1.00 0.00 C ATOM 1238 CG GLN B 198 118.710 -14.255 -5.410 1.00 0.00 C ATOM 1239 CD GLN B 198 119.410 -14.151 -4.046 1.00 0.00 C ATOM 1240 OE1 GLN B 198 118.861 -13.598 -3.087 1.00 0.00 O ATOM 1241 NE2 GLN B 198 120.604 -14.654 -3.902 1.00 0.00 N ATOM 0 HA GLN B 198 116.657 -14.610 -7.078 1.00 0.00 H new ATOM 0 HB2 GLN B 198 117.559 -12.440 -5.133 1.00 0.00 H new ATOM 0 HB3 GLN B 198 116.715 -13.896 -4.644 1.00 0.00 H new ATOM 0 HG2 GLN B 198 118.525 -15.302 -5.650 1.00 0.00 H new ATOM 0 HG3 GLN B 198 119.361 -13.859 -6.189 1.00 0.00 H new ATOM 0 HE21 GLN B 198 121.063 -15.112 -4.690 1.00 0.00 H new ATOM 0 HE22 GLN B 198 121.079 -14.590 -3.002 1.00 0.00 H new ATOM 1250 N VAL B 199 114.454 -13.576 -5.921 1.00 0.00 N ATOM 1251 CA VAL B 199 113.072 -13.109 -5.782 1.00 0.00 C ATOM 1252 C VAL B 199 112.839 -12.622 -4.354 1.00 0.00 C ATOM 1253 O VAL B 199 113.195 -13.304 -3.390 1.00 0.00 O ATOM 1254 CB VAL B 199 112.083 -14.247 -6.121 1.00 0.00 C ATOM 1255 CG1 VAL B 199 110.638 -13.736 -6.038 1.00 0.00 C ATOM 1256 CG2 VAL B 199 112.344 -14.761 -7.542 1.00 0.00 C ATOM 0 H VAL B 199 114.682 -14.393 -5.354 1.00 0.00 H new ATOM 0 HA VAL B 199 112.904 -12.286 -6.477 1.00 0.00 H new ATOM 0 HB VAL B 199 112.227 -15.054 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL B 199 109.951 -14.547 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL B 199 110.436 -13.377 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL B 199 110.499 -12.920 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL B 199 111.643 -15.563 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL B 199 112.211 -13.946 -8.254 1.00 0.00 H new ATOM 0 HG23 VAL B 199 113.364 -15.140 -7.610 1.00 0.00 H new ATOM 1266 N THR B 200 112.238 -11.441 -4.240 1.00 0.00 N ATOM 1267 CA THR B 200 111.949 -10.847 -2.938 1.00 0.00 C ATOM 1268 C THR B 200 110.608 -11.348 -2.414 1.00 0.00 C ATOM 1269 O THR B 200 109.815 -11.926 -3.162 1.00 0.00 O ATOM 1270 CB THR B 200 111.922 -9.318 -3.051 1.00 0.00 C ATOM 1271 OG1 THR B 200 110.913 -8.935 -3.975 1.00 0.00 O ATOM 1272 CG2 THR B 200 113.282 -8.802 -3.535 1.00 0.00 C ATOM 0 H THR B 200 111.941 -10.875 -5.035 1.00 0.00 H new ATOM 0 HA THR B 200 112.734 -11.140 -2.241 1.00 0.00 H new ATOM 0 HB THR B 200 111.709 -8.889 -2.072 1.00 0.00 H new ATOM 0 HG1 THR B 200 110.784 -7.964 -3.934 1.00 0.00 H new ATOM 0 HG21 THR B 200 113.252 -7.715 -3.612 1.00 0.00 H new ATOM 0 HG22 THR B 200 114.056 -9.095 -2.825 1.00 0.00 H new ATOM 0 HG23 THR B 200 113.506 -9.229 -4.513 1.00 0.00 H new ATOM 1280 N LYS B 201 110.364 -11.113 -1.125 1.00 0.00 N ATOM 1281 CA LYS B 201 109.118 -11.530 -0.491 1.00 0.00 C ATOM 1282 C LYS B 201 108.595 -10.430 0.425 1.00 0.00 C ATOM 1283 O LYS B 201 109.372 -9.651 0.985 1.00 0.00 O ATOM 1284 CB LYS B 201 109.337 -12.821 0.298 1.00 0.00 C ATOM 1285 CG LYS B 201 109.544 -13.981 -0.682 1.00 0.00 C ATOM 1286 CD LYS B 201 109.858 -15.259 0.094 1.00 0.00 C ATOM 1287 CE LYS B 201 109.946 -16.437 -0.877 1.00 0.00 C ATOM 1288 NZ LYS B 201 111.235 -16.370 -1.620 1.00 0.00 N ATOM 0 H LYS B 201 111.014 -10.636 -0.501 1.00 0.00 H new ATOM 0 HA LYS B 201 108.375 -11.715 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.205 -12.720 0.950 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.478 -13.020 0.939 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.649 -14.122 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.360 -13.750 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.799 -15.148 0.633 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.084 -15.445 0.838 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.876 -17.378 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS B 201 109.109 -16.410 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 111.343 -17.223 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.241 -15.528 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 112.023 -16.313 -0.944 1.00 0.00 H new ATOM 1302 N VAL B 202 107.275 -10.386 0.567 1.00 0.00 N ATOM 1303 CA VAL B 202 106.620 -9.387 1.414 1.00 0.00 C ATOM 1304 C VAL B 202 105.465 -10.019 2.179 1.00 0.00 C ATOM 1305 O VAL B 202 104.691 -10.797 1.618 1.00 0.00 O ATOM 1306 CB VAL B 202 106.116 -8.205 0.568 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.310 -7.475 -0.057 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.185 -8.704 -0.548 1.00 0.00 C ATOM 0 H VAL B 202 106.633 -11.031 0.106 1.00 0.00 H new ATOM 0 HA VAL B 202 107.351 -9.011 2.130 1.00 0.00 H new ATOM 0 HB VAL B 202 105.562 -7.523 1.214 1.00 0.00 H new ATOM 0 HG11 VAL B 202 106.952 -6.638 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL B 202 107.963 -7.103 0.733 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.866 -8.164 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.837 -7.856 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.728 -9.396 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.329 -9.215 -0.107 1.00 0.00 H new ATOM 1318 N ASP B 203 105.368 -9.682 3.464 1.00 0.00 N ATOM 1319 CA ASP B 203 104.317 -10.218 4.325 1.00 0.00 C ATOM 1320 C ASP B 203 102.965 -9.598 3.978 1.00 0.00 C ATOM 1321 O ASP B 203 102.908 -8.465 3.492 1.00 0.00 O ATOM 1322 CB ASP B 203 104.655 -9.931 5.785 1.00 0.00 C ATOM 1323 CG ASP B 203 105.900 -10.708 6.200 1.00 0.00 C ATOM 1324 OD1 ASP B 203 105.947 -11.898 5.938 1.00 0.00 O ATOM 1325 OD2 ASP B 203 106.789 -10.099 6.772 1.00 0.00 O ATOM 0 H ASP B 203 106.006 -9.039 3.932 1.00 0.00 H new ATOM 0 HA ASP B 203 104.254 -11.295 4.168 1.00 0.00 H new ATOM 0 HB2 ASP B 203 104.821 -8.863 5.924 1.00 0.00 H new ATOM 0 HB3 ASP B 203 103.815 -10.209 6.422 1.00 0.00 H new ATOM 1330 N CYS B 204 101.879 -10.339 4.244 1.00 0.00 N ATOM 1331 CA CYS B 204 100.536 -9.831 3.963 1.00 0.00 C ATOM 1332 C CYS B 204 99.969 -9.105 5.202 1.00 0.00 C ATOM 1333 O CYS B 204 99.814 -9.728 6.248 1.00 0.00 O ATOM 1334 CB CYS B 204 99.585 -10.960 3.558 1.00 0.00 C ATOM 1335 SG CYS B 204 97.962 -10.277 3.110 1.00 0.00 S ATOM 0 H CYS B 204 101.906 -11.276 4.646 1.00 0.00 H new ATOM 0 HA CYS B 204 100.616 -9.131 3.131 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.001 -11.512 2.715 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.476 -11.667 4.380 1.00 0.00 H new ATOM 1340 N PRO B 205 99.648 -7.817 5.128 1.00 0.00 N ATOM 1341 CA PRO B 205 99.081 -7.063 6.303 1.00 0.00 C ATOM 1342 C PRO B 205 97.666 -7.538 6.686 1.00 0.00 C ATOM 1343 O PRO B 205 97.145 -7.181 7.745 1.00 0.00 O ATOM 1344 CB PRO B 205 99.051 -5.599 5.832 1.00 0.00 C ATOM 1345 CG PRO B 205 99.840 -5.543 4.564 1.00 0.00 C ATOM 1346 CD PRO B 205 99.775 -6.930 3.956 1.00 0.00 C ATOM 0 HA PRO B 205 99.682 -7.216 7.199 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.026 -5.266 5.666 1.00 0.00 H new ATOM 0 HB3 PRO B 205 99.482 -4.940 6.586 1.00 0.00 H new ATOM 0 HG2 PRO B 205 99.426 -4.800 3.882 1.00 0.00 H new ATOM 0 HG3 PRO B 205 100.872 -5.254 4.762 1.00 0.00 H new ATOM 0 HD2 PRO B 205 98.925 -7.033 3.282 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.670 -7.156 3.377 1.00 0.00 H new ATOM 1354 N VAL B 206 97.057 -8.317 5.794 1.00 0.00 N ATOM 1355 CA VAL B 206 95.696 -8.832 5.976 1.00 0.00 C ATOM 1356 C VAL B 206 95.687 -10.146 6.738 1.00 0.00 C ATOM 1357 O VAL B 206 94.921 -10.331 7.687 1.00 0.00 O ATOM 1358 CB VAL B 206 95.075 -9.141 4.596 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.577 -9.463 4.731 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.274 -7.975 3.619 1.00 0.00 C ATOM 0 H VAL B 206 97.493 -8.611 4.920 1.00 0.00 H new ATOM 0 HA VAL B 206 95.142 -8.071 6.526 1.00 0.00 H new ATOM 0 HB VAL B 206 95.589 -10.014 4.195 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.161 -9.677 3.747 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.448 -10.332 5.376 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.059 -8.608 5.166 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.825 -8.225 2.658 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.798 -7.080 4.019 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.340 -7.791 3.485 1.00 0.00 H new ATOM 1370 N CYS B 207 96.489 -11.081 6.239 1.00 0.00 N ATOM 1371 CA CYS B 207 96.532 -12.423 6.781 1.00 0.00 C ATOM 1372 C CYS B 207 97.927 -12.822 7.264 1.00 0.00 C ATOM 1373 O CYS B 207 98.073 -13.801 7.996 1.00 0.00 O ATOM 1374 CB CYS B 207 96.019 -13.365 5.679 1.00 0.00 C ATOM 1375 SG CYS B 207 97.299 -13.691 4.433 1.00 0.00 S ATOM 0 H CYS B 207 97.121 -10.926 5.453 1.00 0.00 H new ATOM 0 HA CYS B 207 95.903 -12.484 7.669 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.696 -14.306 6.125 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.146 -12.923 5.198 1.00 0.00 H new ATOM 1380 N GLY B 208 98.941 -12.066 6.845 1.00 0.00 N ATOM 1381 CA GLY B 208 100.312 -12.350 7.239 1.00 0.00 C ATOM 1382 C GLY B 208 100.755 -13.706 6.715 1.00 0.00 C ATOM 1383 O GLY B 208 100.794 -14.687 7.459 1.00 0.00 O ATOM 0 H GLY B 208 98.835 -11.256 6.235 1.00 0.00 H new ATOM 0 HA2 GLY B 208 100.974 -11.573 6.855 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.394 -12.331 8.326 1.00 0.00 H new ATOM 1387 N VAL B 209 101.086 -13.743 5.425 1.00 0.00 N ATOM 1388 CA VAL B 209 101.537 -14.968 4.780 1.00 0.00 C ATOM 1389 C VAL B 209 102.758 -14.659 3.916 1.00 0.00 C ATOM 1390 O VAL B 209 102.810 -13.620 3.250 1.00 0.00 O ATOM 1391 CB VAL B 209 100.399 -15.579 3.936 1.00 0.00 C ATOM 1392 CG1 VAL B 209 100.912 -16.744 3.075 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.313 -16.102 4.877 1.00 0.00 C ATOM 0 H VAL B 209 101.049 -12.933 4.806 1.00 0.00 H new ATOM 0 HA VAL B 209 101.817 -15.700 5.537 1.00 0.00 H new ATOM 0 HB VAL B 209 100.003 -14.807 3.276 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.088 -17.155 2.491 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.690 -16.384 2.402 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.322 -17.521 3.721 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.503 -16.536 4.292 1.00 0.00 H new ATOM 0 HG22 VAL B 209 99.736 -16.863 5.533 1.00 0.00 H new ATOM 0 HG23 VAL B 209 98.926 -15.280 5.478 1.00 0.00 H new ATOM 1403 N ASN B 210 103.724 -15.576 3.931 1.00 0.00 N ATOM 1404 CA ASN B 210 104.933 -15.410 3.140 1.00 0.00 C ATOM 1405 C ASN B 210 104.571 -15.524 1.671 1.00 0.00 C ATOM 1406 O ASN B 210 104.078 -16.565 1.228 1.00 0.00 O ATOM 1407 CB ASN B 210 105.953 -16.483 3.510 1.00 0.00 C ATOM 1408 CG ASN B 210 107.358 -15.986 3.207 1.00 0.00 C ATOM 1409 OD1 ASN B 210 108.109 -16.648 2.492 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.760 -14.854 3.713 1.00 0.00 N ATOM 0 H ASN B 210 103.690 -16.435 4.480 1.00 0.00 H new ATOM 0 HA ASN B 210 105.373 -14.433 3.339 1.00 0.00 H new ATOM 0 HB2 ASN B 210 105.866 -16.731 4.568 1.00 0.00 H new ATOM 0 HB3 ASN B 210 105.752 -17.397 2.951 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.701 -14.513 3.517 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.133 -14.309 4.305 1.00 0.00 H new ATOM 1417 N ILE B 211 104.795 -14.441 0.928 1.00 0.00 N ATOM 1418 CA ILE B 211 104.466 -14.426 -0.497 1.00 0.00 C ATOM 1419 C ILE B 211 105.473 -13.563 -1.284 1.00 0.00 C ATOM 1420 O ILE B 211 105.855 -12.492 -0.806 1.00 0.00 O ATOM 1421 CB ILE B 211 103.032 -13.879 -0.725 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.011 -14.705 0.085 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.671 -13.971 -2.220 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.660 -13.989 0.128 1.00 0.00 C ATOM 0 H ILE B 211 105.197 -13.573 1.283 1.00 0.00 H new ATOM 0 HA ILE B 211 104.519 -15.453 -0.858 1.00 0.00 H new ATOM 0 HB ILE B 211 103.001 -12.840 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE B 211 101.893 -15.691 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.381 -14.859 1.099 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.663 -13.586 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.379 -13.381 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.715 -15.012 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE B 211 99.951 -14.584 0.703 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.780 -13.013 0.599 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.285 -13.858 -0.887 1.00 0.00 H new ATOM 1436 N PRO B 212 105.881 -13.976 -2.489 1.00 0.00 N ATOM 1437 CA PRO B 212 106.816 -13.169 -3.325 1.00 0.00 C ATOM 1438 C PRO B 212 106.265 -11.766 -3.557 1.00 0.00 C ATOM 1439 O PRO B 212 105.052 -11.547 -3.468 1.00 0.00 O ATOM 1440 CB PRO B 212 106.917 -13.949 -4.644 1.00 0.00 C ATOM 1441 CG PRO B 212 106.512 -15.343 -4.317 1.00 0.00 C ATOM 1442 CD PRO B 212 105.518 -15.245 -3.173 1.00 0.00 C ATOM 0 HA PRO B 212 107.788 -13.033 -2.850 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.265 -13.519 -5.404 1.00 0.00 H new ATOM 0 HB3 PRO B 212 107.932 -13.919 -5.041 1.00 0.00 H new ATOM 0 HG2 PRO B 212 106.061 -15.829 -5.182 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.377 -15.941 -4.030 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.491 -15.222 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.599 -16.099 -2.500 1.00 0.00 H new ATOM 1450 N GLU B 213 107.161 -10.824 -3.847 1.00 0.00 N ATOM 1451 CA GLU B 213 106.755 -9.437 -4.090 1.00 0.00 C ATOM 1452 C GLU B 213 105.914 -9.326 -5.369 1.00 0.00 C ATOM 1453 O GLU B 213 105.217 -8.330 -5.567 1.00 0.00 O ATOM 1454 CB GLU B 213 107.994 -8.541 -4.197 1.00 0.00 C ATOM 1455 CG GLU B 213 107.566 -7.063 -4.225 1.00 0.00 C ATOM 1456 CD GLU B 213 108.779 -6.125 -4.284 1.00 0.00 C ATOM 1457 OE1 GLU B 213 109.868 -6.584 -4.600 1.00 0.00 O ATOM 1458 OE2 GLU B 213 108.597 -4.951 -4.004 1.00 0.00 O ATOM 0 H GLU B 213 108.165 -10.991 -3.919 1.00 0.00 H new ATOM 0 HA GLU B 213 106.143 -9.107 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.659 -8.721 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.554 -8.785 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.926 -6.885 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.974 -6.838 -3.338 1.00 0.00 H new ATOM 1465 N SER B 214 106.002 -10.338 -6.237 1.00 0.00 N ATOM 1466 CA SER B 214 105.258 -10.343 -7.490 1.00 0.00 C ATOM 1467 C SER B 214 103.867 -10.947 -7.299 1.00 0.00 C ATOM 1468 O SER B 214 102.877 -10.416 -7.806 1.00 0.00 O ATOM 1469 CB SER B 214 106.025 -11.154 -8.535 1.00 0.00 C ATOM 1470 OG SER B 214 106.203 -12.482 -8.059 1.00 0.00 O ATOM 0 H SER B 214 106.583 -11.163 -6.090 1.00 0.00 H new ATOM 0 HA SER B 214 105.144 -9.313 -7.827 1.00 0.00 H new ATOM 0 HB2 SER B 214 105.479 -11.163 -9.478 1.00 0.00 H new ATOM 0 HB3 SER B 214 106.993 -10.693 -8.732 1.00 0.00 H new ATOM 0 HG SER B 214 106.693 -13.006 -8.727 1.00 0.00 H new ATOM 1476 N HIS B 215 103.810 -12.058 -6.563 1.00 0.00 N ATOM 1477 CA HIS B 215 102.537 -12.751 -6.307 1.00 0.00 C ATOM 1478 C HIS B 215 101.671 -12.003 -5.288 1.00 0.00 C ATOM 1479 O HIS B 215 100.504 -12.356 -5.091 1.00 0.00 O ATOM 1480 CB HIS B 215 102.822 -14.163 -5.772 1.00 0.00 C ATOM 1481 CG HIS B 215 103.052 -15.112 -6.913 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.294 -15.270 -7.507 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.202 -15.947 -7.591 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.157 -16.168 -8.496 1.00 0.00 C ATOM 1485 NE2 HIS B 215 102.901 -16.613 -8.591 1.00 0.00 N ATOM 0 H HIS B 215 104.623 -12.499 -6.134 1.00 0.00 H new ATOM 0 HA HIS B 215 101.992 -12.796 -7.250 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.697 -14.144 -5.123 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.983 -14.507 -5.167 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.150 -16.069 -7.380 1.00 0.00 H new ATOM 0 HE1 HIS B 215 104.964 -16.491 -9.137 1.00 0.00 H new ATOM 0 HE2 HIS B 215 102.534 -17.295 -9.255 1.00 0.00 H new ATOM 1493 N ILE B 216 102.244 -10.985 -4.639 1.00 0.00 N ATOM 1494 CA ILE B 216 101.518 -10.213 -3.638 1.00 0.00 C ATOM 1495 C ILE B 216 100.345 -9.452 -4.263 1.00 0.00 C ATOM 1496 O ILE B 216 99.291 -9.311 -3.639 1.00 0.00 O ATOM 1497 CB ILE B 216 102.482 -9.237 -2.929 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.777 -8.607 -1.714 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.949 -8.128 -3.894 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.650 -9.636 -0.584 1.00 0.00 C ATOM 0 H ILE B 216 103.206 -10.681 -4.791 1.00 0.00 H new ATOM 0 HA ILE B 216 101.106 -10.905 -2.904 1.00 0.00 H new ATOM 0 HB ILE B 216 103.358 -9.794 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.340 -7.741 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.789 -8.249 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.627 -7.453 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.466 -8.577 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE B 216 102.084 -7.569 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.150 -9.179 0.270 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.067 -10.489 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.643 -9.973 -0.285 1.00 0.00 H new ATOM 1512 N ASN B 217 100.552 -8.945 -5.484 1.00 0.00 N ATOM 1513 CA ASN B 217 99.517 -8.176 -6.166 1.00 0.00 C ATOM 1514 C ASN B 217 98.266 -9.026 -6.364 1.00 0.00 C ATOM 1515 O ASN B 217 97.155 -8.578 -6.062 1.00 0.00 O ATOM 1516 CB ASN B 217 100.037 -7.704 -7.530 1.00 0.00 C ATOM 1517 CG ASN B 217 101.322 -6.897 -7.356 1.00 0.00 C ATOM 1518 OD1 ASN B 217 101.446 -6.118 -6.414 1.00 0.00 O ATOM 1519 ND2 ASN B 217 102.292 -7.038 -8.218 1.00 0.00 N ATOM 0 H ASN B 217 101.418 -9.054 -6.011 1.00 0.00 H new ATOM 0 HA ASN B 217 99.263 -7.312 -5.552 1.00 0.00 H new ATOM 0 HB2 ASN B 217 100.224 -8.564 -8.173 1.00 0.00 H new ATOM 0 HB3 ASN B 217 99.281 -7.094 -8.024 1.00 0.00 H new ATOM 0 HD21 ASN B 217 103.153 -6.502 -8.109 1.00 0.00 H new ATOM 0 HD22 ASN B 217 102.189 -7.685 -9.000 1.00 0.00 H new ATOM 1526 N LYS B 218 98.461 -10.255 -6.842 1.00 0.00 N ATOM 1527 CA LYS B 218 97.344 -11.175 -7.049 1.00 0.00 C ATOM 1528 C LYS B 218 96.769 -11.617 -5.711 1.00 0.00 C ATOM 1529 O LYS B 218 95.550 -11.655 -5.531 1.00 0.00 O ATOM 1530 CB LYS B 218 97.796 -12.399 -7.844 1.00 0.00 C ATOM 1531 CG LYS B 218 98.149 -11.978 -9.271 1.00 0.00 C ATOM 1532 CD LYS B 218 98.634 -13.198 -10.057 1.00 0.00 C ATOM 1533 CE LYS B 218 99.029 -12.765 -11.469 1.00 0.00 C ATOM 1534 NZ LYS B 218 97.808 -12.351 -12.215 1.00 0.00 N ATOM 0 H LYS B 218 99.375 -10.634 -7.091 1.00 0.00 H new ATOM 0 HA LYS B 218 96.573 -10.652 -7.615 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.660 -12.858 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS B 218 97.005 -13.148 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS B 218 97.278 -11.541 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS B 218 98.924 -11.211 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS B 218 99.486 -13.655 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.848 -13.952 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS B 218 99.739 -11.939 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS B 218 99.526 -13.585 -11.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 98.013 -12.333 -13.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 97.041 -13.028 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 97.516 -11.402 -11.904 1.00 0.00 H new ATOM 1548 N HIS B 219 97.663 -11.956 -4.778 1.00 0.00 N ATOM 1549 CA HIS B 219 97.241 -12.407 -3.456 1.00 0.00 C ATOM 1550 C HIS B 219 96.350 -11.361 -2.786 1.00 0.00 C ATOM 1551 O HIS B 219 95.376 -11.723 -2.129 1.00 0.00 O ATOM 1552 CB HIS B 219 98.455 -12.723 -2.559 1.00 0.00 C ATOM 1553 CG HIS B 219 97.972 -13.041 -1.161 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.276 -14.198 -0.856 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.003 -12.304 -0.011 1.00 0.00 C ATOM 1556 CE1 HIS B 219 96.910 -14.117 0.438 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.332 -12.978 1.001 1.00 0.00 N ATOM 0 H HIS B 219 98.673 -11.926 -4.915 1.00 0.00 H new ATOM 0 HA HIS B 219 96.667 -13.324 -3.589 1.00 0.00 H new ATOM 0 HB2 HIS B 219 99.012 -13.567 -2.965 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.137 -11.873 -2.536 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.077 -14.969 -1.493 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.479 -11.340 0.095 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.346 -14.877 0.957 1.00 0.00 H new ATOM 1564 N LEU B 220 96.699 -10.086 -2.929 1.00 0.00 N ATOM 1565 CA LEU B 220 95.917 -9.026 -2.298 1.00 0.00 C ATOM 1566 C LEU B 220 94.474 -9.066 -2.785 1.00 0.00 C ATOM 1567 O LEU B 220 93.546 -8.871 -2.000 1.00 0.00 O ATOM 1568 CB LEU B 220 96.530 -7.653 -2.601 1.00 0.00 C ATOM 1569 CG LEU B 220 97.728 -7.395 -1.674 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.526 -6.203 -2.202 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.227 -7.080 -0.256 1.00 0.00 C ATOM 0 H LEU B 220 97.504 -9.764 -3.466 1.00 0.00 H new ATOM 0 HA LEU B 220 95.931 -9.189 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.850 -7.610 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.781 -6.873 -2.466 1.00 0.00 H new ATOM 0 HG LEU B 220 98.361 -8.282 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.377 -6.016 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.883 -6.421 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.887 -5.320 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.079 -6.898 0.399 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.593 -6.193 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.653 -7.925 0.123 1.00 0.00 H new ATOM 1583 N ASP B 221 94.299 -9.337 -4.074 1.00 0.00 N ATOM 1584 CA ASP B 221 92.967 -9.424 -4.664 1.00 0.00 C ATOM 1585 C ASP B 221 92.161 -10.561 -4.028 1.00 0.00 C ATOM 1586 O ASP B 221 90.948 -10.438 -3.838 1.00 0.00 O ATOM 1587 CB ASP B 221 93.090 -9.662 -6.169 1.00 0.00 C ATOM 1588 CG ASP B 221 91.717 -9.582 -6.823 1.00 0.00 C ATOM 1589 OD1 ASP B 221 91.071 -8.559 -6.677 1.00 0.00 O ATOM 1590 OD2 ASP B 221 91.332 -10.546 -7.464 1.00 0.00 O ATOM 0 H ASP B 221 95.062 -9.500 -4.731 1.00 0.00 H new ATOM 0 HA ASP B 221 92.444 -8.486 -4.479 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.756 -8.920 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP B 221 93.534 -10.640 -6.356 1.00 0.00 H new ATOM 1595 N SER B 222 92.847 -11.663 -3.698 1.00 0.00 N ATOM 1596 CA SER B 222 92.201 -12.822 -3.076 1.00 0.00 C ATOM 1597 C SER B 222 91.920 -12.574 -1.589 1.00 0.00 C ATOM 1598 O SER B 222 90.832 -12.873 -1.093 1.00 0.00 O ATOM 1599 CB SER B 222 93.094 -14.055 -3.225 1.00 0.00 C ATOM 1600 OG SER B 222 92.609 -15.095 -2.385 1.00 0.00 O ATOM 0 H SER B 222 93.849 -11.775 -3.852 1.00 0.00 H new ATOM 0 HA SER B 222 91.250 -12.988 -3.582 1.00 0.00 H new ATOM 0 HB2 SER B 222 93.104 -14.386 -4.263 1.00 0.00 H new ATOM 0 HB3 SER B 222 94.122 -13.807 -2.959 1.00 0.00 H new ATOM 0 HG SER B 222 93.180 -15.886 -2.481 1.00 0.00 H new ATOM 1606 N CYS B 223 92.923 -12.038 -0.893 1.00 0.00 N ATOM 1607 CA CYS B 223 92.824 -11.751 0.539 1.00 0.00 C ATOM 1608 C CYS B 223 91.743 -10.709 0.809 1.00 0.00 C ATOM 1609 O CYS B 223 90.970 -10.832 1.761 1.00 0.00 O ATOM 1610 CB CYS B 223 94.183 -11.243 1.045 1.00 0.00 C ATOM 1611 SG CYS B 223 94.481 -11.837 2.731 1.00 0.00 S ATOM 0 H CYS B 223 93.824 -11.791 -1.304 1.00 0.00 H new ATOM 0 HA CYS B 223 92.552 -12.665 1.067 1.00 0.00 H new ATOM 0 HB2 CYS B 223 94.978 -11.588 0.384 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.203 -10.153 1.026 1.00 0.00 H new ATOM 1616 N LEU B 224 91.705 -9.687 -0.041 1.00 0.00 N ATOM 1617 CA LEU B 224 90.724 -8.615 0.090 1.00 0.00 C ATOM 1618 C LEU B 224 89.308 -9.154 -0.097 1.00 0.00 C ATOM 1619 O LEU B 224 88.392 -8.765 0.631 1.00 0.00 O ATOM 1620 CB LEU B 224 91.018 -7.518 -0.940 1.00 0.00 C ATOM 1621 CG LEU B 224 92.299 -6.769 -0.542 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.803 -5.950 -1.730 1.00 0.00 C ATOM 1623 CD2 LEU B 224 92.004 -5.821 0.629 1.00 0.00 C ATOM 0 H LEU B 224 92.343 -9.579 -0.829 1.00 0.00 H new ATOM 0 HA LEU B 224 90.796 -8.193 1.092 1.00 0.00 H new ATOM 0 HB2 LEU B 224 91.134 -7.957 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU B 224 90.180 -6.823 -0.995 1.00 0.00 H new ATOM 0 HG LEU B 224 93.057 -7.494 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.712 -5.419 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU B 224 93.017 -6.616 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU B 224 92.040 -5.230 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.916 -5.292 0.908 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.243 -5.100 0.331 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.644 -6.397 1.481 1.00 0.00 H new ATOM 1635 N SER B 225 89.144 -10.056 -1.068 1.00 0.00 N ATOM 1636 CA SER B 225 87.840 -10.660 -1.341 1.00 0.00 C ATOM 1637 C SER B 225 87.325 -11.423 -0.121 1.00 0.00 C ATOM 1638 O SER B 225 86.122 -11.428 0.152 1.00 0.00 O ATOM 1639 CB SER B 225 87.937 -11.617 -2.532 1.00 0.00 C ATOM 1640 OG SER B 225 88.465 -10.923 -3.653 1.00 0.00 O ATOM 0 H SER B 225 89.896 -10.382 -1.675 1.00 0.00 H new ATOM 0 HA SER B 225 87.142 -9.856 -1.575 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.576 -12.464 -2.281 1.00 0.00 H new ATOM 0 HB3 SER B 225 86.952 -12.020 -2.770 1.00 0.00 H new ATOM 0 HG SER B 225 89.437 -11.046 -3.686 1.00 0.00 H new ATOM 1646 N ARG B 226 88.246 -12.065 0.606 1.00 0.00 N ATOM 1647 CA ARG B 226 87.882 -12.833 1.795 1.00 0.00 C ATOM 1648 C ARG B 226 87.206 -11.922 2.810 1.00 0.00 C ATOM 1649 O ARG B 226 86.182 -12.279 3.398 1.00 0.00 O ATOM 1650 CB ARG B 226 89.136 -13.453 2.422 1.00 0.00 C ATOM 1651 CG ARG B 226 89.666 -14.572 1.517 1.00 0.00 C ATOM 1652 CD ARG B 226 90.981 -15.113 2.082 1.00 0.00 C ATOM 1653 NE ARG B 226 90.747 -15.748 3.383 1.00 0.00 N ATOM 1654 CZ ARG B 226 90.365 -17.034 3.503 1.00 0.00 C ATOM 1655 NH1 ARG B 226 90.179 -17.801 2.452 1.00 0.00 N ATOM 1656 NH2 ARG B 226 90.170 -17.530 4.692 1.00 0.00 N ATOM 0 H ARG B 226 89.243 -12.067 0.391 1.00 0.00 H new ATOM 0 HA ARG B 226 87.194 -13.627 1.505 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.902 -12.689 2.559 1.00 0.00 H new ATOM 0 HB3 ARG B 226 88.902 -13.851 3.410 1.00 0.00 H new ATOM 0 HG2 ARG B 226 88.932 -15.375 1.447 1.00 0.00 H new ATOM 0 HG3 ARG B 226 89.822 -14.193 0.507 1.00 0.00 H new ATOM 0 HD2 ARG B 226 91.414 -15.834 1.389 1.00 0.00 H new ATOM 0 HD3 ARG B 226 91.701 -14.302 2.189 1.00 0.00 H new ATOM 0 HE ARG B 226 90.879 -15.194 4.230 1.00 0.00 H new ATOM 0 HH11 ARG B 226 90.324 -17.426 1.515 1.00 0.00 H new ATOM 0 HH12 ARG B 226 89.890 -18.771 2.574 1.00 0.00 H new ATOM 0 HH21 ARG B 226 90.307 -16.946 5.517 1.00 0.00 H new ATOM 0 HH22 ARG B 226 89.881 -18.502 4.798 1.00 0.00 H new ATOM 1670 N GLU B 227 87.797 -10.741 3.011 1.00 0.00 N ATOM 1671 CA GLU B 227 87.266 -9.766 3.962 1.00 0.00 C ATOM 1672 C GLU B 227 85.768 -9.565 3.745 1.00 0.00 C ATOM 1673 O GLU B 227 84.987 -9.608 4.699 1.00 0.00 O ATOM 1674 CB GLU B 227 87.992 -8.431 3.790 1.00 0.00 C ATOM 1675 CG GLU B 227 87.662 -7.513 4.974 1.00 0.00 C ATOM 1676 CD GLU B 227 88.280 -8.057 6.269 1.00 0.00 C ATOM 1677 OE1 GLU B 227 87.708 -7.804 7.317 1.00 0.00 O ATOM 1678 OE2 GLU B 227 89.320 -8.700 6.204 1.00 0.00 O ATOM 0 H GLU B 227 88.643 -10.439 2.527 1.00 0.00 H new ATOM 0 HA GLU B 227 87.426 -10.143 4.972 1.00 0.00 H new ATOM 0 HB2 GLU B 227 89.068 -8.595 3.732 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.691 -7.959 2.855 1.00 0.00 H new ATOM 0 HG2 GLU B 227 88.039 -6.509 4.779 1.00 0.00 H new ATOM 0 HG3 GLU B 227 86.581 -7.431 5.087 1.00 0.00 H new ATOM 1685 N GLU B 228 85.377 -9.374 2.485 1.00 0.00 N ATOM 1686 CA GLU B 228 83.963 -9.194 2.144 1.00 0.00 C ATOM 1687 C GLU B 228 83.237 -10.547 2.092 1.00 0.00 C ATOM 1688 O GLU B 228 82.010 -10.598 2.205 1.00 0.00 O ATOM 1689 CB GLU B 228 83.843 -8.487 0.793 1.00 0.00 C ATOM 1690 CG GLU B 228 82.374 -8.131 0.513 1.00 0.00 C ATOM 1691 CD GLU B 228 82.233 -7.392 -0.824 1.00 0.00 C ATOM 1692 OE1 GLU B 228 83.227 -6.876 -1.322 1.00 0.00 O ATOM 1693 OE2 GLU B 228 81.128 -7.359 -1.339 1.00 0.00 O ATOM 0 H GLU B 228 86.013 -9.340 1.688 1.00 0.00 H new ATOM 0 HA GLU B 228 83.496 -8.583 2.917 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.451 -7.583 0.792 1.00 0.00 H new ATOM 0 HB3 GLU B 228 84.227 -9.131 0.001 1.00 0.00 H new ATOM 0 HG2 GLU B 228 81.773 -9.040 0.495 1.00 0.00 H new ATOM 0 HG3 GLU B 228 81.987 -7.508 1.319 1.00 0.00 H new ATOM 1700 N LYS B 229 84.000 -11.635 1.928 1.00 0.00 N ATOM 1701 CA LYS B 229 83.423 -12.975 1.877 1.00 0.00 C ATOM 1702 C LYS B 229 82.871 -13.371 3.250 1.00 0.00 C ATOM 1703 O LYS B 229 81.819 -14.006 3.342 1.00 0.00 O ATOM 1704 CB LYS B 229 84.484 -13.988 1.430 1.00 0.00 C ATOM 1705 CG LYS B 229 83.826 -15.351 1.206 1.00 0.00 C ATOM 1706 CD LYS B 229 84.865 -16.345 0.696 1.00 0.00 C ATOM 1707 CE LYS B 229 84.194 -17.699 0.467 1.00 0.00 C ATOM 1708 NZ LYS B 229 85.199 -18.667 -0.052 1.00 0.00 N ATOM 0 H LYS B 229 85.015 -11.609 1.829 1.00 0.00 H new ATOM 0 HA LYS B 229 82.605 -12.974 1.157 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.963 -13.648 0.512 1.00 0.00 H new ATOM 0 HB3 LYS B 229 85.266 -14.069 2.185 1.00 0.00 H new ATOM 0 HG2 LYS B 229 83.389 -15.712 2.137 1.00 0.00 H new ATOM 0 HG3 LYS B 229 83.012 -15.259 0.487 1.00 0.00 H new ATOM 0 HD2 LYS B 229 85.307 -15.983 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS B 229 85.676 -16.445 1.418 1.00 0.00 H new ATOM 0 HE2 LYS B 229 83.766 -18.067 1.399 1.00 0.00 H new ATOM 0 HE3 LYS B 229 83.373 -17.595 -0.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 84.744 -19.589 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 85.588 -18.316 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 85.968 -18.773 0.640 1.00 0.00 H new ATOM 1722 N LYS B 230 83.598 -12.998 4.308 1.00 0.00 N ATOM 1723 CA LYS B 230 83.189 -13.323 5.674 1.00 0.00 C ATOM 1724 C LYS B 230 81.906 -12.584 6.050 1.00 0.00 C ATOM 1725 O LYS B 230 80.859 -13.208 6.241 1.00 0.00 O ATOM 1726 CB LYS B 230 84.304 -12.965 6.660 1.00 0.00 C ATOM 1727 CG LYS B 230 85.499 -13.886 6.430 1.00 0.00 C ATOM 1728 CD LYS B 230 86.615 -13.527 7.414 1.00 0.00 C ATOM 1729 CE LYS B 230 87.795 -14.483 7.222 1.00 0.00 C ATOM 1730 NZ LYS B 230 88.564 -14.081 6.010 1.00 0.00 N ATOM 0 H LYS B 230 84.470 -12.472 4.243 1.00 0.00 H new ATOM 0 HA LYS B 230 82.997 -14.395 5.724 1.00 0.00 H new ATOM 0 HB2 LYS B 230 84.602 -11.925 6.527 1.00 0.00 H new ATOM 0 HB3 LYS B 230 83.945 -13.066 7.684 1.00 0.00 H new ATOM 0 HG2 LYS B 230 85.202 -14.926 6.564 1.00 0.00 H new ATOM 0 HG3 LYS B 230 85.857 -13.786 5.405 1.00 0.00 H new ATOM 0 HD2 LYS B 230 86.938 -12.498 7.254 1.00 0.00 H new ATOM 0 HD3 LYS B 230 86.246 -13.590 8.438 1.00 0.00 H new ATOM 0 HE2 LYS B 230 88.441 -14.462 8.100 1.00 0.00 H new ATOM 0 HE3 LYS B 230 87.435 -15.506 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 88.786 -14.925 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 87.995 -13.422 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 89.448 -13.615 6.298 1.00 0.00 H new ATOM 1744 N GLU B 231 81.996 -11.250 6.153 1.00 0.00 N ATOM 1745 CA GLU B 231 80.843 -10.415 6.508 1.00 0.00 C ATOM 1746 C GLU B 231 80.084 -11.023 7.704 1.00 0.00 C ATOM 1747 O GLU B 231 78.848 -11.104 7.713 1.00 0.00 O ATOM 1748 CB GLU B 231 79.919 -10.289 5.300 1.00 0.00 C ATOM 1749 CG GLU B 231 78.910 -9.156 5.533 1.00 0.00 C ATOM 1750 CD GLU B 231 78.041 -8.942 4.288 1.00 0.00 C ATOM 1751 OE1 GLU B 231 77.421 -7.899 4.210 1.00 0.00 O ATOM 1752 OE2 GLU B 231 77.991 -9.826 3.438 1.00 0.00 O ATOM 0 H GLU B 231 82.857 -10.727 5.995 1.00 0.00 H new ATOM 0 HA GLU B 231 81.194 -9.424 6.798 1.00 0.00 H new ATOM 0 HB2 GLU B 231 80.504 -10.088 4.402 1.00 0.00 H new ATOM 0 HB3 GLU B 231 79.392 -11.229 5.134 1.00 0.00 H new ATOM 0 HG2 GLU B 231 78.277 -9.395 6.388 1.00 0.00 H new ATOM 0 HG3 GLU B 231 79.439 -8.235 5.776 1.00 0.00 H new ATOM 1759 N SER B 232 80.844 -11.462 8.703 1.00 0.00 N ATOM 1760 CA SER B 232 80.256 -12.071 9.892 1.00 0.00 C ATOM 1761 C SER B 232 79.331 -11.082 10.601 1.00 0.00 C ATOM 1762 O SER B 232 79.768 -10.310 11.461 1.00 0.00 O ATOM 1763 CB SER B 232 81.359 -12.528 10.848 1.00 0.00 C ATOM 1764 OG SER B 232 82.057 -11.388 11.333 1.00 0.00 O ATOM 0 H SER B 232 81.863 -11.408 8.714 1.00 0.00 H new ATOM 0 HA SER B 232 79.670 -12.936 9.582 1.00 0.00 H new ATOM 0 HB2 SER B 232 80.928 -13.087 11.679 1.00 0.00 H new ATOM 0 HB3 SER B 232 82.047 -13.200 10.335 1.00 0.00 H new ATOM 0 HG SER B 232 81.417 -10.673 11.532 1.00 0.00 H new ATOM 1770 N LEU B 233 78.050 -11.122 10.239 1.00 0.00 N ATOM 1771 CA LEU B 233 77.048 -10.241 10.842 1.00 0.00 C ATOM 1772 C LEU B 233 75.958 -11.076 11.518 1.00 0.00 C ATOM 1773 O LEU B 233 74.768 -10.734 11.485 1.00 0.00 O ATOM 1774 CB LEU B 233 76.421 -9.356 9.766 1.00 0.00 C ATOM 1775 CG LEU B 233 77.445 -8.337 9.253 1.00 0.00 C ATOM 1776 CD1 LEU B 233 76.928 -7.706 7.957 1.00 0.00 C ATOM 1777 CD2 LEU B 233 77.653 -7.232 10.301 1.00 0.00 C ATOM 0 H LEU B 233 77.680 -11.755 9.530 1.00 0.00 H new ATOM 0 HA LEU B 233 77.533 -9.612 11.589 1.00 0.00 H new ATOM 0 HB2 LEU B 233 76.066 -9.972 8.940 1.00 0.00 H new ATOM 0 HB3 LEU B 233 75.553 -8.837 10.173 1.00 0.00 H new ATOM 0 HG LEU B 233 78.392 -8.844 9.068 1.00 0.00 H new ATOM 0 HD11 LEU B 233 77.655 -6.981 7.590 1.00 0.00 H new ATOM 0 HD12 LEU B 233 76.781 -8.483 7.207 1.00 0.00 H new ATOM 0 HD13 LEU B 233 75.980 -7.204 8.150 1.00 0.00 H new ATOM 0 HD21 LEU B 233 78.382 -6.511 9.930 1.00 0.00 H new ATOM 0 HD22 LEU B 233 76.706 -6.726 10.489 1.00 0.00 H new ATOM 0 HD23 LEU B 233 78.019 -7.674 11.228 1.00 0.00 H new ATOM 1789 N ARG B 234 76.380 -12.169 12.136 1.00 0.00 N ATOM 1790 CA ARG B 234 75.456 -13.065 12.835 1.00 0.00 C ATOM 1791 C ARG B 234 75.734 -13.094 14.341 1.00 0.00 C ATOM 1792 O ARG B 234 75.103 -13.860 15.075 1.00 0.00 O ATOM 1793 CB ARG B 234 75.578 -14.475 12.264 1.00 0.00 C ATOM 1794 CG ARG B 234 75.103 -14.482 10.809 1.00 0.00 C ATOM 1795 CD ARG B 234 75.303 -15.874 10.205 1.00 0.00 C ATOM 1796 NE ARG B 234 74.480 -16.859 10.916 1.00 0.00 N ATOM 1797 CZ ARG B 234 73.182 -17.071 10.627 1.00 0.00 C ATOM 1798 NH1 ARG B 234 72.569 -16.397 9.679 1.00 0.00 N ATOM 1799 NH2 ARG B 234 72.516 -17.965 11.303 1.00 0.00 N ATOM 0 H ARG B 234 77.357 -12.462 12.171 1.00 0.00 H new ATOM 0 HA ARG B 234 74.444 -12.689 12.685 1.00 0.00 H new ATOM 0 HB2 ARG B 234 76.613 -14.813 12.321 1.00 0.00 H new ATOM 0 HB3 ARG B 234 74.982 -15.171 12.855 1.00 0.00 H new ATOM 0 HG2 ARG B 234 74.051 -14.202 10.759 1.00 0.00 H new ATOM 0 HG3 ARG B 234 75.658 -13.742 10.232 1.00 0.00 H new ATOM 0 HD2 ARG B 234 75.036 -15.861 9.148 1.00 0.00 H new ATOM 0 HD3 ARG B 234 76.354 -16.157 10.265 1.00 0.00 H new ATOM 0 HE ARG B 234 74.910 -17.407 11.661 1.00 0.00 H new ATOM 0 HH11 ARG B 234 73.078 -15.694 9.143 1.00 0.00 H new ATOM 0 HH12 ARG B 234 71.585 -16.577 9.480 1.00 0.00 H new ATOM 0 HH21 ARG B 234 72.979 -18.495 12.042 1.00 0.00 H new ATOM 0 HH22 ARG B 234 71.532 -18.134 11.093 1.00 0.00 H new ATOM 1813 N SER B 235 76.679 -12.262 14.789 1.00 0.00 N ATOM 1814 CA SER B 235 77.042 -12.193 16.187 1.00 0.00 C ATOM 1815 C SER B 235 77.616 -10.820 16.503 1.00 0.00 C ATOM 1816 O SER B 235 78.017 -10.082 15.598 1.00 0.00 O ATOM 1817 CB SER B 235 78.074 -13.274 16.506 1.00 0.00 C ATOM 1818 OG SER B 235 79.146 -13.193 15.573 1.00 0.00 O ATOM 0 H SER B 235 77.204 -11.626 14.189 1.00 0.00 H new ATOM 0 HA SER B 235 76.154 -12.356 16.797 1.00 0.00 H new ATOM 0 HB2 SER B 235 78.450 -13.145 17.521 1.00 0.00 H new ATOM 0 HB3 SER B 235 77.611 -14.260 16.460 1.00 0.00 H new ATOM 0 HG SER B 235 79.810 -13.884 15.777 1.00 0.00 H new ATOM 1824 N SER B 236 77.653 -10.489 17.791 1.00 0.00 N ATOM 1825 CA SER B 236 78.184 -9.207 18.233 1.00 0.00 C ATOM 1826 C SER B 236 79.706 -9.251 18.272 1.00 0.00 C ATOM 1827 O SER B 236 80.307 -10.326 18.218 1.00 0.00 O ATOM 1828 CB SER B 236 77.635 -8.863 19.618 1.00 0.00 C ATOM 1829 OG SER B 236 78.393 -9.541 20.611 1.00 0.00 O ATOM 0 H SER B 236 77.322 -11.091 18.545 1.00 0.00 H new ATOM 0 HA SER B 236 77.874 -8.437 17.526 1.00 0.00 H new ATOM 0 HB2 SER B 236 77.682 -7.786 19.782 1.00 0.00 H new ATOM 0 HB3 SER B 236 76.586 -9.151 19.687 1.00 0.00 H new ATOM 0 HG SER B 236 77.804 -10.131 21.126 1.00 0.00 H new ATOM 1835 N VAL B 237 80.313 -8.073 18.375 1.00 0.00 N ATOM 1836 CA VAL B 237 81.771 -7.962 18.430 1.00 0.00 C ATOM 1837 C VAL B 237 82.268 -8.203 19.857 1.00 0.00 C ATOM 1838 O VAL B 237 81.764 -7.598 20.807 1.00 0.00 O ATOM 1839 CB VAL B 237 82.229 -6.571 17.947 1.00 0.00 C ATOM 1840 CG1 VAL B 237 81.797 -6.352 16.493 1.00 0.00 C ATOM 1841 CG2 VAL B 237 81.609 -5.472 18.826 1.00 0.00 C ATOM 0 H VAL B 237 79.821 -7.181 18.422 1.00 0.00 H new ATOM 0 HA VAL B 237 82.195 -8.719 17.771 1.00 0.00 H new ATOM 0 HB VAL B 237 83.316 -6.522 18.018 1.00 0.00 H new ATOM 0 HG11 VAL B 237 82.125 -5.367 16.160 1.00 0.00 H new ATOM 0 HG12 VAL B 237 82.247 -7.117 15.860 1.00 0.00 H new ATOM 0 HG13 VAL B 237 80.711 -6.416 16.422 1.00 0.00 H new ATOM 0 HG21 VAL B 237 81.940 -4.495 18.474 1.00 0.00 H new ATOM 0 HG22 VAL B 237 80.522 -5.529 18.768 1.00 0.00 H new ATOM 0 HG23 VAL B 237 81.925 -5.612 19.860 1.00 0.00 H new ATOM 1851 N HIS B 238 83.261 -9.081 19.991 1.00 0.00 N ATOM 1852 CA HIS B 238 83.841 -9.398 21.295 1.00 0.00 C ATOM 1853 C HIS B 238 85.351 -9.183 21.272 1.00 0.00 C ATOM 1854 O HIS B 238 86.005 -9.445 20.260 1.00 0.00 O ATOM 1855 CB HIS B 238 83.532 -10.851 21.670 1.00 0.00 C ATOM 1856 CG HIS B 238 82.084 -10.983 22.065 1.00 0.00 C ATOM 1857 ND1 HIS B 238 81.135 -11.541 21.226 1.00 0.00 N ATOM 1858 CD2 HIS B 238 81.414 -10.632 23.210 1.00 0.00 C ATOM 1859 CE1 HIS B 238 79.955 -11.515 21.874 1.00 0.00 C ATOM 1860 NE2 HIS B 238 80.069 -10.970 23.089 1.00 0.00 N ATOM 0 H HIS B 238 83.681 -9.586 19.211 1.00 0.00 H new ATOM 0 HA HIS B 238 83.401 -8.734 22.039 1.00 0.00 H new ATOM 0 HB2 HIS B 238 83.749 -11.507 20.827 1.00 0.00 H new ATOM 0 HB3 HIS B 238 84.173 -11.167 22.493 1.00 0.00 H new ATOM 0 HD2 HIS B 238 81.862 -10.164 24.074 1.00 0.00 H new ATOM 0 HE1 HIS B 238 79.029 -11.889 21.462 1.00 0.00 H new ATOM 0 HE2 HIS B 238 79.330 -10.832 23.779 1.00 0.00 H new ATOM 1868 N LYS B 239 85.894 -8.700 22.392 1.00 0.00 N ATOM 1869 CA LYS B 239 87.331 -8.444 22.503 1.00 0.00 C ATOM 1870 C LYS B 239 88.123 -9.740 22.358 1.00 0.00 C ATOM 1871 O LYS B 239 89.147 -9.775 21.672 1.00 0.00 O ATOM 1872 CB LYS B 239 87.645 -7.804 23.858 1.00 0.00 C ATOM 1873 CG LYS B 239 87.056 -6.394 23.908 1.00 0.00 C ATOM 1874 CD LYS B 239 87.372 -5.756 25.263 1.00 0.00 C ATOM 1875 CE LYS B 239 86.775 -4.347 25.314 1.00 0.00 C ATOM 1876 NZ LYS B 239 87.065 -3.733 26.641 1.00 0.00 N ATOM 0 H LYS B 239 85.361 -8.479 23.233 1.00 0.00 H new ATOM 0 HA LYS B 239 87.620 -7.764 21.702 1.00 0.00 H new ATOM 0 HB2 LYS B 239 87.231 -8.411 24.663 1.00 0.00 H new ATOM 0 HB3 LYS B 239 88.723 -7.764 24.012 1.00 0.00 H new ATOM 0 HG2 LYS B 239 87.470 -5.787 23.103 1.00 0.00 H new ATOM 0 HG3 LYS B 239 85.977 -6.433 23.755 1.00 0.00 H new ATOM 0 HD2 LYS B 239 86.963 -6.366 26.069 1.00 0.00 H new ATOM 0 HD3 LYS B 239 88.451 -5.711 25.414 1.00 0.00 H new ATOM 0 HE2 LYS B 239 87.195 -3.733 24.517 1.00 0.00 H new ATOM 0 HE3 LYS B 239 85.698 -4.390 25.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 86.660 -2.776 26.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 86.644 -4.315 27.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 88.094 -3.679 26.781 1.00 0.00 H new ATOM 1890 N ARG B 240 87.632 -10.798 23.004 1.00 0.00 N ATOM 1891 CA ARG B 240 88.288 -12.103 22.951 1.00 0.00 C ATOM 1892 C ARG B 240 88.272 -12.649 21.523 1.00 0.00 C ATOM 1893 O ARG B 240 89.302 -13.133 21.083 1.00 0.00 O ATOM 1894 CB ARG B 240 87.579 -13.084 23.890 1.00 0.00 C ATOM 1895 CG ARG B 240 87.877 -12.722 25.349 1.00 0.00 C ATOM 1896 CD ARG B 240 87.086 -13.650 26.275 1.00 0.00 C ATOM 1897 NE ARG B 240 87.539 -15.037 26.112 1.00 0.00 N ATOM 1898 CZ ARG B 240 88.595 -15.542 26.780 1.00 0.00 C ATOM 1899 NH1 ARG B 240 89.288 -14.810 27.623 1.00 0.00 N ATOM 1900 NH2 ARG B 240 88.937 -16.785 26.586 1.00 0.00 N ATOM 1901 OXT ARG B 240 87.231 -12.571 20.891 1.00 0.00 O ATOM 0 H ARG B 240 86.783 -10.776 23.569 1.00 0.00 H new ATOM 0 HA ARG B 240 89.323 -11.986 23.271 1.00 0.00 H new ATOM 0 HB2 ARG B 240 86.504 -13.057 23.713 1.00 0.00 H new ATOM 0 HB3 ARG B 240 87.911 -14.102 23.684 1.00 0.00 H new ATOM 0 HG2 ARG B 240 88.945 -12.816 25.548 1.00 0.00 H new ATOM 0 HG3 ARG B 240 87.607 -11.683 25.540 1.00 0.00 H new ATOM 0 HD2 ARG B 240 87.215 -13.337 27.311 1.00 0.00 H new ATOM 0 HD3 ARG B 240 86.022 -13.579 26.050 1.00 0.00 H new ATOM 0 HE ARG B 240 87.033 -15.644 25.466 1.00 0.00 H new ATOM 0 HH11 ARG B 240 89.031 -13.836 27.784 1.00 0.00 H new ATOM 0 HH12 ARG B 240 90.083 -15.216 28.116 1.00 0.00 H new ATOM 0 HH21 ARG B 240 88.407 -17.364 25.934 1.00 0.00 H new ATOM 0 HH22 ARG B 240 89.734 -17.179 27.086 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.771 -12.215 2.752 1.00 0.00 ZN