USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=23 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: A 55 THR OG1 : rot -63:sc= 0.0188 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -1.14 USER MOD Set 2.2: A 25 ASN : amide:sc= -1.41 X(o=-2.5,f=-2.3!) USER MOD Set 3.1: A 7 THR OG1 : rot 119:sc= 1.18 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.987 USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.107) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.05 (180deg=0.51) USER MOD Single : A 2 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.29) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -77:sc= 1.8 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= -0.314 (180deg=-0.491) USER MOD Single : A 31 GLN : amide:sc= -5.31 K(o=-5.3,f=-10!) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.0288 (180deg=-0.454) USER MOD Single : A 40 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= -3.09 K(o=-3.1,f=-0.86) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.09 K(o=-2.1,f=-3.3!) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.193 USER MOD Single : A 60 ASN : amide:sc= -0.838 K(o=-0.84,f=-0.33!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00918) USER MOD Single : A 65 SER OG : rot 100:sc= 0.774 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 198 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.75) USER MOD Single : B 200 THR OG1 : rot 180:sc= -0.102 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.735 K(o=-0.74,f=-4.1!) USER MOD Single : B 214 SER OG : rot 180:sc= -0.0141 USER MOD Single : B 215 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.15) USER MOD Single : B 217 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.7!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot -61:sc= 0.775 USER MOD Single : B 225 SER OG : rot 98:sc= 1.22 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 232 SER OG : rot 180:sc= 0 USER MOD Single : B 235 SER OG : rot 180:sc= 0 USER MOD Single : B 236 SER OG : rot 180:sc= 0 USER MOD Single : B 238 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 239 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.252 15.859 10.197 1.00 0.00 N ATOM 2 CA MET A 1 96.947 15.124 11.296 1.00 0.00 C ATOM 3 C MET A 1 98.173 14.412 10.738 1.00 0.00 C ATOM 4 O MET A 1 98.171 13.962 9.587 1.00 0.00 O ATOM 5 CB MET A 1 96.001 14.090 11.935 1.00 0.00 C ATOM 6 CG MET A 1 95.444 13.141 10.868 1.00 0.00 C ATOM 7 SD MET A 1 94.281 11.979 11.623 1.00 0.00 S ATOM 8 CE MET A 1 93.977 10.987 10.141 1.00 0.00 C ATOM 0 H1 MET A 1 95.223 15.789 10.330 1.00 0.00 H new ATOM 0 H2 MET A 1 96.537 16.859 10.214 1.00 0.00 H new ATOM 0 H3 MET A 1 96.512 15.441 9.281 1.00 0.00 H new ATOM 0 HA MET A 1 97.252 15.841 12.058 1.00 0.00 H new ATOM 0 HB2 MET A 1 96.536 13.519 12.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.181 14.601 12.439 1.00 0.00 H new ATOM 0 HG2 MET A 1 94.944 13.713 10.086 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.259 12.596 10.393 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.034 10.451 10.249 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.925 11.640 9.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.788 10.271 10.010 1.00 0.00 H new ATOM 20 N GLN A 2 99.207 14.312 11.574 1.00 0.00 N ATOM 21 CA GLN A 2 100.432 13.641 11.171 1.00 0.00 C ATOM 22 C GLN A 2 100.250 12.136 11.287 1.00 0.00 C ATOM 23 O GLN A 2 99.947 11.617 12.363 1.00 0.00 O ATOM 24 CB GLN A 2 101.608 14.085 12.045 1.00 0.00 C ATOM 25 CG GLN A 2 102.921 13.527 11.482 1.00 0.00 C ATOM 26 CD GLN A 2 104.104 14.115 12.242 1.00 0.00 C ATOM 27 OE1 GLN A 2 104.252 15.335 12.313 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.955 13.316 12.826 1.00 0.00 N ATOM 0 H GLN A 2 99.217 14.684 12.524 1.00 0.00 H new ATOM 0 HA GLN A 2 100.649 13.908 10.137 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.653 15.173 12.083 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.464 13.736 13.067 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.929 12.440 11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 2 103.003 13.767 10.422 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.830 12.306 12.766 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.745 13.702 13.343 1.00 0.00 H new ATOM 37 N ILE A 3 100.442 11.455 10.170 1.00 0.00 N ATOM 38 CA ILE A 3 100.310 10.007 10.116 1.00 0.00 C ATOM 39 C ILE A 3 101.595 9.414 9.568 1.00 0.00 C ATOM 40 O ILE A 3 102.415 10.132 8.992 1.00 0.00 O ATOM 41 CB ILE A 3 99.109 9.597 9.244 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.263 10.170 7.821 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.820 10.128 9.887 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.258 9.503 6.874 1.00 0.00 C ATOM 0 H ILE A 3 100.692 11.886 9.280 1.00 0.00 H new ATOM 0 HA ILE A 3 100.132 9.625 11.121 1.00 0.00 H new ATOM 0 HB ILE A 3 99.065 8.510 9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.102 11.248 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.279 10.004 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.964 9.842 9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.710 9.705 10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.869 11.215 9.957 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.375 9.914 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.440 8.429 6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.244 9.691 7.228 1.00 0.00 H new ATOM 56 N PHE A 4 101.769 8.115 9.762 1.00 0.00 N ATOM 57 CA PHE A 4 102.970 7.431 9.293 1.00 0.00 C ATOM 58 C PHE A 4 102.582 6.322 8.330 1.00 0.00 C ATOM 59 O PHE A 4 101.538 5.687 8.494 1.00 0.00 O ATOM 60 CB PHE A 4 103.731 6.822 10.478 1.00 0.00 C ATOM 61 CG PHE A 4 104.132 7.908 11.454 1.00 0.00 C ATOM 62 CD1 PHE A 4 105.323 8.617 11.263 1.00 0.00 C ATOM 63 CD2 PHE A 4 103.308 8.204 12.547 1.00 0.00 C ATOM 64 CE1 PHE A 4 105.691 9.623 12.165 1.00 0.00 C ATOM 65 CE2 PHE A 4 103.676 9.210 13.449 1.00 0.00 C ATOM 66 CZ PHE A 4 104.867 9.919 13.257 1.00 0.00 C ATOM 0 H PHE A 4 101.098 7.513 10.239 1.00 0.00 H new ATOM 0 HA PHE A 4 103.610 8.154 8.788 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.106 6.084 10.980 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.618 6.299 10.120 1.00 0.00 H new ATOM 0 HD1 PHE A 4 105.958 8.388 10.420 1.00 0.00 H new ATOM 0 HD2 PHE A 4 102.389 7.656 12.694 1.00 0.00 H new ATOM 0 HE1 PHE A 4 106.610 10.170 12.018 1.00 0.00 H new ATOM 0 HE2 PHE A 4 103.041 9.438 14.292 1.00 0.00 H new ATOM 0 HZ PHE A 4 105.151 10.695 13.952 1.00 0.00 H new ATOM 76 N VAL A 5 103.431 6.089 7.333 1.00 0.00 N ATOM 77 CA VAL A 5 103.184 5.038 6.350 1.00 0.00 C ATOM 78 C VAL A 5 104.417 4.144 6.293 1.00 0.00 C ATOM 79 O VAL A 5 105.549 4.637 6.298 1.00 0.00 O ATOM 80 CB VAL A 5 102.851 5.639 4.968 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.551 4.520 3.963 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.623 6.555 5.083 1.00 0.00 C ATOM 0 H VAL A 5 104.294 6.612 7.184 1.00 0.00 H new ATOM 0 HA VAL A 5 102.318 4.445 6.645 1.00 0.00 H new ATOM 0 HB VAL A 5 103.709 6.215 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.317 4.956 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.422 3.872 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.700 3.936 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.391 6.977 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.770 5.977 5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.835 7.361 5.785 1.00 0.00 H new ATOM 92 N LYS A 6 104.188 2.834 6.252 1.00 0.00 N ATOM 93 CA LYS A 6 105.283 1.871 6.209 1.00 0.00 C ATOM 94 C LYS A 6 105.126 0.933 5.021 1.00 0.00 C ATOM 95 O LYS A 6 104.116 0.235 4.897 1.00 0.00 O ATOM 96 CB LYS A 6 105.306 1.056 7.503 1.00 0.00 C ATOM 97 CG LYS A 6 106.586 0.218 7.560 1.00 0.00 C ATOM 98 CD LYS A 6 106.619 -0.578 8.863 1.00 0.00 C ATOM 99 CE LYS A 6 107.906 -1.399 8.918 1.00 0.00 C ATOM 100 NZ LYS A 6 107.962 -2.145 10.204 1.00 0.00 N ATOM 0 H LYS A 6 103.257 2.417 6.248 1.00 0.00 H new ATOM 0 HA LYS A 6 106.220 2.418 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.257 1.722 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.432 0.407 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.628 -0.459 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.460 0.866 7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.568 0.097 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.751 -1.235 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 6 107.943 -2.095 8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.772 -0.744 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.838 -2.705 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 107.946 -1.472 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 107.142 -2.781 10.273 1.00 0.00 H new ATOM 114 N THR A 7 106.131 0.938 4.153 1.00 0.00 N ATOM 115 CA THR A 7 106.117 0.100 2.962 1.00 0.00 C ATOM 116 C THR A 7 106.518 -1.326 3.321 1.00 0.00 C ATOM 117 O THR A 7 106.995 -1.586 4.429 1.00 0.00 O ATOM 118 CB THR A 7 107.093 0.653 1.912 1.00 0.00 C ATOM 119 OG1 THR A 7 108.410 0.629 2.442 1.00 0.00 O ATOM 120 CG2 THR A 7 106.717 2.092 1.541 1.00 0.00 C ATOM 0 H THR A 7 106.967 1.514 4.253 1.00 0.00 H new ATOM 0 HA THR A 7 105.108 0.100 2.551 1.00 0.00 H new ATOM 0 HB THR A 7 107.041 0.035 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 7 108.976 0.054 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.417 2.471 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.707 2.110 1.132 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.759 2.720 2.431 1.00 0.00 H new ATOM 128 N LEU A 8 106.306 -2.240 2.379 1.00 0.00 N ATOM 129 CA LEU A 8 106.632 -3.652 2.581 1.00 0.00 C ATOM 130 C LEU A 8 108.139 -3.861 2.735 1.00 0.00 C ATOM 131 O LEU A 8 108.575 -4.836 3.351 1.00 0.00 O ATOM 132 CB LEU A 8 106.139 -4.469 1.386 1.00 0.00 C ATOM 133 CG LEU A 8 104.610 -4.390 1.285 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.161 -4.932 -0.075 1.00 0.00 C ATOM 135 CD2 LEU A 8 103.972 -5.220 2.403 1.00 0.00 C ATOM 0 H LEU A 8 105.908 -2.029 1.464 1.00 0.00 H new ATOM 0 HA LEU A 8 106.140 -3.981 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.591 -4.094 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.451 -5.508 1.493 1.00 0.00 H new ATOM 0 HG LEU A 8 104.296 -3.351 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 103.075 -4.877 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.609 -4.336 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.479 -5.970 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 102.886 -5.160 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.286 -6.260 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.289 -4.832 3.371 1.00 0.00 H new ATOM 147 N THR A 9 108.924 -2.940 2.172 1.00 0.00 N ATOM 148 CA THR A 9 110.382 -3.023 2.240 1.00 0.00 C ATOM 149 C THR A 9 110.901 -2.650 3.633 1.00 0.00 C ATOM 150 O THR A 9 112.015 -3.028 4.002 1.00 0.00 O ATOM 151 CB THR A 9 110.993 -2.097 1.185 1.00 0.00 C ATOM 152 OG1 THR A 9 110.482 -0.782 1.360 1.00 0.00 O ATOM 153 CG2 THR A 9 110.635 -2.608 -0.216 1.00 0.00 C ATOM 0 H THR A 9 108.573 -2.128 1.664 1.00 0.00 H new ATOM 0 HA THR A 9 110.678 -4.053 2.043 1.00 0.00 H new ATOM 0 HB THR A 9 112.077 -2.083 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.873 -0.187 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 9 111.070 -1.948 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 9 111.028 -3.616 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.551 -2.624 -0.332 1.00 0.00 H new ATOM 161 N GLY A 10 110.085 -1.921 4.407 1.00 0.00 N ATOM 162 CA GLY A 10 110.471 -1.518 5.764 1.00 0.00 C ATOM 163 C GLY A 10 110.673 -0.005 5.889 1.00 0.00 C ATOM 164 O GLY A 10 110.724 0.519 7.005 1.00 0.00 O ATOM 0 H GLY A 10 109.161 -1.601 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.703 -1.838 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.392 -2.029 6.044 1.00 0.00 H new ATOM 168 N LYS A 11 110.780 0.691 4.750 1.00 0.00 N ATOM 169 CA LYS A 11 110.969 2.140 4.762 1.00 0.00 C ATOM 170 C LYS A 11 109.825 2.806 5.520 1.00 0.00 C ATOM 171 O LYS A 11 108.712 2.275 5.569 1.00 0.00 O ATOM 172 CB LYS A 11 111.035 2.683 3.331 1.00 0.00 C ATOM 173 CG LYS A 11 111.414 4.169 3.360 1.00 0.00 C ATOM 174 CD LYS A 11 111.549 4.684 1.933 1.00 0.00 C ATOM 175 CE LYS A 11 111.946 6.161 1.958 1.00 0.00 C ATOM 176 NZ LYS A 11 112.128 6.648 0.562 1.00 0.00 N ATOM 0 H LYS A 11 110.739 0.276 3.819 1.00 0.00 H new ATOM 0 HA LYS A 11 111.910 2.366 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.768 2.122 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 11 110.072 2.553 2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.654 4.739 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.352 4.306 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.299 4.104 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.607 4.559 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.177 6.747 2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.869 6.291 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.398 7.652 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 112.876 6.095 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.237 6.537 0.037 1.00 0.00 H new ATOM 190 N THR A 12 110.115 3.965 6.110 1.00 0.00 N ATOM 191 CA THR A 12 109.111 4.706 6.872 1.00 0.00 C ATOM 192 C THR A 12 109.051 6.162 6.417 1.00 0.00 C ATOM 193 O THR A 12 110.075 6.842 6.328 1.00 0.00 O ATOM 194 CB THR A 12 109.436 4.648 8.369 1.00 0.00 C ATOM 195 OG1 THR A 12 109.661 3.297 8.748 1.00 0.00 O ATOM 196 CG2 THR A 12 108.257 5.206 9.173 1.00 0.00 C ATOM 0 H THR A 12 111.032 4.409 6.075 1.00 0.00 H new ATOM 0 HA THR A 12 108.140 4.244 6.694 1.00 0.00 H new ATOM 0 HB THR A 12 110.327 5.242 8.569 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.871 3.256 9.704 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.490 5.164 10.237 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.075 6.241 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.366 4.611 8.973 1.00 0.00 H new ATOM 204 N ILE A 13 107.835 6.620 6.141 1.00 0.00 N ATOM 205 CA ILE A 13 107.598 7.992 5.702 1.00 0.00 C ATOM 206 C ILE A 13 106.477 8.615 6.533 1.00 0.00 C ATOM 207 O ILE A 13 105.407 8.021 6.687 1.00 0.00 O ATOM 208 CB ILE A 13 107.227 8.011 4.198 1.00 0.00 C ATOM 209 CG1 ILE A 13 106.931 9.460 3.736 1.00 0.00 C ATOM 210 CG2 ILE A 13 105.995 7.122 3.946 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.768 9.519 2.209 1.00 0.00 C ATOM 0 H ILE A 13 106.989 6.055 6.214 1.00 0.00 H new ATOM 0 HA ILE A 13 108.508 8.575 5.844 1.00 0.00 H new ATOM 0 HB ILE A 13 108.070 7.623 3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.023 9.823 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.742 10.119 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.742 7.142 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.218 6.098 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.152 7.496 4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.561 10.545 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.686 9.177 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 13 105.941 8.877 1.906 1.00 0.00 H new ATOM 223 N THR A 14 106.724 9.825 7.030 1.00 0.00 N ATOM 224 CA THR A 14 105.715 10.540 7.805 1.00 0.00 C ATOM 225 C THR A 14 104.970 11.468 6.866 1.00 0.00 C ATOM 226 O THR A 14 105.580 12.279 6.163 1.00 0.00 O ATOM 227 CB THR A 14 106.348 11.346 8.936 1.00 0.00 C ATOM 228 OG1 THR A 14 107.235 10.517 9.673 1.00 0.00 O ATOM 229 CG2 THR A 14 105.250 11.871 9.865 1.00 0.00 C ATOM 0 H THR A 14 107.605 10.326 6.911 1.00 0.00 H new ATOM 0 HA THR A 14 105.034 9.820 8.259 1.00 0.00 H new ATOM 0 HB THR A 14 106.902 12.186 8.516 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.719 9.935 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.702 12.447 10.673 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.570 12.509 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.695 11.031 10.284 1.00 0.00 H new ATOM 237 N LEU A 15 103.656 11.300 6.819 1.00 0.00 N ATOM 238 CA LEU A 15 102.819 12.076 5.918 1.00 0.00 C ATOM 239 C LEU A 15 101.757 12.852 6.683 1.00 0.00 C ATOM 240 O LEU A 15 101.120 12.322 7.592 1.00 0.00 O ATOM 241 CB LEU A 15 102.156 11.116 4.929 1.00 0.00 C ATOM 242 CG LEU A 15 101.435 11.884 3.816 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.452 12.554 2.884 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.586 10.895 3.015 1.00 0.00 C ATOM 0 H LEU A 15 103.146 10.631 7.396 1.00 0.00 H new ATOM 0 HA LEU A 15 103.438 12.801 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.909 10.460 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.445 10.480 5.456 1.00 0.00 H new ATOM 0 HG LEU A 15 100.805 12.657 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.924 13.095 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.066 13.250 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.090 11.793 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 100.065 11.425 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.230 10.130 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.857 10.424 3.674 1.00 0.00 H new ATOM 256 N GLU A 16 101.573 14.106 6.288 1.00 0.00 N ATOM 257 CA GLU A 16 100.580 14.973 6.916 1.00 0.00 C ATOM 258 C GLU A 16 99.352 15.087 6.027 1.00 0.00 C ATOM 259 O GLU A 16 99.428 15.620 4.916 1.00 0.00 O ATOM 260 CB GLU A 16 101.170 16.364 7.145 1.00 0.00 C ATOM 261 CG GLU A 16 102.263 16.291 8.220 1.00 0.00 C ATOM 262 CD GLU A 16 102.942 17.655 8.429 1.00 0.00 C ATOM 263 OE1 GLU A 16 102.528 18.628 7.811 1.00 0.00 O ATOM 264 OE2 GLU A 16 103.876 17.704 9.213 1.00 0.00 O ATOM 0 H GLU A 16 102.099 14.547 5.534 1.00 0.00 H new ATOM 0 HA GLU A 16 100.294 14.539 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.586 16.751 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.387 17.055 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 16 101.828 15.953 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 16 103.010 15.552 7.931 1.00 0.00 H new ATOM 271 N VAL A 17 98.227 14.580 6.523 1.00 0.00 N ATOM 272 CA VAL A 17 96.974 14.623 5.769 1.00 0.00 C ATOM 273 C VAL A 17 95.810 14.933 6.699 1.00 0.00 C ATOM 274 O VAL A 17 95.874 14.628 7.892 1.00 0.00 O ATOM 275 CB VAL A 17 96.735 13.283 5.049 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.848 13.055 4.022 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.731 12.125 6.060 1.00 0.00 C ATOM 0 H VAL A 17 98.155 14.136 7.439 1.00 0.00 H new ATOM 0 HA VAL A 17 97.046 15.413 5.021 1.00 0.00 H new ATOM 0 HB VAL A 17 95.767 13.318 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.682 12.107 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.843 13.866 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.812 13.029 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.561 11.185 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.692 12.086 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 17 95.937 12.282 6.790 1.00 0.00 H new ATOM 287 N GLU A 18 94.753 15.532 6.148 1.00 0.00 N ATOM 288 CA GLU A 18 93.581 15.872 6.946 1.00 0.00 C ATOM 289 C GLU A 18 92.484 14.806 6.780 1.00 0.00 C ATOM 290 O GLU A 18 92.366 14.216 5.702 1.00 0.00 O ATOM 291 CB GLU A 18 93.028 17.238 6.539 1.00 0.00 C ATOM 292 CG GLU A 18 94.036 18.328 6.906 1.00 0.00 C ATOM 293 CD GLU A 18 93.598 19.663 6.313 1.00 0.00 C ATOM 294 OE1 GLU A 18 93.855 19.880 5.140 1.00 0.00 O ATOM 295 OE2 GLU A 18 93.013 20.449 7.039 1.00 0.00 O ATOM 0 H GLU A 18 94.687 15.788 5.163 1.00 0.00 H new ATOM 0 HA GLU A 18 93.888 15.909 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.830 17.257 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.079 17.422 7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.116 18.411 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 18 95.025 18.061 6.533 1.00 0.00 H new ATOM 302 N PRO A 19 91.672 14.548 7.809 1.00 0.00 N ATOM 303 CA PRO A 19 90.569 13.533 7.722 1.00 0.00 C ATOM 304 C PRO A 19 89.628 13.811 6.545 1.00 0.00 C ATOM 305 O PRO A 19 89.091 12.887 5.929 1.00 0.00 O ATOM 306 CB PRO A 19 89.832 13.670 9.058 1.00 0.00 C ATOM 307 CG PRO A 19 90.829 14.254 9.997 1.00 0.00 C ATOM 308 CD PRO A 19 91.704 15.172 9.155 1.00 0.00 C ATOM 0 HA PRO A 19 90.952 12.527 7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.958 14.314 8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.477 12.702 9.413 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.336 14.808 10.796 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.424 13.473 10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.314 16.190 9.134 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.720 15.228 9.547 1.00 0.00 H new ATOM 316 N SER A 20 89.453 15.097 6.249 1.00 0.00 N ATOM 317 CA SER A 20 88.591 15.527 5.143 1.00 0.00 C ATOM 318 C SER A 20 89.211 15.189 3.780 1.00 0.00 C ATOM 319 O SER A 20 88.501 15.138 2.771 1.00 0.00 O ATOM 320 CB SER A 20 88.347 17.035 5.223 1.00 0.00 C ATOM 321 OG SER A 20 89.586 17.717 5.078 1.00 0.00 O ATOM 0 H SER A 20 89.896 15.862 6.758 1.00 0.00 H new ATOM 0 HA SER A 20 87.647 14.991 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.654 17.345 4.441 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.887 17.291 6.177 1.00 0.00 H new ATOM 0 HG SER A 20 89.435 18.684 5.127 1.00 0.00 H new ATOM 327 N ASP A 21 90.532 14.964 3.756 1.00 0.00 N ATOM 328 CA ASP A 21 91.234 14.640 2.517 1.00 0.00 C ATOM 329 C ASP A 21 90.881 13.231 2.067 1.00 0.00 C ATOM 330 O ASP A 21 90.834 12.305 2.882 1.00 0.00 O ATOM 331 CB ASP A 21 92.747 14.754 2.725 1.00 0.00 C ATOM 332 CG ASP A 21 93.457 14.889 1.381 1.00 0.00 C ATOM 333 OD1 ASP A 21 94.320 14.072 1.108 1.00 0.00 O ATOM 334 OD2 ASP A 21 93.132 15.809 0.647 1.00 0.00 O ATOM 0 H ASP A 21 91.130 15.001 4.581 1.00 0.00 H new ATOM 0 HA ASP A 21 90.926 15.346 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 21 92.971 15.618 3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.116 13.874 3.252 1.00 0.00 H new ATOM 339 N THR A 22 90.629 13.083 0.769 1.00 0.00 N ATOM 340 CA THR A 22 90.274 11.787 0.206 1.00 0.00 C ATOM 341 C THR A 22 91.519 10.937 -0.003 1.00 0.00 C ATOM 342 O THR A 22 92.635 11.456 -0.022 1.00 0.00 O ATOM 343 CB THR A 22 89.552 11.983 -1.128 1.00 0.00 C ATOM 344 OG1 THR A 22 90.279 12.906 -1.925 1.00 0.00 O ATOM 345 CG2 THR A 22 88.143 12.524 -0.877 1.00 0.00 C ATOM 0 H THR A 22 90.664 13.844 0.090 1.00 0.00 H new ATOM 0 HA THR A 22 89.613 11.273 0.904 1.00 0.00 H new ATOM 0 HB THR A 22 89.483 11.027 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.819 13.032 -2.781 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.631 12.663 -1.829 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.585 11.815 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.208 13.480 -0.357 1.00 0.00 H new ATOM 353 N ILE A 23 91.322 9.626 -0.130 1.00 0.00 N ATOM 354 CA ILE A 23 92.442 8.709 -0.310 1.00 0.00 C ATOM 355 C ILE A 23 93.192 9.061 -1.599 1.00 0.00 C ATOM 356 O ILE A 23 94.425 9.075 -1.616 1.00 0.00 O ATOM 357 CB ILE A 23 91.924 7.251 -0.346 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.308 6.866 1.031 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.067 6.274 -0.706 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.334 6.953 2.186 1.00 0.00 C ATOM 0 H ILE A 23 90.405 9.179 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 23 93.134 8.803 0.527 1.00 0.00 H new ATOM 0 HB ILE A 23 91.153 7.180 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.467 7.526 1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 23 90.912 5.852 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.682 5.255 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.469 6.529 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 23 93.858 6.348 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 23 91.852 6.674 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.163 6.273 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 23 92.711 7.973 2.262 1.00 0.00 H new ATOM 372 N GLU A 24 92.442 9.347 -2.662 1.00 0.00 N ATOM 373 CA GLU A 24 93.050 9.707 -3.943 1.00 0.00 C ATOM 374 C GLU A 24 93.962 10.931 -3.772 1.00 0.00 C ATOM 375 O GLU A 24 95.007 11.032 -4.421 1.00 0.00 O ATOM 376 CB GLU A 24 91.951 10.027 -4.961 1.00 0.00 C ATOM 377 CG GLU A 24 92.574 10.241 -6.351 1.00 0.00 C ATOM 378 CD GLU A 24 91.500 10.527 -7.410 1.00 0.00 C ATOM 379 OE1 GLU A 24 90.329 10.282 -7.150 1.00 0.00 O ATOM 380 OE2 GLU A 24 91.872 10.989 -8.476 1.00 0.00 O ATOM 0 H GLU A 24 91.422 9.337 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 24 93.646 8.867 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.228 9.212 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.408 10.921 -4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 24 93.278 11.072 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.142 9.356 -6.637 1.00 0.00 H new ATOM 387 N ASN A 25 93.564 11.830 -2.868 1.00 0.00 N ATOM 388 CA ASN A 25 94.349 13.027 -2.576 1.00 0.00 C ATOM 389 C ASN A 25 95.656 12.654 -1.877 1.00 0.00 C ATOM 390 O ASN A 25 96.704 13.246 -2.143 1.00 0.00 O ATOM 391 CB ASN A 25 93.546 14.001 -1.703 1.00 0.00 C ATOM 392 CG ASN A 25 92.486 14.730 -2.533 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.582 14.805 -3.761 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.467 15.278 -1.927 1.00 0.00 N ATOM 0 H ASN A 25 92.703 11.750 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 25 94.584 13.517 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.066 13.456 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.219 14.727 -1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.754 15.766 -2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.385 15.218 -0.912 1.00 0.00 H new ATOM 401 N VAL A 26 95.574 11.671 -0.975 1.00 0.00 N ATOM 402 CA VAL A 26 96.741 11.211 -0.216 1.00 0.00 C ATOM 403 C VAL A 26 97.808 10.651 -1.162 1.00 0.00 C ATOM 404 O VAL A 26 98.998 10.917 -0.984 1.00 0.00 O ATOM 405 CB VAL A 26 96.316 10.134 0.809 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.537 9.627 1.599 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.300 10.731 1.791 1.00 0.00 C ATOM 0 H VAL A 26 94.710 11.178 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 26 97.166 12.060 0.320 1.00 0.00 H new ATOM 0 HB VAL A 26 95.869 9.300 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.218 8.870 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.261 9.193 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 26 97.997 10.459 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.001 9.971 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.753 11.572 2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.423 11.075 1.243 1.00 0.00 H new ATOM 417 N LYS A 27 97.377 9.853 -2.141 1.00 0.00 N ATOM 418 CA LYS A 27 98.319 9.239 -3.078 1.00 0.00 C ATOM 419 C LYS A 27 99.162 10.317 -3.757 1.00 0.00 C ATOM 420 O LYS A 27 100.389 10.202 -3.813 1.00 0.00 O ATOM 421 CB LYS A 27 97.568 8.422 -4.128 1.00 0.00 C ATOM 422 CG LYS A 27 96.883 7.235 -3.450 1.00 0.00 C ATOM 423 CD LYS A 27 96.119 6.421 -4.495 1.00 0.00 C ATOM 424 CE LYS A 27 95.431 5.237 -3.815 1.00 0.00 C ATOM 425 NZ LYS A 27 94.680 4.449 -4.831 1.00 0.00 N ATOM 0 H LYS A 27 96.398 9.619 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 27 98.978 8.572 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.828 9.046 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.259 8.069 -4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.625 6.607 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.199 7.588 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.379 7.049 -4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.803 6.065 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.171 4.606 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 27 94.752 5.593 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.212 3.643 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.964 5.055 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.339 4.098 -5.555 1.00 0.00 H new ATOM 439 N ALA A 28 98.498 11.358 -4.267 1.00 0.00 N ATOM 440 CA ALA A 28 99.200 12.454 -4.941 1.00 0.00 C ATOM 441 C ALA A 28 100.279 13.045 -4.029 1.00 0.00 C ATOM 442 O ALA A 28 101.369 13.390 -4.493 1.00 0.00 O ATOM 443 CB ALA A 28 98.207 13.547 -5.338 1.00 0.00 C ATOM 0 H ALA A 28 97.484 11.465 -4.227 1.00 0.00 H new ATOM 0 HA ALA A 28 99.677 12.057 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.738 14.357 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.460 13.131 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.714 13.933 -4.445 1.00 0.00 H new ATOM 449 N LYS A 29 99.977 13.143 -2.732 1.00 0.00 N ATOM 450 CA LYS A 29 100.944 13.672 -1.767 1.00 0.00 C ATOM 451 C LYS A 29 102.167 12.757 -1.709 1.00 0.00 C ATOM 452 O LYS A 29 103.310 13.227 -1.652 1.00 0.00 O ATOM 453 CB LYS A 29 100.314 13.766 -0.375 1.00 0.00 C ATOM 454 CG LYS A 29 99.214 14.828 -0.375 1.00 0.00 C ATOM 455 CD LYS A 29 98.577 14.897 1.016 1.00 0.00 C ATOM 456 CE LYS A 29 97.476 15.959 1.025 1.00 0.00 C ATOM 457 NZ LYS A 29 96.862 16.026 2.382 1.00 0.00 N ATOM 0 H LYS A 29 99.082 12.867 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 29 101.245 14.669 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 29 99.899 12.800 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.076 14.018 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.630 15.799 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.458 14.585 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.162 13.926 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.334 15.138 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 29 97.890 16.930 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.716 15.717 0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.223 16.845 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.323 15.155 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.611 16.125 3.097 1.00 0.00 H new ATOM 471 N ILE A 30 101.909 11.445 -1.734 1.00 0.00 N ATOM 472 CA ILE A 30 102.975 10.453 -1.695 1.00 0.00 C ATOM 473 C ILE A 30 103.832 10.580 -2.947 1.00 0.00 C ATOM 474 O ILE A 30 105.048 10.515 -2.861 1.00 0.00 O ATOM 475 CB ILE A 30 102.380 9.033 -1.592 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.678 8.889 -0.235 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.498 7.972 -1.695 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.814 7.622 -0.221 1.00 0.00 C ATOM 0 H ILE A 30 100.969 11.051 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 30 103.597 10.628 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 30 101.672 8.881 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.419 8.842 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.057 9.764 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 30 103.062 6.976 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 30 104.009 8.074 -2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.213 8.117 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.320 7.529 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.062 7.686 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.445 6.750 -0.392 1.00 0.00 H new ATOM 490 N GLN A 31 103.188 10.753 -4.102 1.00 0.00 N ATOM 491 CA GLN A 31 103.914 10.875 -5.371 1.00 0.00 C ATOM 492 C GLN A 31 105.089 11.847 -5.234 1.00 0.00 C ATOM 493 O GLN A 31 106.194 11.565 -5.698 1.00 0.00 O ATOM 494 CB GLN A 31 102.947 11.359 -6.480 1.00 0.00 C ATOM 495 CG GLN A 31 103.711 11.764 -7.764 1.00 0.00 C ATOM 496 CD GLN A 31 104.490 10.578 -8.311 1.00 0.00 C ATOM 497 OE1 GLN A 31 103.899 9.566 -8.664 1.00 0.00 O ATOM 498 NE2 GLN A 31 105.793 10.635 -8.379 1.00 0.00 N ATOM 0 H GLN A 31 102.173 10.812 -4.187 1.00 0.00 H new ATOM 0 HA GLN A 31 104.312 9.897 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 31 102.235 10.568 -6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.370 12.209 -6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 31 103.008 12.124 -8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 31 104.393 12.586 -7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 31 106.283 11.480 -8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 31 106.321 9.835 -8.727 1.00 0.00 H new ATOM 507 N ASP A 32 104.828 12.989 -4.619 1.00 0.00 N ATOM 508 CA ASP A 32 105.856 14.012 -4.449 1.00 0.00 C ATOM 509 C ASP A 32 106.985 13.547 -3.519 1.00 0.00 C ATOM 510 O ASP A 32 108.141 13.928 -3.719 1.00 0.00 O ATOM 511 CB ASP A 32 105.226 15.289 -3.893 1.00 0.00 C ATOM 512 CG ASP A 32 104.661 16.128 -5.037 1.00 0.00 C ATOM 513 OD1 ASP A 32 103.517 16.542 -4.932 1.00 0.00 O ATOM 514 OD2 ASP A 32 105.379 16.346 -5.998 1.00 0.00 O ATOM 0 H ASP A 32 103.918 13.234 -4.229 1.00 0.00 H new ATOM 0 HA ASP A 32 106.293 14.205 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.433 15.037 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.971 15.863 -3.342 1.00 0.00 H new ATOM 519 N LYS A 33 106.639 12.762 -2.494 1.00 0.00 N ATOM 520 CA LYS A 33 107.636 12.292 -1.518 1.00 0.00 C ATOM 521 C LYS A 33 108.388 11.029 -1.948 1.00 0.00 C ATOM 522 O LYS A 33 109.609 10.954 -1.788 1.00 0.00 O ATOM 523 CB LYS A 33 106.964 12.021 -0.173 1.00 0.00 C ATOM 524 CG LYS A 33 106.533 13.342 0.461 1.00 0.00 C ATOM 525 CD LYS A 33 105.830 13.070 1.790 1.00 0.00 C ATOM 526 CE LYS A 33 105.448 14.400 2.444 1.00 0.00 C ATOM 527 NZ LYS A 33 104.449 15.106 1.591 1.00 0.00 N ATOM 0 H LYS A 33 105.688 12.440 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 33 108.371 13.094 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.098 11.373 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.652 11.496 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.402 13.980 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 33 105.864 13.878 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 33 104.939 12.464 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.485 12.502 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 33 105.034 14.223 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 33 106.334 15.021 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 103.966 15.836 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 104.934 15.553 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 103.750 14.422 1.237 1.00 0.00 H new ATOM 541 N GLU A 34 107.664 10.037 -2.462 1.00 0.00 N ATOM 542 CA GLU A 34 108.273 8.772 -2.875 1.00 0.00 C ATOM 543 C GLU A 34 108.567 8.729 -4.376 1.00 0.00 C ATOM 544 O GLU A 34 109.286 7.836 -4.836 1.00 0.00 O ATOM 545 CB GLU A 34 107.329 7.622 -2.522 1.00 0.00 C ATOM 546 CG GLU A 34 107.223 7.482 -0.994 1.00 0.00 C ATOM 547 CD GLU A 34 106.220 6.386 -0.597 1.00 0.00 C ATOM 548 OE1 GLU A 34 105.632 5.770 -1.478 1.00 0.00 O ATOM 549 OE2 GLU A 34 106.056 6.177 0.592 1.00 0.00 O ATOM 0 H GLU A 34 106.655 10.084 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 34 109.222 8.677 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.343 7.806 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.696 6.692 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.204 7.247 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 34 106.914 8.433 -0.561 1.00 0.00 H new ATOM 556 N GLY A 35 108.031 9.690 -5.133 1.00 0.00 N ATOM 557 CA GLY A 35 108.262 9.741 -6.576 1.00 0.00 C ATOM 558 C GLY A 35 107.644 8.546 -7.297 1.00 0.00 C ATOM 559 O GLY A 35 108.069 8.211 -8.406 1.00 0.00 O ATOM 0 H GLY A 35 107.438 10.438 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.843 10.663 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.334 9.767 -6.771 1.00 0.00 H new ATOM 563 N ILE A 36 106.651 7.892 -6.670 1.00 0.00 N ATOM 564 CA ILE A 36 106.012 6.726 -7.288 1.00 0.00 C ATOM 565 C ILE A 36 104.580 7.069 -7.755 1.00 0.00 C ATOM 566 O ILE A 36 103.828 7.695 -7.000 1.00 0.00 O ATOM 567 CB ILE A 36 105.974 5.533 -6.313 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.405 5.198 -5.859 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.369 4.302 -7.018 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.366 4.285 -4.628 1.00 0.00 C ATOM 0 H ILE A 36 106.282 8.147 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 36 106.608 6.445 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 36 105.363 5.796 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.946 4.708 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.945 6.115 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.344 3.461 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.355 4.532 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.979 4.041 -7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.384 4.054 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.842 4.790 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.844 3.361 -4.877 1.00 0.00 H new ATOM 582 N PRO A 37 104.183 6.670 -8.971 1.00 0.00 N ATOM 583 CA PRO A 37 102.817 6.954 -9.503 1.00 0.00 C ATOM 584 C PRO A 37 101.697 6.533 -8.527 1.00 0.00 C ATOM 585 O PRO A 37 101.792 5.464 -7.917 1.00 0.00 O ATOM 586 CB PRO A 37 102.735 6.151 -10.809 1.00 0.00 C ATOM 587 CG PRO A 37 103.904 5.228 -10.800 1.00 0.00 C ATOM 588 CD PRO A 37 104.970 5.917 -9.969 1.00 0.00 C ATOM 0 HA PRO A 37 102.669 8.024 -9.652 1.00 0.00 H new ATOM 0 HB2 PRO A 37 101.799 5.595 -10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 37 102.767 6.812 -11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.636 4.263 -10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 37 104.260 5.038 -11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 37 105.639 5.198 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.589 6.578 -10.576 1.00 0.00 H new ATOM 596 N PRO A 38 100.640 7.334 -8.366 1.00 0.00 N ATOM 597 CA PRO A 38 99.507 6.992 -7.445 1.00 0.00 C ATOM 598 C PRO A 38 98.803 5.695 -7.850 1.00 0.00 C ATOM 599 O PRO A 38 98.333 4.941 -6.994 1.00 0.00 O ATOM 600 CB PRO A 38 98.553 8.195 -7.558 1.00 0.00 C ATOM 601 CG PRO A 38 98.921 8.892 -8.822 1.00 0.00 C ATOM 602 CD PRO A 38 100.403 8.638 -9.028 1.00 0.00 C ATOM 0 HA PRO A 38 99.854 6.819 -6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.513 7.868 -7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 38 98.659 8.859 -6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 38 98.340 8.509 -9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 38 98.715 9.960 -8.752 1.00 0.00 H new ATOM 0 HD2 PRO A 38 100.658 8.600 -10.087 1.00 0.00 H new ATOM 0 HD3 PRO A 38 101.009 9.427 -8.583 1.00 0.00 H new ATOM 610 N ASP A 39 98.740 5.447 -9.161 1.00 0.00 N ATOM 611 CA ASP A 39 98.094 4.243 -9.689 1.00 0.00 C ATOM 612 C ASP A 39 98.858 2.982 -9.291 1.00 0.00 C ATOM 613 O ASP A 39 98.250 1.936 -9.050 1.00 0.00 O ATOM 614 CB ASP A 39 98.004 4.324 -11.214 1.00 0.00 C ATOM 615 CG ASP A 39 97.075 3.233 -11.739 1.00 0.00 C ATOM 616 OD1 ASP A 39 95.971 3.125 -11.230 1.00 0.00 O ATOM 617 OD2 ASP A 39 97.481 2.522 -12.643 1.00 0.00 O ATOM 0 H ASP A 39 99.128 6.063 -9.875 1.00 0.00 H new ATOM 0 HA ASP A 39 97.092 4.187 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 39 97.633 5.304 -11.513 1.00 0.00 H new ATOM 0 HB3 ASP A 39 98.996 4.211 -11.652 1.00 0.00 H new ATOM 622 N GLN A 40 100.189 3.085 -9.239 1.00 0.00 N ATOM 623 CA GLN A 40 101.031 1.937 -8.884 1.00 0.00 C ATOM 624 C GLN A 40 101.131 1.749 -7.360 1.00 0.00 C ATOM 625 O GLN A 40 101.817 0.835 -6.898 1.00 0.00 O ATOM 626 CB GLN A 40 102.438 2.128 -9.466 1.00 0.00 C ATOM 627 CG GLN A 40 103.144 0.770 -9.575 1.00 0.00 C ATOM 628 CD GLN A 40 104.505 0.915 -10.254 1.00 0.00 C ATOM 629 OE1 GLN A 40 104.705 1.803 -11.084 1.00 0.00 O ATOM 630 NE2 GLN A 40 105.459 0.081 -9.947 1.00 0.00 N ATOM 0 H GLN A 40 100.704 3.943 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 40 100.567 1.045 -9.304 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.375 2.595 -10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.016 2.799 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 40 103.273 0.342 -8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 40 102.522 0.077 -10.142 1.00 0.00 H new ATOM 0 HE21 GLN A 40 105.292 -0.654 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 40 106.372 0.163 -10.394 1.00 0.00 H new ATOM 639 N GLN A 41 100.456 2.611 -6.590 1.00 0.00 N ATOM 640 CA GLN A 41 100.490 2.523 -5.132 1.00 0.00 C ATOM 641 C GLN A 41 99.113 2.218 -4.559 1.00 0.00 C ATOM 642 O GLN A 41 98.128 2.884 -4.887 1.00 0.00 O ATOM 643 CB GLN A 41 101.005 3.833 -4.544 1.00 0.00 C ATOM 644 CG GLN A 41 102.481 4.000 -4.899 1.00 0.00 C ATOM 645 CD GLN A 41 103.000 5.321 -4.347 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.487 6.385 -4.694 1.00 0.00 O ATOM 647 NE2 GLN A 41 103.992 5.315 -3.502 1.00 0.00 N ATOM 0 H GLN A 41 99.883 3.373 -6.954 1.00 0.00 H new ATOM 0 HA GLN A 41 101.161 1.707 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.428 4.672 -4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 41 100.877 3.834 -3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.059 3.172 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.609 3.972 -5.981 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.414 4.431 -3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.346 6.194 -3.125 1.00 0.00 H new ATOM 656 N ARG A 42 99.070 1.214 -3.687 1.00 0.00 N ATOM 657 CA ARG A 42 97.830 0.811 -3.034 1.00 0.00 C ATOM 658 C ARG A 42 98.041 0.791 -1.529 1.00 0.00 C ATOM 659 O ARG A 42 99.069 0.301 -1.053 1.00 0.00 O ATOM 660 CB ARG A 42 97.412 -0.581 -3.507 1.00 0.00 C ATOM 661 CG ARG A 42 97.068 -0.532 -4.994 1.00 0.00 C ATOM 662 CD ARG A 42 96.609 -1.911 -5.457 1.00 0.00 C ATOM 663 NE ARG A 42 96.223 -1.853 -6.870 1.00 0.00 N ATOM 664 CZ ARG A 42 94.962 -1.605 -7.275 1.00 0.00 C ATOM 665 NH1 ARG A 42 93.988 -1.386 -6.418 1.00 0.00 N ATOM 666 NH2 ARG A 42 94.701 -1.575 -8.552 1.00 0.00 N ATOM 0 H ARG A 42 99.884 0.663 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 42 97.044 1.522 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.219 -1.293 -3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.551 -0.928 -2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.283 0.203 -5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 42 97.938 -0.215 -5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 42 97.410 -2.637 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 42 95.766 -2.246 -4.853 1.00 0.00 H new ATOM 0 HE ARG A 42 96.941 -2.007 -7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 42 94.177 -1.401 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 42 93.043 -1.201 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 42 95.446 -1.738 -9.229 1.00 0.00 H new ATOM 0 HH22 ARG A 42 93.751 -1.389 -8.874 1.00 0.00 H new ATOM 680 N LEU A 43 97.082 1.342 -0.784 1.00 0.00 N ATOM 681 CA LEU A 43 97.188 1.403 0.670 1.00 0.00 C ATOM 682 C LEU A 43 96.198 0.458 1.336 1.00 0.00 C ATOM 683 O LEU A 43 95.043 0.350 0.912 1.00 0.00 O ATOM 684 CB LEU A 43 96.909 2.835 1.140 1.00 0.00 C ATOM 685 CG LEU A 43 98.111 3.737 0.821 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.686 5.205 0.906 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.229 3.481 1.839 1.00 0.00 C ATOM 0 H LEU A 43 96.228 1.750 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 43 98.197 1.100 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.015 3.220 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.713 2.843 2.212 1.00 0.00 H new ATOM 0 HG LEU A 43 98.470 3.515 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.539 5.844 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 43 96.889 5.395 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.327 5.422 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.081 4.121 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 43 98.865 3.703 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.536 2.436 1.787 1.00 0.00 H new ATOM 699 N ILE A 44 96.660 -0.200 2.399 1.00 0.00 N ATOM 700 CA ILE A 44 95.820 -1.117 3.162 1.00 0.00 C ATOM 701 C ILE A 44 95.857 -0.730 4.631 1.00 0.00 C ATOM 702 O ILE A 44 96.912 -0.402 5.181 1.00 0.00 O ATOM 703 CB ILE A 44 96.263 -2.581 2.979 1.00 0.00 C ATOM 704 CG1 ILE A 44 96.089 -2.963 1.501 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.399 -3.514 3.863 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.665 -4.356 1.233 1.00 0.00 C ATOM 0 H ILE A 44 97.614 -0.113 2.750 1.00 0.00 H new ATOM 0 HA ILE A 44 94.799 -1.040 2.788 1.00 0.00 H new ATOM 0 HB ILE A 44 97.306 -2.689 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 44 95.032 -2.944 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.589 -2.229 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.721 -4.546 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.515 -3.234 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.352 -3.419 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.532 -4.608 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.727 -4.363 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 44 96.146 -5.089 1.850 1.00 0.00 H new ATOM 718 N PHE A 45 94.687 -0.785 5.245 1.00 0.00 N ATOM 719 CA PHE A 45 94.539 -0.455 6.653 1.00 0.00 C ATOM 720 C PHE A 45 93.663 -1.496 7.342 1.00 0.00 C ATOM 721 O PHE A 45 92.512 -1.716 6.957 1.00 0.00 O ATOM 722 CB PHE A 45 93.921 0.943 6.799 1.00 0.00 C ATOM 723 CG PHE A 45 93.864 1.341 8.264 1.00 0.00 C ATOM 724 CD1 PHE A 45 95.049 1.587 8.972 1.00 0.00 C ATOM 725 CD2 PHE A 45 92.628 1.463 8.912 1.00 0.00 C ATOM 726 CE1 PHE A 45 94.997 1.954 10.321 1.00 0.00 C ATOM 727 CE2 PHE A 45 92.576 1.830 10.261 1.00 0.00 C ATOM 728 CZ PHE A 45 93.761 2.075 10.965 1.00 0.00 C ATOM 0 H PHE A 45 93.818 -1.058 4.785 1.00 0.00 H new ATOM 0 HA PHE A 45 95.521 -0.456 7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.511 1.669 6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 45 92.918 0.951 6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 45 96.003 1.493 8.475 1.00 0.00 H new ATOM 0 HD2 PHE A 45 91.714 1.273 8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 45 95.911 2.144 10.865 1.00 0.00 H new ATOM 0 HE2 PHE A 45 91.622 1.924 10.759 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.721 2.358 12.007 1.00 0.00 H new ATOM 738 N ALA A 46 94.230 -2.133 8.364 1.00 0.00 N ATOM 739 CA ALA A 46 93.524 -3.165 9.133 1.00 0.00 C ATOM 740 C ALA A 46 93.247 -4.416 8.287 1.00 0.00 C ATOM 741 O ALA A 46 92.412 -5.243 8.660 1.00 0.00 O ATOM 742 CB ALA A 46 92.199 -2.613 9.682 1.00 0.00 C ATOM 0 H ALA A 46 95.182 -1.954 8.683 1.00 0.00 H new ATOM 0 HA ALA A 46 94.172 -3.451 9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.688 -3.391 10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.401 -1.762 10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.567 -2.294 8.854 1.00 0.00 H new ATOM 748 N GLY A 47 93.963 -4.558 7.162 1.00 0.00 N ATOM 749 CA GLY A 47 93.800 -5.723 6.287 1.00 0.00 C ATOM 750 C GLY A 47 92.969 -5.419 5.034 1.00 0.00 C ATOM 751 O GLY A 47 93.041 -6.159 4.050 1.00 0.00 O ATOM 0 H GLY A 47 94.657 -3.883 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.783 -6.085 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.322 -6.527 6.847 1.00 0.00 H new ATOM 755 N LYS A 48 92.185 -4.339 5.071 1.00 0.00 N ATOM 756 CA LYS A 48 91.346 -3.960 3.925 1.00 0.00 C ATOM 757 C LYS A 48 91.956 -2.775 3.181 1.00 0.00 C ATOM 758 O LYS A 48 92.619 -1.937 3.788 1.00 0.00 O ATOM 759 CB LYS A 48 89.921 -3.604 4.390 1.00 0.00 C ATOM 760 CG LYS A 48 89.962 -2.465 5.422 1.00 0.00 C ATOM 761 CD LYS A 48 88.545 -2.157 5.909 1.00 0.00 C ATOM 762 CE LYS A 48 88.603 -1.044 6.958 1.00 0.00 C ATOM 763 NZ LYS A 48 87.226 -0.734 7.435 1.00 0.00 N ATOM 0 H LYS A 48 92.112 -3.714 5.874 1.00 0.00 H new ATOM 0 HA LYS A 48 91.294 -4.813 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.316 -3.306 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.444 -4.482 4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.593 -2.748 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.405 -1.574 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 48 87.918 -1.851 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.092 -3.052 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.228 -1.353 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.060 -0.151 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.268 0.022 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 86.643 -0.422 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 86.805 -1.586 7.858 1.00 0.00 H new ATOM 777 N GLN A 49 91.713 -2.708 1.871 1.00 0.00 N ATOM 778 CA GLN A 49 92.232 -1.615 1.054 1.00 0.00 C ATOM 779 C GLN A 49 91.446 -0.337 1.294 1.00 0.00 C ATOM 780 O GLN A 49 90.390 -0.355 1.931 1.00 0.00 O ATOM 781 CB GLN A 49 92.152 -1.980 -0.430 1.00 0.00 C ATOM 782 CG GLN A 49 93.227 -3.011 -0.765 1.00 0.00 C ATOM 783 CD GLN A 49 93.115 -3.425 -2.225 1.00 0.00 C ATOM 784 OE1 GLN A 49 92.016 -3.674 -2.720 1.00 0.00 O ATOM 785 NE2 GLN A 49 94.195 -3.507 -2.952 1.00 0.00 N ATOM 0 H GLN A 49 91.162 -3.396 1.357 1.00 0.00 H new ATOM 0 HA GLN A 49 93.272 -1.451 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 49 91.165 -2.380 -0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 49 92.287 -1.088 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 49 94.215 -2.594 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 49 93.118 -3.884 -0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 49 95.105 -3.300 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 49 94.130 -3.778 -3.933 1.00 0.00 H new ATOM 794 N LEU A 50 91.975 0.766 0.768 1.00 0.00 N ATOM 795 CA LEU A 50 91.333 2.066 0.908 1.00 0.00 C ATOM 796 C LEU A 50 90.766 2.519 -0.431 1.00 0.00 C ATOM 797 O LEU A 50 91.488 2.594 -1.428 1.00 0.00 O ATOM 798 CB LEU A 50 92.348 3.093 1.421 1.00 0.00 C ATOM 799 CG LEU A 50 92.757 2.750 2.860 1.00 0.00 C ATOM 800 CD1 LEU A 50 93.986 3.576 3.250 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.606 3.077 3.823 1.00 0.00 C ATOM 0 H LEU A 50 92.848 0.783 0.241 1.00 0.00 H new ATOM 0 HA LEU A 50 90.516 1.982 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.227 3.102 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 50 91.916 4.093 1.385 1.00 0.00 H new ATOM 0 HG LEU A 50 92.989 1.687 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.278 3.334 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.809 3.346 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.747 4.637 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 50 91.903 2.831 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.370 4.139 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.727 2.493 3.551 1.00 0.00 H new ATOM 813 N GLU A 51 89.465 2.804 -0.438 1.00 0.00 N ATOM 814 CA GLU A 51 88.783 3.235 -1.652 1.00 0.00 C ATOM 815 C GLU A 51 89.130 4.686 -1.971 1.00 0.00 C ATOM 816 O GLU A 51 88.975 5.573 -1.127 1.00 0.00 O ATOM 817 CB GLU A 51 87.274 3.091 -1.472 1.00 0.00 C ATOM 818 CG GLU A 51 86.561 3.283 -2.815 1.00 0.00 C ATOM 819 CD GLU A 51 85.050 3.058 -2.673 1.00 0.00 C ATOM 820 OE1 GLU A 51 84.331 3.564 -3.516 1.00 0.00 O ATOM 821 OE2 GLU A 51 84.632 2.375 -1.746 1.00 0.00 O ATOM 0 H GLU A 51 88.864 2.744 0.384 1.00 0.00 H new ATOM 0 HA GLU A 51 89.111 2.608 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.041 2.107 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.914 3.826 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 51 86.749 4.289 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.968 2.588 -3.549 1.00 0.00 H new ATOM 828 N ASP A 52 89.615 4.906 -3.191 1.00 0.00 N ATOM 829 CA ASP A 52 90.010 6.242 -3.635 1.00 0.00 C ATOM 830 C ASP A 52 88.872 7.250 -3.459 1.00 0.00 C ATOM 831 O ASP A 52 89.117 8.419 -3.151 1.00 0.00 O ATOM 832 CB ASP A 52 90.429 6.197 -5.106 1.00 0.00 C ATOM 833 CG ASP A 52 89.273 5.704 -5.970 1.00 0.00 C ATOM 834 OD1 ASP A 52 89.287 4.540 -6.333 1.00 0.00 O ATOM 835 OD2 ASP A 52 88.396 6.500 -6.265 1.00 0.00 O ATOM 0 H ASP A 52 89.744 4.176 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 52 90.850 6.565 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 52 90.739 7.189 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 52 91.289 5.538 -5.226 1.00 0.00 H new ATOM 840 N GLY A 53 87.635 6.792 -3.667 1.00 0.00 N ATOM 841 CA GLY A 53 86.457 7.658 -3.542 1.00 0.00 C ATOM 842 C GLY A 53 86.004 7.838 -2.087 1.00 0.00 C ATOM 843 O GLY A 53 84.917 8.369 -1.839 1.00 0.00 O ATOM 0 H GLY A 53 87.422 5.828 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.682 8.634 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.638 7.235 -4.123 1.00 0.00 H new ATOM 847 N ARG A 54 86.836 7.408 -1.132 1.00 0.00 N ATOM 848 CA ARG A 54 86.509 7.538 0.290 1.00 0.00 C ATOM 849 C ARG A 54 87.505 8.451 0.990 1.00 0.00 C ATOM 850 O ARG A 54 88.589 8.715 0.464 1.00 0.00 O ATOM 851 CB ARG A 54 86.502 6.166 0.967 1.00 0.00 C ATOM 852 CG ARG A 54 85.270 5.383 0.514 1.00 0.00 C ATOM 853 CD ARG A 54 85.208 4.048 1.255 1.00 0.00 C ATOM 854 NE ARG A 54 84.051 3.274 0.793 1.00 0.00 N ATOM 855 CZ ARG A 54 82.821 3.414 1.323 1.00 0.00 C ATOM 856 NH1 ARG A 54 82.580 4.266 2.294 1.00 0.00 N ATOM 857 NH2 ARG A 54 81.842 2.688 0.856 1.00 0.00 N ATOM 0 H ARG A 54 87.737 6.969 -1.318 1.00 0.00 H new ATOM 0 HA ARG A 54 85.514 7.977 0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 54 87.409 5.618 0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.494 6.283 2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.367 5.961 0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.311 5.211 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 54 86.125 3.484 1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.135 4.221 2.329 1.00 0.00 H new ATOM 0 HE ARG A 54 84.184 2.601 0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.335 4.843 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 54 81.638 4.351 2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 54 82.014 2.026 0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 54 80.905 2.783 1.247 1.00 0.00 H new ATOM 871 N THR A 55 87.122 8.930 2.177 1.00 0.00 N ATOM 872 CA THR A 55 87.979 9.822 2.956 1.00 0.00 C ATOM 873 C THR A 55 88.552 9.105 4.173 1.00 0.00 C ATOM 874 O THR A 55 88.057 8.051 4.580 1.00 0.00 O ATOM 875 CB THR A 55 87.192 11.057 3.404 1.00 0.00 C ATOM 876 OG1 THR A 55 85.982 10.646 4.025 1.00 0.00 O ATOM 877 CG2 THR A 55 86.873 11.935 2.192 1.00 0.00 C ATOM 0 H THR A 55 86.227 8.715 2.616 1.00 0.00 H new ATOM 0 HA THR A 55 88.806 10.135 2.319 1.00 0.00 H new ATOM 0 HB THR A 55 87.790 11.629 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.421 10.179 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.313 12.812 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.802 12.252 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.277 11.367 1.478 1.00 0.00 H new ATOM 885 N LEU A 56 89.613 9.685 4.727 1.00 0.00 N ATOM 886 CA LEU A 56 90.293 9.112 5.885 1.00 0.00 C ATOM 887 C LEU A 56 89.356 9.041 7.090 1.00 0.00 C ATOM 888 O LEU A 56 89.371 8.056 7.831 1.00 0.00 O ATOM 889 CB LEU A 56 91.522 9.957 6.235 1.00 0.00 C ATOM 890 CG LEU A 56 92.573 9.846 5.123 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.651 10.911 5.331 1.00 0.00 C ATOM 892 CD2 LEU A 56 93.230 8.459 5.154 1.00 0.00 C ATOM 0 H LEU A 56 90.022 10.556 4.390 1.00 0.00 H new ATOM 0 HA LEU A 56 90.605 8.099 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 56 91.231 10.999 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.946 9.621 7.181 1.00 0.00 H new ATOM 0 HG LEU A 56 92.084 9.993 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.398 10.832 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 56 93.195 11.901 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 56 94.129 10.760 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.974 8.391 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.713 8.307 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.469 7.693 5.004 1.00 0.00 H new ATOM 904 N SER A 57 88.548 10.087 7.279 1.00 0.00 N ATOM 905 CA SER A 57 87.603 10.128 8.399 1.00 0.00 C ATOM 906 C SER A 57 86.592 8.983 8.303 1.00 0.00 C ATOM 907 O SER A 57 86.116 8.479 9.323 1.00 0.00 O ATOM 908 CB SER A 57 86.857 11.462 8.416 1.00 0.00 C ATOM 909 OG SER A 57 86.126 11.610 7.205 1.00 0.00 O ATOM 0 H SER A 57 88.528 10.910 6.677 1.00 0.00 H new ATOM 0 HA SER A 57 88.173 10.019 9.322 1.00 0.00 H new ATOM 0 HB2 SER A 57 86.180 11.502 9.269 1.00 0.00 H new ATOM 0 HB3 SER A 57 87.563 12.285 8.530 1.00 0.00 H new ATOM 0 HG SER A 57 85.646 12.464 7.215 1.00 0.00 H new ATOM 915 N ASP A 58 86.271 8.587 7.070 1.00 0.00 N ATOM 916 CA ASP A 58 85.314 7.504 6.832 1.00 0.00 C ATOM 917 C ASP A 58 85.872 6.144 7.263 1.00 0.00 C ATOM 918 O ASP A 58 85.108 5.200 7.480 1.00 0.00 O ATOM 919 CB ASP A 58 84.951 7.456 5.344 1.00 0.00 C ATOM 920 CG ASP A 58 84.122 8.684 4.938 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.560 9.336 5.810 1.00 0.00 O ATOM 922 OD2 ASP A 58 84.061 8.956 3.751 1.00 0.00 O ATOM 0 H ASP A 58 86.659 8.999 6.221 1.00 0.00 H new ATOM 0 HA ASP A 58 84.427 7.708 7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.861 7.413 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.388 6.547 5.133 1.00 0.00 H new ATOM 927 N TYR A 59 87.201 6.048 7.379 1.00 0.00 N ATOM 928 CA TYR A 59 87.845 4.794 7.778 1.00 0.00 C ATOM 929 C TYR A 59 88.175 4.761 9.272 1.00 0.00 C ATOM 930 O TYR A 59 88.873 3.847 9.722 1.00 0.00 O ATOM 931 CB TYR A 59 89.135 4.588 6.973 1.00 0.00 C ATOM 932 CG TYR A 59 88.812 3.990 5.618 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.559 2.618 5.507 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.769 4.805 4.481 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.262 2.059 4.259 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.472 4.246 3.233 1.00 0.00 C ATOM 937 CZ TYR A 59 88.218 2.874 3.122 1.00 0.00 C ATOM 938 OH TYR A 59 87.923 2.323 1.893 1.00 0.00 O ATOM 0 H TYR A 59 87.847 6.818 7.204 1.00 0.00 H new ATOM 0 HA TYR A 59 87.137 3.991 7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.650 5.540 6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.812 3.930 7.518 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.593 1.990 6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 59 88.965 5.864 4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.067 1.000 4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 59 88.439 4.874 2.355 1.00 0.00 H new ATOM 0 HH TYR A 59 87.114 1.775 1.966 1.00 0.00 H new ATOM 948 N ASN A 60 87.677 5.739 10.046 1.00 0.00 N ATOM 949 CA ASN A 60 87.937 5.777 11.485 1.00 0.00 C ATOM 950 C ASN A 60 89.445 5.808 11.762 1.00 0.00 C ATOM 951 O ASN A 60 89.964 5.048 12.590 1.00 0.00 O ATOM 952 CB ASN A 60 87.283 4.563 12.162 1.00 0.00 C ATOM 953 CG ASN A 60 87.281 4.747 13.673 1.00 0.00 C ATOM 954 OD1 ASN A 60 88.263 4.423 14.340 1.00 0.00 O ATOM 955 ND2 ASN A 60 86.230 5.252 14.258 1.00 0.00 N ATOM 0 H ASN A 60 87.099 6.504 9.699 1.00 0.00 H new ATOM 0 HA ASN A 60 87.503 6.687 11.899 1.00 0.00 H new ATOM 0 HB2 ASN A 60 86.262 4.441 11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.824 3.654 11.899 1.00 0.00 H new ATOM 0 HD21 ASN A 60 86.221 5.379 15.270 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.417 5.520 13.703 1.00 0.00 H new ATOM 962 N ILE A 61 90.141 6.707 11.064 1.00 0.00 N ATOM 963 CA ILE A 61 91.588 6.854 11.233 1.00 0.00 C ATOM 964 C ILE A 61 91.856 8.074 12.110 1.00 0.00 C ATOM 965 O ILE A 61 91.410 9.181 11.794 1.00 0.00 O ATOM 966 CB ILE A 61 92.281 7.019 9.864 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.947 5.814 8.963 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.805 7.092 10.061 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.304 6.134 7.508 1.00 0.00 C ATOM 0 H ILE A 61 89.729 7.341 10.380 1.00 0.00 H new ATOM 0 HA ILE A 61 91.991 5.960 11.708 1.00 0.00 H new ATOM 0 HB ILE A 61 91.927 7.937 9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.499 4.935 9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.887 5.573 9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.292 7.208 9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 61 94.050 7.944 10.695 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.155 6.175 10.535 1.00 0.00 H new ATOM 0 HD11 ILE A 61 92.065 5.277 6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.732 7.000 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.369 6.352 7.434 1.00 0.00 H new ATOM 981 N GLN A 62 92.568 7.855 13.216 1.00 0.00 N ATOM 982 CA GLN A 62 92.873 8.932 14.151 1.00 0.00 C ATOM 983 C GLN A 62 94.274 9.495 13.902 1.00 0.00 C ATOM 984 O GLN A 62 94.959 9.087 12.962 1.00 0.00 O ATOM 985 CB GLN A 62 92.755 8.411 15.591 1.00 0.00 C ATOM 986 CG GLN A 62 91.291 8.081 15.896 1.00 0.00 C ATOM 987 CD GLN A 62 91.150 7.571 17.328 1.00 0.00 C ATOM 988 OE1 GLN A 62 91.696 8.166 18.257 1.00 0.00 O ATOM 989 NE2 GLN A 62 90.439 6.501 17.562 1.00 0.00 N ATOM 0 H GLN A 62 92.942 6.944 13.483 1.00 0.00 H new ATOM 0 HA GLN A 62 92.157 9.739 13.999 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.374 7.523 15.720 1.00 0.00 H new ATOM 0 HB3 GLN A 62 93.124 9.160 16.292 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.674 8.969 15.757 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.928 7.328 15.197 1.00 0.00 H new ATOM 0 HE21 GLN A 62 89.988 6.010 16.790 1.00 0.00 H new ATOM 0 HE22 GLN A 62 90.335 6.156 18.516 1.00 0.00 H new ATOM 998 N LYS A 63 94.677 10.433 14.756 1.00 0.00 N ATOM 999 CA LYS A 63 95.982 11.072 14.658 1.00 0.00 C ATOM 1000 C LYS A 63 97.102 10.062 14.869 1.00 0.00 C ATOM 1001 O LYS A 63 97.006 9.184 15.729 1.00 0.00 O ATOM 1002 CB LYS A 63 96.090 12.167 15.718 1.00 0.00 C ATOM 1003 CG LYS A 63 95.107 13.287 15.389 1.00 0.00 C ATOM 1004 CD LYS A 63 95.243 14.412 16.414 1.00 0.00 C ATOM 1005 CE LYS A 63 94.342 15.579 16.008 1.00 0.00 C ATOM 1006 NZ LYS A 63 92.926 15.258 16.345 1.00 0.00 N ATOM 0 H LYS A 63 94.108 10.769 15.533 1.00 0.00 H new ATOM 0 HA LYS A 63 96.082 11.499 13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.874 11.757 16.704 1.00 0.00 H new ATOM 0 HB3 LYS A 63 97.107 12.558 15.751 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.300 13.670 14.387 1.00 0.00 H new ATOM 0 HG3 LYS A 63 94.088 12.901 15.392 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.966 14.052 17.405 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.280 14.742 16.473 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.652 16.488 16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 63 94.438 15.771 14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 92.321 16.072 16.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 92.617 14.431 15.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 92.850 15.046 17.360 1.00 0.00 H new ATOM 1020 N GLU A 64 98.160 10.199 14.070 1.00 0.00 N ATOM 1021 CA GLU A 64 99.310 9.304 14.152 1.00 0.00 C ATOM 1022 C GLU A 64 98.881 7.843 14.003 1.00 0.00 C ATOM 1023 O GLU A 64 98.697 7.124 14.992 1.00 0.00 O ATOM 1024 CB GLU A 64 100.035 9.510 15.482 1.00 0.00 C ATOM 1025 CG GLU A 64 100.731 10.877 15.501 1.00 0.00 C ATOM 1026 CD GLU A 64 101.387 11.149 16.866 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.924 12.231 17.015 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.352 10.285 17.738 1.00 0.00 O ATOM 0 H GLU A 64 98.243 10.924 13.357 1.00 0.00 H new ATOM 0 HA GLU A 64 99.989 9.541 13.333 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.324 9.444 16.306 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.769 8.718 15.631 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.488 10.914 14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 64 100.006 11.660 15.281 1.00 0.00 H new ATOM 1035 N SER A 65 98.739 7.413 12.750 1.00 0.00 N ATOM 1036 CA SER A 65 98.349 6.040 12.444 1.00 0.00 C ATOM 1037 C SER A 65 99.331 5.447 11.442 1.00 0.00 C ATOM 1038 O SER A 65 99.905 6.178 10.629 1.00 0.00 O ATOM 1039 CB SER A 65 96.928 6.010 11.874 1.00 0.00 C ATOM 1040 OG SER A 65 96.015 6.429 12.878 1.00 0.00 O ATOM 0 H SER A 65 98.889 7.999 11.929 1.00 0.00 H new ATOM 0 HA SER A 65 98.367 5.447 13.359 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.858 6.664 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.680 5.004 11.536 1.00 0.00 H new ATOM 0 HG SER A 65 95.777 7.368 12.732 1.00 0.00 H new ATOM 1046 N THR A 66 99.526 4.129 11.508 1.00 0.00 N ATOM 1047 CA THR A 66 100.455 3.454 10.605 1.00 0.00 C ATOM 1048 C THR A 66 99.704 2.740 9.488 1.00 0.00 C ATOM 1049 O THR A 66 98.946 1.798 9.733 1.00 0.00 O ATOM 1050 CB THR A 66 101.299 2.443 11.386 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.821 3.067 12.552 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.457 1.952 10.511 1.00 0.00 C ATOM 0 H THR A 66 99.057 3.513 12.172 1.00 0.00 H new ATOM 0 HA THR A 66 101.106 4.206 10.159 1.00 0.00 H new ATOM 0 HB THR A 66 100.676 1.595 11.670 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.360 2.422 13.055 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.056 1.233 11.070 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.059 1.475 9.615 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.081 2.799 10.225 1.00 0.00 H new ATOM 1060 N LEU A 67 99.930 3.203 8.259 1.00 0.00 N ATOM 1061 CA LEU A 67 99.286 2.622 7.085 1.00 0.00 C ATOM 1062 C LEU A 67 100.261 1.725 6.339 1.00 0.00 C ATOM 1063 O LEU A 67 101.475 1.929 6.402 1.00 0.00 O ATOM 1064 CB LEU A 67 98.804 3.736 6.150 1.00 0.00 C ATOM 1065 CG LEU A 67 97.647 4.509 6.800 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.442 5.835 6.061 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.354 3.687 6.706 1.00 0.00 C ATOM 0 H LEU A 67 100.556 3.981 8.052 1.00 0.00 H new ATOM 0 HA LEU A 67 98.434 2.028 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.626 4.416 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.479 3.309 5.201 1.00 0.00 H new ATOM 0 HG LEU A 67 97.888 4.696 7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.621 6.385 6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.354 6.429 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.205 5.636 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.537 4.240 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.118 3.499 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.488 2.737 7.224 1.00 0.00 H new ATOM 1079 N HIS A 68 99.717 0.733 5.636 1.00 0.00 N ATOM 1080 CA HIS A 68 100.537 -0.199 4.870 1.00 0.00 C ATOM 1081 C HIS A 68 100.501 0.155 3.392 1.00 0.00 C ATOM 1082 O HIS A 68 99.426 0.306 2.806 1.00 0.00 O ATOM 1083 CB HIS A 68 100.031 -1.630 5.064 1.00 0.00 C ATOM 1084 CG HIS A 68 100.363 -2.097 6.454 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.647 -2.472 6.817 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.595 -2.255 7.581 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.615 -2.832 8.112 1.00 0.00 C ATOM 1088 NE2 HIS A 68 100.388 -2.718 8.626 1.00 0.00 N ATOM 0 H HIS A 68 98.714 0.556 5.582 1.00 0.00 H new ATOM 0 HA HIS A 68 101.564 -0.128 5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 68 98.954 -1.671 4.903 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.488 -2.291 4.328 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.536 -2.051 7.646 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.476 -3.172 8.668 1.00 0.00 H new ATOM 0 HE2 HIS A 68 100.095 -2.926 9.581 1.00 0.00 H new ATOM 1096 N LEU A 69 101.687 0.284 2.796 1.00 0.00 N ATOM 1097 CA LEU A 69 101.798 0.615 1.382 1.00 0.00 C ATOM 1098 C LEU A 69 102.330 -0.579 0.607 1.00 0.00 C ATOM 1099 O LEU A 69 103.318 -1.200 1.008 1.00 0.00 O ATOM 1100 CB LEU A 69 102.739 1.810 1.180 1.00 0.00 C ATOM 1101 CG LEU A 69 102.653 2.293 -0.278 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.359 3.083 -0.483 1.00 0.00 C ATOM 1103 CD2 LEU A 69 103.852 3.190 -0.600 1.00 0.00 C ATOM 0 H LEU A 69 102.581 0.164 3.273 1.00 0.00 H new ATOM 0 HA LEU A 69 100.806 0.877 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.467 2.619 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.763 1.524 1.419 1.00 0.00 H new ATOM 0 HG LEU A 69 102.661 1.428 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.301 3.424 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.504 2.444 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.349 3.945 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.786 3.529 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.850 4.053 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 69 104.775 2.627 -0.461 1.00 0.00 H new ATOM 1115 N VAL A 70 101.675 -0.883 -0.510 1.00 0.00 N ATOM 1116 CA VAL A 70 102.079 -1.990 -1.366 1.00 0.00 C ATOM 1117 C VAL A 70 102.238 -1.448 -2.785 1.00 0.00 C ATOM 1118 O VAL A 70 101.544 -0.499 -3.164 1.00 0.00 O ATOM 1119 CB VAL A 70 101.010 -3.106 -1.341 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.463 -4.288 -2.214 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.788 -3.589 0.104 1.00 0.00 C ATOM 0 H VAL A 70 100.857 -0.373 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 70 103.018 -2.416 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 70 100.075 -2.706 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.704 -5.070 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.604 -3.949 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.403 -4.684 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 70 100.033 -4.375 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.723 -3.979 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.450 -2.755 0.719 1.00 0.00 H new ATOM 1131 N LEU A 71 103.144 -2.043 -3.561 1.00 0.00 N ATOM 1132 CA LEU A 71 103.367 -1.594 -4.936 1.00 0.00 C ATOM 1133 C LEU A 71 102.851 -2.634 -5.918 1.00 0.00 C ATOM 1134 O LEU A 71 103.181 -3.818 -5.808 1.00 0.00 O ATOM 1135 CB LEU A 71 104.860 -1.347 -5.182 1.00 0.00 C ATOM 1136 CG LEU A 71 105.052 -0.614 -6.521 1.00 0.00 C ATOM 1137 CD1 LEU A 71 104.734 0.876 -6.350 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.501 -0.767 -6.992 1.00 0.00 C ATOM 0 H LEU A 71 103.728 -2.826 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 71 102.825 -0.661 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.279 -0.754 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.398 -2.295 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 71 104.379 -1.048 -7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 71 104.872 1.389 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 71 103.701 0.992 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.402 1.308 -5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 71 106.632 -0.246 -7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.173 -0.340 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 71 106.731 -1.824 -7.124 1.00 0.00 H new ATOM 1150 N ARG A 72 102.047 -2.180 -6.884 1.00 0.00 N ATOM 1151 CA ARG A 72 101.495 -3.068 -7.891 1.00 0.00 C ATOM 1152 C ARG A 72 102.193 -2.831 -9.226 1.00 0.00 C ATOM 1153 O ARG A 72 101.748 -2.013 -10.035 1.00 0.00 O ATOM 1154 CB ARG A 72 99.988 -2.828 -8.028 1.00 0.00 C ATOM 1155 CG ARG A 72 99.395 -3.833 -9.019 1.00 0.00 C ATOM 1156 CD ARG A 72 97.889 -3.649 -9.076 1.00 0.00 C ATOM 1157 NE ARG A 72 97.285 -4.679 -9.928 1.00 0.00 N ATOM 1158 CZ ARG A 72 97.127 -4.527 -11.256 1.00 0.00 C ATOM 1159 NH1 ARG A 72 97.508 -3.434 -11.878 1.00 0.00 N ATOM 1160 NH2 ARG A 72 96.584 -5.493 -11.944 1.00 0.00 N ATOM 0 H ARG A 72 101.769 -1.204 -6.983 1.00 0.00 H new ATOM 0 HA ARG A 72 101.658 -4.102 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.504 -2.931 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 72 99.801 -1.810 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 72 99.829 -3.686 -10.008 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.638 -4.850 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.470 -3.706 -8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.651 -2.659 -9.465 1.00 0.00 H new ATOM 0 HE ARG A 72 96.971 -5.548 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 72 97.937 -2.672 -11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 72 97.375 -3.348 -12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 72 96.286 -6.348 -11.475 1.00 0.00 H new ATOM 0 HH22 ARG A 72 96.457 -5.393 -12.951 1.00 0.00 H new ATOM 1174 N LEU A 73 103.284 -3.564 -9.448 1.00 0.00 N ATOM 1175 CA LEU A 73 104.052 -3.445 -10.691 1.00 0.00 C ATOM 1176 C LEU A 73 103.114 -3.469 -11.908 1.00 0.00 C ATOM 1177 O LEU A 73 102.711 -2.411 -12.400 1.00 0.00 O ATOM 1178 CB LEU A 73 105.080 -4.588 -10.785 1.00 0.00 C ATOM 1179 CG LEU A 73 106.196 -4.386 -9.767 1.00 0.00 C ATOM 1180 CD1 LEU A 73 107.001 -5.682 -9.644 1.00 0.00 C ATOM 1181 CD2 LEU A 73 107.121 -3.259 -10.240 1.00 0.00 C ATOM 0 H LEU A 73 103.656 -4.245 -8.786 1.00 0.00 H new ATOM 0 HA LEU A 73 104.582 -2.493 -10.685 1.00 0.00 H new ATOM 0 HB2 LEU A 73 104.587 -5.544 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 73 105.499 -4.626 -11.790 1.00 0.00 H new ATOM 0 HG LEU A 73 105.767 -4.123 -8.800 1.00 0.00 H new ATOM 0 HD11 LEU A 73 107.802 -5.545 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 73 106.345 -6.488 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 73 107.430 -5.937 -10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 73 107.919 -3.114 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 107.553 -3.524 -11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 73 106.549 -2.336 -10.340 1.00 0.00 H new ATOM 1193 N ARG A 74 102.761 -4.673 -12.371 1.00 0.00 N ATOM 1194 CA ARG A 74 101.873 -4.823 -13.499 1.00 0.00 C ATOM 1195 C ARG A 74 100.985 -6.041 -13.295 1.00 0.00 C ATOM 1196 O ARG A 74 101.420 -7.048 -12.731 1.00 0.00 O ATOM 1197 CB ARG A 74 102.691 -4.975 -14.784 1.00 0.00 C ATOM 1198 CG ARG A 74 103.424 -3.662 -15.084 1.00 0.00 C ATOM 1199 CD ARG A 74 104.310 -3.839 -16.317 1.00 0.00 C ATOM 1200 NE ARG A 74 103.480 -4.074 -17.503 1.00 0.00 N ATOM 1201 CZ ARG A 74 103.995 -4.409 -18.701 1.00 0.00 C ATOM 1202 NH1 ARG A 74 105.289 -4.546 -18.883 1.00 0.00 N ATOM 1203 NH2 ARG A 74 103.187 -4.603 -19.707 1.00 0.00 N ATOM 0 H ARG A 74 103.085 -5.554 -11.971 1.00 0.00 H new ATOM 0 HA ARG A 74 101.244 -3.937 -13.584 1.00 0.00 H new ATOM 0 HB2 ARG A 74 103.409 -5.788 -14.676 1.00 0.00 H new ATOM 0 HB3 ARG A 74 102.036 -5.236 -15.615 1.00 0.00 H new ATOM 0 HG2 ARG A 74 102.703 -2.862 -15.254 1.00 0.00 H new ATOM 0 HG3 ARG A 74 104.030 -3.368 -14.227 1.00 0.00 H new ATOM 0 HD2 ARG A 74 104.925 -2.951 -16.464 1.00 0.00 H new ATOM 0 HD3 ARG A 74 104.991 -4.677 -16.168 1.00 0.00 H new ATOM 0 HE ARG A 74 102.468 -3.979 -17.416 1.00 0.00 H new ATOM 0 HH11 ARG A 74 105.932 -4.398 -18.105 1.00 0.00 H new ATOM 0 HH12 ARG A 74 105.651 -4.801 -19.802 1.00 0.00 H new ATOM 0 HH21 ARG A 74 102.180 -4.500 -19.580 1.00 0.00 H new ATOM 0 HH22 ARG A 74 103.562 -4.857 -20.621 1.00 0.00 H new ATOM 1217 N GLY A 75 99.751 -5.941 -13.775 1.00 0.00 N ATOM 1218 CA GLY A 75 98.800 -7.047 -13.671 1.00 0.00 C ATOM 1219 C GLY A 75 98.966 -8.035 -14.837 1.00 0.00 C ATOM 1220 O GLY A 75 98.147 -8.945 -15.004 1.00 0.00 O ATOM 0 H GLY A 75 99.384 -5.110 -14.239 1.00 0.00 H new ATOM 0 HA2 GLY A 75 98.947 -7.569 -12.725 1.00 0.00 H new ATOM 0 HA3 GLY A 75 97.783 -6.656 -13.664 1.00 0.00 H new ATOM 1224 N GLY A 76 100.023 -7.844 -15.643 1.00 0.00 N ATOM 1225 CA GLY A 76 100.287 -8.704 -16.783 1.00 0.00 C ATOM 1226 C GLY A 76 99.273 -8.454 -17.890 1.00 0.00 C ATOM 1227 O GLY A 76 98.245 -7.860 -17.605 1.00 0.00 O ATOM 1228 OXT GLY A 76 99.539 -8.855 -19.011 1.00 0.00 O ATOM 0 H GLY A 76 100.705 -7.096 -15.516 1.00 0.00 H new ATOM 0 HA2 GLY A 76 101.294 -8.521 -17.157 1.00 0.00 H new ATOM 0 HA3 GLY A 76 100.246 -9.749 -16.474 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 114.500 -9.732 -10.398 1.00 0.00 N ATOM 1234 CA GLN B 198 114.874 -9.613 -8.960 1.00 0.00 C ATOM 1235 C GLN B 198 113.892 -10.425 -8.121 1.00 0.00 C ATOM 1236 O GLN B 198 112.677 -10.326 -8.309 1.00 0.00 O ATOM 1237 CB GLN B 198 114.835 -8.136 -8.547 1.00 0.00 C ATOM 1238 CG GLN B 198 115.402 -7.969 -7.131 1.00 0.00 C ATOM 1239 CD GLN B 198 116.893 -8.298 -7.111 1.00 0.00 C ATOM 1240 OE1 GLN B 198 117.623 -7.939 -8.035 1.00 0.00 O ATOM 1241 NE2 GLN B 198 117.390 -8.963 -6.104 1.00 0.00 N ATOM 0 HA GLN B 198 115.882 -9.997 -8.801 1.00 0.00 H new ATOM 0 HB2 GLN B 198 115.413 -7.538 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN B 198 113.810 -7.767 -8.582 1.00 0.00 H new ATOM 0 HG2 GLN B 198 115.244 -6.947 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN B 198 114.870 -8.623 -6.440 1.00 0.00 H new ATOM 0 HE21 GLN B 198 116.783 -9.259 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN B 198 118.385 -9.186 -6.082 1.00 0.00 H new ATOM 1250 N VAL B 199 114.433 -11.227 -7.203 1.00 0.00 N ATOM 1251 CA VAL B 199 113.606 -12.067 -6.334 1.00 0.00 C ATOM 1252 C VAL B 199 113.501 -11.425 -4.954 1.00 0.00 C ATOM 1253 O VAL B 199 114.515 -11.106 -4.328 1.00 0.00 O ATOM 1254 CB VAL B 199 114.215 -13.480 -6.210 1.00 0.00 C ATOM 1255 CG1 VAL B 199 113.309 -14.377 -5.354 1.00 0.00 C ATOM 1256 CG2 VAL B 199 114.364 -14.113 -7.599 1.00 0.00 C ATOM 0 H VAL B 199 115.437 -11.313 -7.042 1.00 0.00 H new ATOM 0 HA VAL B 199 112.611 -12.155 -6.771 1.00 0.00 H new ATOM 0 HB VAL B 199 115.193 -13.390 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL B 199 113.751 -15.370 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL B 199 113.206 -13.945 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL B 199 112.327 -14.453 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL B 199 114.794 -15.110 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL B 199 113.385 -14.186 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL B 199 115.019 -13.494 -8.213 1.00 0.00 H new ATOM 1266 N THR B 200 112.265 -11.243 -4.498 1.00 0.00 N ATOM 1267 CA THR B 200 112.008 -10.636 -3.196 1.00 0.00 C ATOM 1268 C THR B 200 110.733 -11.206 -2.589 1.00 0.00 C ATOM 1269 O THR B 200 109.894 -11.752 -3.306 1.00 0.00 O ATOM 1270 CB THR B 200 111.881 -9.108 -3.335 1.00 0.00 C ATOM 1271 OG1 THR B 200 111.573 -8.547 -2.067 1.00 0.00 O ATOM 1272 CG2 THR B 200 110.768 -8.752 -4.334 1.00 0.00 C ATOM 0 H THR B 200 111.425 -11.508 -5.012 1.00 0.00 H new ATOM 0 HA THR B 200 112.846 -10.864 -2.538 1.00 0.00 H new ATOM 0 HB THR B 200 112.825 -8.705 -3.702 1.00 0.00 H new ATOM 0 HG1 THR B 200 111.493 -7.574 -2.151 1.00 0.00 H new ATOM 0 HG21 THR B 200 110.690 -7.668 -4.421 1.00 0.00 H new ATOM 0 HG22 THR B 200 111.004 -9.179 -5.309 1.00 0.00 H new ATOM 0 HG23 THR B 200 109.819 -9.156 -3.981 1.00 0.00 H new ATOM 1280 N LYS B 201 110.597 -11.064 -1.272 1.00 0.00 N ATOM 1281 CA LYS B 201 109.418 -11.556 -0.566 1.00 0.00 C ATOM 1282 C LYS B 201 108.922 -10.516 0.429 1.00 0.00 C ATOM 1283 O LYS B 201 109.706 -9.726 0.963 1.00 0.00 O ATOM 1284 CB LYS B 201 109.748 -12.863 0.152 1.00 0.00 C ATOM 1285 CG LYS B 201 109.969 -13.967 -0.887 1.00 0.00 C ATOM 1286 CD LYS B 201 110.380 -15.259 -0.181 1.00 0.00 C ATOM 1287 CE LYS B 201 110.620 -16.353 -1.222 1.00 0.00 C ATOM 1288 NZ LYS B 201 111.050 -17.603 -0.535 1.00 0.00 N ATOM 0 H LYS B 201 111.289 -10.612 -0.674 1.00 0.00 H new ATOM 0 HA LYS B 201 108.626 -11.742 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.641 -12.740 0.765 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.935 -13.138 0.825 1.00 0.00 H new ATOM 0 HG2 LYS B 201 109.056 -14.128 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.741 -13.665 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS B 201 111.284 -15.094 0.405 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.601 -15.569 0.516 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.709 -16.533 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS B 201 111.383 -16.034 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 111.214 -18.349 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.929 -17.425 -0.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 110.307 -17.909 0.126 1.00 0.00 H new ATOM 1302 N VAL B 202 107.614 -10.529 0.666 1.00 0.00 N ATOM 1303 CA VAL B 202 106.989 -9.591 1.597 1.00 0.00 C ATOM 1304 C VAL B 202 105.813 -10.258 2.305 1.00 0.00 C ATOM 1305 O VAL B 202 105.078 -11.043 1.700 1.00 0.00 O ATOM 1306 CB VAL B 202 106.515 -8.323 0.862 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.733 -7.568 0.315 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.578 -8.700 -0.297 1.00 0.00 C ATOM 0 H VAL B 202 106.964 -11.180 0.226 1.00 0.00 H new ATOM 0 HA VAL B 202 107.732 -9.299 2.339 1.00 0.00 H new ATOM 0 HB VAL B 202 105.972 -7.687 1.561 1.00 0.00 H new ATOM 0 HG11 VAL B 202 107.401 -6.670 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.388 -7.288 1.140 1.00 0.00 H new ATOM 0 HG13 VAL B 202 108.277 -8.209 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL B 202 105.250 -7.795 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL B 202 106.109 -9.342 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.710 -9.230 0.095 1.00 0.00 H new ATOM 1318 N ASP B 203 105.653 -9.944 3.588 1.00 0.00 N ATOM 1319 CA ASP B 203 104.575 -10.513 4.396 1.00 0.00 C ATOM 1320 C ASP B 203 103.237 -9.857 4.055 1.00 0.00 C ATOM 1321 O ASP B 203 103.207 -8.724 3.570 1.00 0.00 O ATOM 1322 CB ASP B 203 104.879 -10.303 5.878 1.00 0.00 C ATOM 1323 CG ASP B 203 103.884 -11.081 6.731 1.00 0.00 C ATOM 1324 OD1 ASP B 203 103.126 -10.448 7.448 1.00 0.00 O ATOM 1325 OD2 ASP B 203 103.894 -12.299 6.656 1.00 0.00 O ATOM 0 H ASP B 203 106.258 -9.296 4.093 1.00 0.00 H new ATOM 0 HA ASP B 203 104.507 -11.579 4.179 1.00 0.00 H new ATOM 0 HB2 ASP B 203 105.895 -10.631 6.099 1.00 0.00 H new ATOM 0 HB3 ASP B 203 104.827 -9.242 6.121 1.00 0.00 H new ATOM 1330 N CYS B 204 102.134 -10.569 4.322 1.00 0.00 N ATOM 1331 CA CYS B 204 100.801 -10.028 4.048 1.00 0.00 C ATOM 1332 C CYS B 204 100.272 -9.268 5.285 1.00 0.00 C ATOM 1333 O CYS B 204 100.206 -9.848 6.366 1.00 0.00 O ATOM 1334 CB CYS B 204 99.815 -11.145 3.681 1.00 0.00 C ATOM 1335 SG CYS B 204 98.187 -10.430 3.288 1.00 0.00 S ATOM 0 H CYS B 204 102.139 -11.507 4.722 1.00 0.00 H new ATOM 0 HA CYS B 204 100.885 -9.344 3.203 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.191 -11.707 2.826 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.723 -11.848 4.509 1.00 0.00 H new ATOM 1340 N PRO B 205 99.887 -7.998 5.171 1.00 0.00 N ATOM 1341 CA PRO B 205 99.356 -7.220 6.343 1.00 0.00 C ATOM 1342 C PRO B 205 97.940 -7.657 6.753 1.00 0.00 C ATOM 1343 O PRO B 205 97.434 -7.255 7.803 1.00 0.00 O ATOM 1344 CB PRO B 205 99.348 -5.770 5.847 1.00 0.00 C ATOM 1345 CG PRO B 205 99.269 -5.846 4.358 1.00 0.00 C ATOM 1346 CD PRO B 205 99.903 -7.167 3.943 1.00 0.00 C ATOM 0 HA PRO B 205 99.966 -7.374 7.233 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.499 -5.222 6.256 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.249 -5.244 6.164 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.233 -5.794 4.024 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.793 -5.007 3.901 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.340 -7.640 3.138 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.920 -7.020 3.578 1.00 0.00 H new ATOM 1354 N VAL B 206 97.312 -8.464 5.900 1.00 0.00 N ATOM 1355 CA VAL B 206 95.948 -8.954 6.120 1.00 0.00 C ATOM 1356 C VAL B 206 95.939 -10.264 6.891 1.00 0.00 C ATOM 1357 O VAL B 206 95.155 -10.452 7.824 1.00 0.00 O ATOM 1358 CB VAL B 206 95.286 -9.260 4.758 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.804 -9.629 4.940 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.415 -8.076 3.794 1.00 0.00 C ATOM 0 H VAL B 206 97.734 -8.799 5.034 1.00 0.00 H new ATOM 0 HA VAL B 206 95.420 -8.181 6.678 1.00 0.00 H new ATOM 0 HB VAL B 206 95.811 -10.112 4.326 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.360 -9.840 3.967 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.724 -10.511 5.575 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.277 -8.797 5.407 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.939 -8.325 2.846 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.929 -7.201 4.225 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.469 -7.858 3.624 1.00 0.00 H new ATOM 1370 N CYS B 207 96.762 -11.192 6.417 1.00 0.00 N ATOM 1371 CA CYS B 207 96.807 -12.533 6.972 1.00 0.00 C ATOM 1372 C CYS B 207 98.217 -12.945 7.407 1.00 0.00 C ATOM 1373 O CYS B 207 98.374 -13.912 8.155 1.00 0.00 O ATOM 1374 CB CYS B 207 96.245 -13.483 5.893 1.00 0.00 C ATOM 1375 SG CYS B 207 97.479 -13.836 4.602 1.00 0.00 S ATOM 0 H CYS B 207 97.410 -11.036 5.645 1.00 0.00 H new ATOM 0 HA CYS B 207 96.208 -12.578 7.881 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.928 -14.416 6.359 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.360 -13.036 5.439 1.00 0.00 H new ATOM 1380 N GLY B 208 99.227 -12.213 6.937 1.00 0.00 N ATOM 1381 CA GLY B 208 100.609 -12.516 7.287 1.00 0.00 C ATOM 1382 C GLY B 208 101.047 -13.840 6.686 1.00 0.00 C ATOM 1383 O GLY B 208 101.110 -14.858 7.380 1.00 0.00 O ATOM 0 H GLY B 208 99.113 -11.411 6.317 1.00 0.00 H new ATOM 0 HA2 GLY B 208 101.261 -11.718 6.931 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.713 -12.553 8.371 1.00 0.00 H new ATOM 1387 N VAL B 209 101.354 -13.811 5.390 1.00 0.00 N ATOM 1388 CA VAL B 209 101.805 -14.996 4.679 1.00 0.00 C ATOM 1389 C VAL B 209 102.999 -14.626 3.799 1.00 0.00 C ATOM 1390 O VAL B 209 102.997 -13.575 3.151 1.00 0.00 O ATOM 1391 CB VAL B 209 100.653 -15.587 3.839 1.00 0.00 C ATOM 1392 CG1 VAL B 209 101.162 -16.716 2.928 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.596 -16.158 4.784 1.00 0.00 C ATOM 0 H VAL B 209 101.297 -12.972 4.812 1.00 0.00 H new ATOM 0 HA VAL B 209 102.117 -15.759 5.393 1.00 0.00 H new ATOM 0 HB VAL B 209 100.232 -14.797 3.218 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.332 -17.116 2.346 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.922 -16.324 2.253 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.593 -17.509 3.538 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.776 -16.579 4.202 1.00 0.00 H new ATOM 0 HG22 VAL B 209 100.042 -16.939 5.400 1.00 0.00 H new ATOM 0 HG23 VAL B 209 99.215 -15.364 5.426 1.00 0.00 H new ATOM 1403 N ASN B 210 103.999 -15.504 3.777 1.00 0.00 N ATOM 1404 CA ASN B 210 105.187 -15.279 2.967 1.00 0.00 C ATOM 1405 C ASN B 210 104.808 -15.394 1.503 1.00 0.00 C ATOM 1406 O ASN B 210 104.328 -16.442 1.062 1.00 0.00 O ATOM 1407 CB ASN B 210 106.259 -16.310 3.307 1.00 0.00 C ATOM 1408 CG ASN B 210 107.570 -15.926 2.642 1.00 0.00 C ATOM 1409 OD1 ASN B 210 108.127 -16.703 1.866 1.00 0.00 O ATOM 1410 ND2 ASN B 210 108.097 -14.762 2.897 1.00 0.00 N ATOM 0 H ASN B 210 104.008 -16.374 4.310 1.00 0.00 H new ATOM 0 HA ASN B 210 105.586 -14.285 3.171 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.392 -16.368 4.387 1.00 0.00 H new ATOM 0 HB3 ASN B 210 105.946 -17.298 2.971 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.975 -14.491 2.453 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.632 -14.122 3.540 1.00 0.00 H new ATOM 1417 N ILE B 211 105.005 -14.307 0.759 1.00 0.00 N ATOM 1418 CA ILE B 211 104.654 -14.293 -0.662 1.00 0.00 C ATOM 1419 C ILE B 211 105.562 -13.321 -1.442 1.00 0.00 C ATOM 1420 O ILE B 211 105.845 -12.227 -0.947 1.00 0.00 O ATOM 1421 CB ILE B 211 103.172 -13.882 -0.868 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.244 -14.793 -0.034 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.803 -14.014 -2.361 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.806 -14.283 -0.080 1.00 0.00 C ATOM 0 H ILE B 211 105.400 -13.435 1.109 1.00 0.00 H new ATOM 0 HA ILE B 211 104.798 -15.305 -1.041 1.00 0.00 H new ATOM 0 HB ILE B 211 103.045 -12.849 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.286 -15.812 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.591 -14.826 0.999 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.762 -13.725 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.446 -13.363 -2.954 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.940 -15.047 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE B 211 100.168 -14.938 0.513 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.765 -13.272 0.326 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.456 -14.274 -1.112 1.00 0.00 H new ATOM 1436 N PRO B 212 106.001 -13.670 -2.653 1.00 0.00 N ATOM 1437 CA PRO B 212 106.852 -12.763 -3.478 1.00 0.00 C ATOM 1438 C PRO B 212 106.156 -11.428 -3.716 1.00 0.00 C ATOM 1439 O PRO B 212 104.935 -11.326 -3.569 1.00 0.00 O ATOM 1440 CB PRO B 212 107.058 -13.519 -4.799 1.00 0.00 C ATOM 1441 CG PRO B 212 106.785 -14.949 -4.488 1.00 0.00 C ATOM 1442 CD PRO B 212 105.759 -14.952 -3.365 1.00 0.00 C ATOM 0 HA PRO B 212 107.796 -12.526 -2.988 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.383 -13.150 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO B 212 108.073 -13.386 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO B 212 106.403 -15.472 -5.365 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.697 -15.462 -4.183 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.742 -15.007 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.894 -15.808 -2.703 1.00 0.00 H new ATOM 1450 N GLU B 213 106.936 -10.415 -4.085 1.00 0.00 N ATOM 1451 CA GLU B 213 106.380 -9.087 -4.349 1.00 0.00 C ATOM 1452 C GLU B 213 105.536 -9.081 -5.635 1.00 0.00 C ATOM 1453 O GLU B 213 104.734 -8.170 -5.850 1.00 0.00 O ATOM 1454 CB GLU B 213 107.510 -8.051 -4.458 1.00 0.00 C ATOM 1455 CG GLU B 213 106.924 -6.627 -4.495 1.00 0.00 C ATOM 1456 CD GLU B 213 106.200 -6.296 -3.186 1.00 0.00 C ATOM 1457 OE1 GLU B 213 105.271 -5.511 -3.242 1.00 0.00 O ATOM 1458 OE2 GLU B 213 106.586 -6.817 -2.150 1.00 0.00 O ATOM 0 H GLU B 213 107.946 -10.485 -4.208 1.00 0.00 H new ATOM 0 HA GLU B 213 105.730 -8.824 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.188 -8.151 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.096 -8.235 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU B 213 107.723 -5.906 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.230 -6.537 -5.331 1.00 0.00 H new ATOM 1465 N SER B 214 105.730 -10.091 -6.485 1.00 0.00 N ATOM 1466 CA SER B 214 104.991 -10.189 -7.738 1.00 0.00 C ATOM 1467 C SER B 214 103.650 -10.888 -7.528 1.00 0.00 C ATOM 1468 O SER B 214 102.622 -10.438 -8.042 1.00 0.00 O ATOM 1469 CB SER B 214 105.820 -10.972 -8.751 1.00 0.00 C ATOM 1470 OG SER B 214 106.197 -12.219 -8.181 1.00 0.00 O ATOM 0 H SER B 214 106.392 -10.850 -6.326 1.00 0.00 H new ATOM 0 HA SER B 214 104.799 -9.182 -8.109 1.00 0.00 H new ATOM 0 HB2 SER B 214 105.245 -11.134 -9.662 1.00 0.00 H new ATOM 0 HB3 SER B 214 106.707 -10.403 -9.031 1.00 0.00 H new ATOM 0 HG SER B 214 106.729 -12.727 -8.829 1.00 0.00 H new ATOM 1476 N HIS B 215 103.676 -11.983 -6.767 1.00 0.00 N ATOM 1477 CA HIS B 215 102.456 -12.757 -6.485 1.00 0.00 C ATOM 1478 C HIS B 215 101.592 -12.096 -5.401 1.00 0.00 C ATOM 1479 O HIS B 215 100.472 -12.549 -5.138 1.00 0.00 O ATOM 1480 CB HIS B 215 102.838 -14.169 -6.028 1.00 0.00 C ATOM 1481 CG HIS B 215 101.626 -15.062 -6.065 1.00 0.00 C ATOM 1482 ND1 HIS B 215 101.107 -15.556 -7.250 1.00 0.00 N ATOM 1483 CD2 HIS B 215 100.817 -15.549 -5.068 1.00 0.00 C ATOM 1484 CE1 HIS B 215 100.033 -16.304 -6.941 1.00 0.00 C ATOM 1485 NE2 HIS B 215 99.812 -16.334 -5.624 1.00 0.00 N ATOM 0 H HIS B 215 104.521 -12.356 -6.335 1.00 0.00 H new ATOM 0 HA HIS B 215 101.872 -12.796 -7.405 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.618 -14.572 -6.674 1.00 0.00 H new ATOM 0 HB3 HIS B 215 103.246 -14.136 -5.018 1.00 0.00 H new ATOM 0 HD2 HIS B 215 100.942 -15.353 -4.013 1.00 0.00 H new ATOM 0 HE1 HIS B 215 99.423 -16.818 -7.669 1.00 0.00 H new ATOM 0 HE2 HIS B 215 99.067 -16.827 -5.132 1.00 0.00 H new ATOM 1493 N ILE B 216 102.116 -11.042 -4.771 1.00 0.00 N ATOM 1494 CA ILE B 216 101.390 -10.345 -3.713 1.00 0.00 C ATOM 1495 C ILE B 216 100.133 -9.662 -4.258 1.00 0.00 C ATOM 1496 O ILE B 216 99.112 -9.605 -3.572 1.00 0.00 O ATOM 1497 CB ILE B 216 102.319 -9.312 -3.035 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.652 -8.787 -1.754 1.00 0.00 C ATOM 1499 CG2 ILE B 216 102.622 -8.133 -3.988 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.708 -9.855 -0.655 1.00 0.00 C ATOM 0 H ILE B 216 103.037 -10.655 -4.976 1.00 0.00 H new ATOM 0 HA ILE B 216 101.071 -11.079 -2.973 1.00 0.00 H new ATOM 0 HB ILE B 216 103.261 -9.801 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.156 -7.881 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.616 -8.518 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.277 -7.420 -3.488 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.112 -8.508 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE B 216 101.690 -7.639 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.233 -9.473 0.248 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.184 -10.750 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.748 -10.103 -0.441 1.00 0.00 H new ATOM 1512 N ASN B 217 100.232 -9.124 -5.479 1.00 0.00 N ATOM 1513 CA ASN B 217 99.105 -8.422 -6.091 1.00 0.00 C ATOM 1514 C ASN B 217 97.893 -9.344 -6.197 1.00 0.00 C ATOM 1515 O ASN B 217 96.798 -8.988 -5.760 1.00 0.00 O ATOM 1516 CB ASN B 217 99.500 -7.929 -7.487 1.00 0.00 C ATOM 1517 CG ASN B 217 100.536 -6.809 -7.384 1.00 0.00 C ATOM 1518 OD1 ASN B 217 100.506 -6.014 -6.443 1.00 0.00 O ATOM 1519 ND2 ASN B 217 101.458 -6.699 -8.302 1.00 0.00 N ATOM 0 H ASN B 217 101.073 -9.162 -6.055 1.00 0.00 H new ATOM 0 HA ASN B 217 98.843 -7.570 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN B 217 99.906 -8.756 -8.070 1.00 0.00 H new ATOM 0 HB3 ASN B 217 98.617 -7.569 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN B 217 102.153 -5.955 -8.240 1.00 0.00 H new ATOM 0 HD22 ASN B 217 101.483 -7.357 -9.081 1.00 0.00 H new ATOM 1526 N LYS B 218 98.111 -10.536 -6.754 1.00 0.00 N ATOM 1527 CA LYS B 218 97.035 -11.520 -6.888 1.00 0.00 C ATOM 1528 C LYS B 218 96.576 -11.961 -5.499 1.00 0.00 C ATOM 1529 O LYS B 218 95.379 -12.100 -5.249 1.00 0.00 O ATOM 1530 CB LYS B 218 97.521 -12.736 -7.687 1.00 0.00 C ATOM 1531 CG LYS B 218 96.342 -13.676 -7.957 1.00 0.00 C ATOM 1532 CD LYS B 218 96.816 -14.865 -8.786 1.00 0.00 C ATOM 1533 CE LYS B 218 95.629 -15.784 -9.078 1.00 0.00 C ATOM 1534 NZ LYS B 218 96.091 -16.940 -9.894 1.00 0.00 N ATOM 0 H LYS B 218 99.014 -10.842 -7.117 1.00 0.00 H new ATOM 0 HA LYS B 218 96.200 -11.065 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS B 218 97.964 -12.412 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS B 218 98.299 -13.261 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS B 218 95.917 -14.023 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS B 218 95.552 -13.143 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS B 218 97.260 -14.518 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS B 218 97.590 -15.412 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS B 218 95.188 -16.136 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS B 218 94.852 -15.236 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 95.286 -17.567 -10.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 96.492 -16.595 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 96.818 -17.467 -9.369 1.00 0.00 H new ATOM 1548 N HIS B 219 97.538 -12.192 -4.603 1.00 0.00 N ATOM 1549 CA HIS B 219 97.211 -12.623 -3.252 1.00 0.00 C ATOM 1550 C HIS B 219 96.294 -11.603 -2.571 1.00 0.00 C ATOM 1551 O HIS B 219 95.344 -11.995 -1.902 1.00 0.00 O ATOM 1552 CB HIS B 219 98.486 -12.833 -2.418 1.00 0.00 C ATOM 1553 CG HIS B 219 98.095 -13.154 -0.997 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.605 -14.392 -0.614 1.00 0.00 N ATOM 1555 CD2 HIS B 219 98.040 -12.366 0.115 1.00 0.00 C ATOM 1556 CE1 HIS B 219 97.270 -14.302 0.690 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.517 -13.085 1.178 1.00 0.00 N ATOM 0 H HIS B 219 98.535 -12.088 -4.789 1.00 0.00 H new ATOM 0 HA HIS B 219 96.686 -13.576 -3.320 1.00 0.00 H new ATOM 0 HB2 HIS B 219 99.081 -13.644 -2.837 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.106 -11.937 -2.445 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.514 -15.217 -1.207 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.357 -11.335 0.160 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.854 -15.114 1.267 1.00 0.00 H new ATOM 1564 N LEU B 220 96.587 -10.316 -2.739 1.00 0.00 N ATOM 1565 CA LEU B 220 95.772 -9.270 -2.118 1.00 0.00 C ATOM 1566 C LEU B 220 94.340 -9.347 -2.633 1.00 0.00 C ATOM 1567 O LEU B 220 93.388 -9.143 -1.875 1.00 0.00 O ATOM 1568 CB LEU B 220 96.364 -7.888 -2.393 1.00 0.00 C ATOM 1569 CG LEU B 220 97.657 -7.704 -1.584 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.422 -6.493 -2.121 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.318 -7.467 -0.104 1.00 0.00 C ATOM 0 H LEU B 220 97.372 -9.973 -3.292 1.00 0.00 H new ATOM 0 HA LEU B 220 95.767 -9.429 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.571 -7.777 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.644 -7.114 -2.126 1.00 0.00 H new ATOM 0 HG LEU B 220 98.268 -8.602 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.340 -6.360 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.669 -6.654 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.803 -5.601 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.239 -7.337 0.464 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.705 -6.571 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.769 -8.325 0.285 1.00 0.00 H new ATOM 1583 N ASP B 221 94.202 -9.660 -3.922 1.00 0.00 N ATOM 1584 CA ASP B 221 92.888 -9.789 -4.544 1.00 0.00 C ATOM 1585 C ASP B 221 92.082 -10.912 -3.885 1.00 0.00 C ATOM 1586 O ASP B 221 90.861 -10.805 -3.752 1.00 0.00 O ATOM 1587 CB ASP B 221 93.053 -10.069 -6.044 1.00 0.00 C ATOM 1588 CG ASP B 221 93.218 -8.763 -6.814 1.00 0.00 C ATOM 1589 OD1 ASP B 221 92.499 -7.822 -6.517 1.00 0.00 O ATOM 1590 OD2 ASP B 221 94.064 -8.725 -7.691 1.00 0.00 O ATOM 0 H ASP B 221 94.985 -9.828 -4.554 1.00 0.00 H new ATOM 0 HA ASP B 221 92.344 -8.854 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.921 -10.707 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP B 221 92.184 -10.611 -6.417 1.00 0.00 H new ATOM 1595 N SER B 222 92.776 -11.979 -3.470 1.00 0.00 N ATOM 1596 CA SER B 222 92.127 -13.120 -2.820 1.00 0.00 C ATOM 1597 C SER B 222 91.919 -12.861 -1.323 1.00 0.00 C ATOM 1598 O SER B 222 90.830 -13.077 -0.791 1.00 0.00 O ATOM 1599 CB SER B 222 92.985 -14.372 -3.002 1.00 0.00 C ATOM 1600 OG SER B 222 94.109 -14.299 -2.132 1.00 0.00 O ATOM 0 H SER B 222 93.786 -12.074 -3.574 1.00 0.00 H new ATOM 0 HA SER B 222 91.151 -13.265 -3.284 1.00 0.00 H new ATOM 0 HB2 SER B 222 92.398 -15.264 -2.784 1.00 0.00 H new ATOM 0 HB3 SER B 222 93.316 -14.453 -4.037 1.00 0.00 H new ATOM 0 HG SER B 222 94.648 -13.512 -2.359 1.00 0.00 H new ATOM 1606 N CYS B 223 92.980 -12.398 -0.663 1.00 0.00 N ATOM 1607 CA CYS B 223 92.947 -12.104 0.771 1.00 0.00 C ATOM 1608 C CYS B 223 91.815 -11.133 1.096 1.00 0.00 C ATOM 1609 O CYS B 223 91.124 -11.289 2.106 1.00 0.00 O ATOM 1610 CB CYS B 223 94.297 -11.497 1.198 1.00 0.00 C ATOM 1611 SG CYS B 223 94.663 -11.944 2.918 1.00 0.00 S ATOM 0 H CYS B 223 93.882 -12.217 -1.103 1.00 0.00 H new ATOM 0 HA CYS B 223 92.771 -13.031 1.318 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.090 -11.858 0.543 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.266 -10.412 1.094 1.00 0.00 H new ATOM 1616 N LEU B 224 91.636 -10.140 0.228 1.00 0.00 N ATOM 1617 CA LEU B 224 90.586 -9.141 0.404 1.00 0.00 C ATOM 1618 C LEU B 224 89.204 -9.745 0.136 1.00 0.00 C ATOM 1619 O LEU B 224 88.221 -9.363 0.772 1.00 0.00 O ATOM 1620 CB LEU B 224 90.840 -7.959 -0.532 1.00 0.00 C ATOM 1621 CG LEU B 224 92.110 -7.216 -0.089 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.569 -6.278 -1.205 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.820 -6.386 1.170 1.00 0.00 C ATOM 0 H LEU B 224 92.207 -10.006 -0.607 1.00 0.00 H new ATOM 0 HA LEU B 224 90.605 -8.793 1.437 1.00 0.00 H new ATOM 0 HB2 LEU B 224 90.951 -8.311 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU B 224 89.986 -7.281 -0.519 1.00 0.00 H new ATOM 0 HG LEU B 224 92.889 -7.947 0.127 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.470 -5.751 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU B 224 92.783 -6.858 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU B 224 91.782 -5.555 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.725 -5.863 1.477 1.00 0.00 H new ATOM 0 HD22 LEU B 224 91.036 -5.660 0.954 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.492 -7.046 1.973 1.00 0.00 H new ATOM 1635 N SER B 225 89.143 -10.677 -0.819 1.00 0.00 N ATOM 1636 CA SER B 225 87.882 -11.328 -1.178 1.00 0.00 C ATOM 1637 C SER B 225 87.267 -12.026 0.028 1.00 0.00 C ATOM 1638 O SER B 225 86.053 -11.967 0.225 1.00 0.00 O ATOM 1639 CB SER B 225 88.112 -12.353 -2.286 1.00 0.00 C ATOM 1640 OG SER B 225 88.537 -11.683 -3.464 1.00 0.00 O ATOM 0 H SER B 225 89.950 -10.996 -1.355 1.00 0.00 H new ATOM 0 HA SER B 225 87.197 -10.556 -1.529 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.863 -13.079 -1.975 1.00 0.00 H new ATOM 0 HB3 SER B 225 87.194 -12.908 -2.480 1.00 0.00 H new ATOM 0 HG SER B 225 89.513 -11.731 -3.534 1.00 0.00 H new ATOM 1646 N ARG B 226 88.112 -12.671 0.835 1.00 0.00 N ATOM 1647 CA ARG B 226 87.640 -13.374 2.030 1.00 0.00 C ATOM 1648 C ARG B 226 86.952 -12.400 2.978 1.00 0.00 C ATOM 1649 O ARG B 226 85.897 -12.702 3.541 1.00 0.00 O ATOM 1650 CB ARG B 226 88.816 -14.040 2.753 1.00 0.00 C ATOM 1651 CG ARG B 226 89.297 -15.253 1.948 1.00 0.00 C ATOM 1652 CD ARG B 226 90.328 -16.037 2.767 1.00 0.00 C ATOM 1653 NE ARG B 226 91.627 -15.355 2.748 1.00 0.00 N ATOM 1654 CZ ARG B 226 92.629 -15.670 3.588 1.00 0.00 C ATOM 1655 NH1 ARG B 226 92.502 -16.616 4.489 1.00 0.00 N ATOM 1656 NH2 ARG B 226 93.756 -15.024 3.497 1.00 0.00 N ATOM 0 H ARG B 226 89.120 -12.721 0.685 1.00 0.00 H new ATOM 0 HA ARG B 226 86.928 -14.139 1.720 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.631 -13.327 2.876 1.00 0.00 H new ATOM 0 HB3 ARG B 226 88.512 -14.352 3.752 1.00 0.00 H new ATOM 0 HG2 ARG B 226 88.452 -15.895 1.698 1.00 0.00 H new ATOM 0 HG3 ARG B 226 89.738 -14.926 1.007 1.00 0.00 H new ATOM 0 HD2 ARG B 226 89.981 -16.142 3.795 1.00 0.00 H new ATOM 0 HD3 ARG B 226 90.433 -17.043 2.362 1.00 0.00 H new ATOM 0 HE ARG B 226 91.777 -14.610 2.068 1.00 0.00 H new ATOM 0 HH11 ARG B 226 91.626 -17.134 4.565 1.00 0.00 H new ATOM 0 HH12 ARG B 226 93.279 -16.834 5.113 1.00 0.00 H new ATOM 0 HH21 ARG B 226 93.869 -14.291 2.796 1.00 0.00 H new ATOM 0 HH22 ARG B 226 94.526 -15.251 4.126 1.00 0.00 H new ATOM 1670 N GLU B 227 87.563 -11.231 3.147 1.00 0.00 N ATOM 1671 CA GLU B 227 87.020 -10.202 4.029 1.00 0.00 C ATOM 1672 C GLU B 227 85.586 -9.855 3.630 1.00 0.00 C ATOM 1673 O GLU B 227 84.735 -9.627 4.494 1.00 0.00 O ATOM 1674 CB GLU B 227 87.890 -8.953 3.956 1.00 0.00 C ATOM 1675 CG GLU B 227 89.270 -9.249 4.551 1.00 0.00 C ATOM 1676 CD GLU B 227 90.201 -8.031 4.438 1.00 0.00 C ATOM 1677 OE1 GLU B 227 91.362 -8.191 4.768 1.00 0.00 O ATOM 1678 OE2 GLU B 227 89.752 -6.961 4.038 1.00 0.00 O ATOM 0 H GLU B 227 88.435 -10.972 2.685 1.00 0.00 H new ATOM 0 HA GLU B 227 87.015 -10.584 5.050 1.00 0.00 H new ATOM 0 HB2 GLU B 227 87.992 -8.629 2.920 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.416 -8.136 4.500 1.00 0.00 H new ATOM 0 HG2 GLU B 227 89.164 -9.532 5.598 1.00 0.00 H new ATOM 0 HG3 GLU B 227 89.716 -10.099 4.035 1.00 0.00 H new ATOM 1685 N GLU B 228 85.325 -9.828 2.322 1.00 0.00 N ATOM 1686 CA GLU B 228 83.985 -9.523 1.815 1.00 0.00 C ATOM 1687 C GLU B 228 83.044 -10.731 1.972 1.00 0.00 C ATOM 1688 O GLU B 228 81.820 -10.575 1.955 1.00 0.00 O ATOM 1689 CB GLU B 228 84.072 -9.129 0.338 1.00 0.00 C ATOM 1690 CG GLU B 228 82.708 -8.630 -0.165 1.00 0.00 C ATOM 1691 CD GLU B 228 82.782 -8.219 -1.640 1.00 0.00 C ATOM 1692 OE1 GLU B 228 81.890 -7.507 -2.065 1.00 0.00 O ATOM 1693 OE2 GLU B 228 83.710 -8.628 -2.331 1.00 0.00 O ATOM 0 H GLU B 228 86.019 -10.012 1.598 1.00 0.00 H new ATOM 0 HA GLU B 228 83.579 -8.695 2.396 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.822 -8.349 0.207 1.00 0.00 H new ATOM 0 HB3 GLU B 228 84.394 -9.985 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU B 228 81.961 -9.414 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU B 228 82.383 -7.781 0.437 1.00 0.00 H new ATOM 1700 N LYS B 229 83.624 -11.925 2.142 1.00 0.00 N ATOM 1701 CA LYS B 229 82.832 -13.143 2.322 1.00 0.00 C ATOM 1702 C LYS B 229 82.297 -13.240 3.747 1.00 0.00 C ATOM 1703 O LYS B 229 81.126 -13.567 3.957 1.00 0.00 O ATOM 1704 CB LYS B 229 83.677 -14.377 1.994 1.00 0.00 C ATOM 1705 CG LYS B 229 83.920 -14.441 0.484 1.00 0.00 C ATOM 1706 CD LYS B 229 84.769 -15.667 0.156 1.00 0.00 C ATOM 1707 CE LYS B 229 85.008 -15.728 -1.352 1.00 0.00 C ATOM 1708 NZ LYS B 229 85.848 -16.916 -1.674 1.00 0.00 N ATOM 0 H LYS B 229 84.633 -12.071 2.158 1.00 0.00 H new ATOM 0 HA LYS B 229 81.983 -13.100 1.639 1.00 0.00 H new ATOM 0 HB2 LYS B 229 84.628 -14.332 2.525 1.00 0.00 H new ATOM 0 HB3 LYS B 229 83.167 -15.280 2.330 1.00 0.00 H new ATOM 0 HG2 LYS B 229 82.969 -14.492 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS B 229 84.425 -13.535 0.147 1.00 0.00 H new ATOM 0 HD2 LYS B 229 85.721 -15.616 0.685 1.00 0.00 H new ATOM 0 HD3 LYS B 229 84.265 -16.573 0.493 1.00 0.00 H new ATOM 0 HE2 LYS B 229 84.056 -15.788 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS B 229 85.502 -14.817 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 86.011 -16.958 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 86.761 -16.840 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 85.359 -17.781 -1.365 1.00 0.00 H new ATOM 1722 N LYS B 230 83.167 -12.956 4.719 1.00 0.00 N ATOM 1723 CA LYS B 230 82.788 -13.015 6.131 1.00 0.00 C ATOM 1724 C LYS B 230 81.706 -11.987 6.458 1.00 0.00 C ATOM 1725 O LYS B 230 80.788 -12.275 7.228 1.00 0.00 O ATOM 1726 CB LYS B 230 84.014 -12.776 7.020 1.00 0.00 C ATOM 1727 CG LYS B 230 84.964 -13.972 6.916 1.00 0.00 C ATOM 1728 CD LYS B 230 86.192 -13.726 7.794 1.00 0.00 C ATOM 1729 CE LYS B 230 87.136 -14.925 7.699 1.00 0.00 C ATOM 1730 NZ LYS B 230 88.337 -14.680 8.546 1.00 0.00 N ATOM 0 H LYS B 230 84.136 -12.684 4.554 1.00 0.00 H new ATOM 0 HA LYS B 230 82.387 -14.009 6.327 1.00 0.00 H new ATOM 0 HB2 LYS B 230 84.526 -11.864 6.713 1.00 0.00 H new ATOM 0 HB3 LYS B 230 83.703 -12.634 8.055 1.00 0.00 H new ATOM 0 HG2 LYS B 230 84.455 -14.883 7.231 1.00 0.00 H new ATOM 0 HG3 LYS B 230 85.268 -14.119 5.880 1.00 0.00 H new ATOM 0 HD2 LYS B 230 86.705 -12.819 7.474 1.00 0.00 H new ATOM 0 HD3 LYS B 230 85.887 -13.571 8.829 1.00 0.00 H new ATOM 0 HE2 LYS B 230 86.625 -15.830 8.027 1.00 0.00 H new ATOM 0 HE3 LYS B 230 87.435 -15.085 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 88.979 -15.495 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 88.828 -13.825 8.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 88.043 -14.548 9.535 1.00 0.00 H new ATOM 1744 N GLU B 231 81.825 -10.794 5.869 1.00 0.00 N ATOM 1745 CA GLU B 231 80.863 -9.721 6.095 1.00 0.00 C ATOM 1746 C GLU B 231 79.528 -10.042 5.425 1.00 0.00 C ATOM 1747 O GLU B 231 79.480 -10.764 4.425 1.00 0.00 O ATOM 1748 CB GLU B 231 81.413 -8.405 5.535 1.00 0.00 C ATOM 1749 CG GLU B 231 82.661 -7.988 6.330 1.00 0.00 C ATOM 1750 CD GLU B 231 82.302 -7.639 7.785 1.00 0.00 C ATOM 1751 OE1 GLU B 231 81.147 -7.322 8.050 1.00 0.00 O ATOM 1752 OE2 GLU B 231 83.192 -7.696 8.615 1.00 0.00 O ATOM 0 H GLU B 231 82.582 -10.550 5.231 1.00 0.00 H new ATOM 0 HA GLU B 231 80.701 -9.624 7.169 1.00 0.00 H new ATOM 0 HB2 GLU B 231 81.664 -8.523 4.481 1.00 0.00 H new ATOM 0 HB3 GLU B 231 80.653 -7.626 5.597 1.00 0.00 H new ATOM 0 HG2 GLU B 231 83.391 -8.797 6.317 1.00 0.00 H new ATOM 0 HG3 GLU B 231 83.130 -7.128 5.852 1.00 0.00 H new ATOM 1759 N SER B 232 78.454 -9.511 5.999 1.00 0.00 N ATOM 1760 CA SER B 232 77.109 -9.732 5.487 1.00 0.00 C ATOM 1761 C SER B 232 77.006 -9.255 4.045 1.00 0.00 C ATOM 1762 O SER B 232 77.674 -8.300 3.644 1.00 0.00 O ATOM 1763 CB SER B 232 76.085 -8.985 6.348 1.00 0.00 C ATOM 1764 OG SER B 232 75.848 -9.722 7.541 1.00 0.00 O ATOM 0 H SER B 232 78.492 -8.918 6.828 1.00 0.00 H new ATOM 0 HA SER B 232 76.898 -10.801 5.525 1.00 0.00 H new ATOM 0 HB2 SER B 232 76.454 -7.988 6.590 1.00 0.00 H new ATOM 0 HB3 SER B 232 75.154 -8.855 5.796 1.00 0.00 H new ATOM 0 HG SER B 232 75.195 -9.246 8.095 1.00 0.00 H new ATOM 1770 N LEU B 233 76.166 -9.936 3.278 1.00 0.00 N ATOM 1771 CA LEU B 233 75.959 -9.599 1.867 1.00 0.00 C ATOM 1772 C LEU B 233 74.744 -8.692 1.721 1.00 0.00 C ATOM 1773 O LEU B 233 73.670 -8.996 2.246 1.00 0.00 O ATOM 1774 CB LEU B 233 75.752 -10.875 1.038 1.00 0.00 C ATOM 1775 CG LEU B 233 77.038 -11.712 1.031 1.00 0.00 C ATOM 1776 CD1 LEU B 233 76.730 -13.115 0.499 1.00 0.00 C ATOM 1777 CD2 LEU B 233 78.092 -11.051 0.129 1.00 0.00 C ATOM 0 H LEU B 233 75.613 -10.728 3.606 1.00 0.00 H new ATOM 0 HA LEU B 233 76.844 -9.078 1.501 1.00 0.00 H new ATOM 0 HB2 LEU B 233 74.931 -11.459 1.453 1.00 0.00 H new ATOM 0 HB3 LEU B 233 75.473 -10.614 0.017 1.00 0.00 H new ATOM 0 HG LEU B 233 77.424 -11.777 2.048 1.00 0.00 H new ATOM 0 HD11 LEU B 233 77.643 -13.711 0.494 1.00 0.00 H new ATOM 0 HD12 LEU B 233 75.989 -13.593 1.140 1.00 0.00 H new ATOM 0 HD13 LEU B 233 76.339 -13.042 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU B 233 79.001 -11.652 0.131 1.00 0.00 H new ATOM 0 HD22 LEU B 233 77.707 -10.979 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU B 233 78.317 -10.052 0.504 1.00 0.00 H new ATOM 1789 N ARG B 234 74.926 -7.575 1.014 1.00 0.00 N ATOM 1790 CA ARG B 234 73.842 -6.618 0.810 1.00 0.00 C ATOM 1791 C ARG B 234 73.728 -6.241 -0.660 1.00 0.00 C ATOM 1792 O ARG B 234 74.738 -6.098 -1.354 1.00 0.00 O ATOM 1793 CB ARG B 234 74.098 -5.361 1.645 1.00 0.00 C ATOM 1794 CG ARG B 234 73.955 -5.696 3.131 1.00 0.00 C ATOM 1795 CD ARG B 234 74.281 -4.457 3.969 1.00 0.00 C ATOM 1796 NE ARG B 234 74.112 -4.752 5.399 1.00 0.00 N ATOM 1797 CZ ARG B 234 75.091 -5.281 6.159 1.00 0.00 C ATOM 1798 NH1 ARG B 234 76.272 -5.569 5.659 1.00 0.00 N ATOM 1799 NH2 ARG B 234 74.861 -5.512 7.422 1.00 0.00 N ATOM 0 H ARG B 234 75.809 -7.314 0.576 1.00 0.00 H new ATOM 0 HA ARG B 234 72.907 -7.081 1.124 1.00 0.00 H new ATOM 0 HB2 ARG B 234 75.097 -4.975 1.443 1.00 0.00 H new ATOM 0 HB3 ARG B 234 73.392 -4.578 1.368 1.00 0.00 H new ATOM 0 HG2 ARG B 234 72.940 -6.034 3.342 1.00 0.00 H new ATOM 0 HG3 ARG B 234 74.625 -6.514 3.396 1.00 0.00 H new ATOM 0 HD2 ARG B 234 75.305 -4.137 3.775 1.00 0.00 H new ATOM 0 HD3 ARG B 234 73.629 -3.632 3.681 1.00 0.00 H new ATOM 0 HE ARG B 234 73.213 -4.547 5.836 1.00 0.00 H new ATOM 0 HH11 ARG B 234 76.465 -5.393 4.673 1.00 0.00 H new ATOM 0 HH12 ARG B 234 76.995 -5.969 6.257 1.00 0.00 H new ATOM 0 HH21 ARG B 234 73.949 -5.293 7.823 1.00 0.00 H new ATOM 0 HH22 ARG B 234 75.593 -5.912 8.009 1.00 0.00 H new ATOM 1813 N SER B 235 72.489 -6.079 -1.119 1.00 0.00 N ATOM 1814 CA SER B 235 72.225 -5.711 -2.505 1.00 0.00 C ATOM 1815 C SER B 235 71.237 -4.554 -2.564 1.00 0.00 C ATOM 1816 O SER B 235 70.143 -4.633 -2.000 1.00 0.00 O ATOM 1817 CB SER B 235 71.656 -6.909 -3.265 1.00 0.00 C ATOM 1818 OG SER B 235 72.601 -7.971 -3.243 1.00 0.00 O ATOM 0 H SER B 235 71.652 -6.197 -0.549 1.00 0.00 H new ATOM 0 HA SER B 235 73.163 -5.403 -2.968 1.00 0.00 H new ATOM 0 HB2 SER B 235 70.719 -7.231 -2.810 1.00 0.00 H new ATOM 0 HB3 SER B 235 71.431 -6.628 -4.294 1.00 0.00 H new ATOM 0 HG SER B 235 72.239 -8.742 -3.728 1.00 0.00 H new ATOM 1824 N SER B 236 71.633 -3.485 -3.254 1.00 0.00 N ATOM 1825 CA SER B 236 70.779 -2.310 -3.393 1.00 0.00 C ATOM 1826 C SER B 236 69.497 -2.675 -4.133 1.00 0.00 C ATOM 1827 O SER B 236 68.405 -2.244 -3.755 1.00 0.00 O ATOM 1828 CB SER B 236 71.518 -1.210 -4.156 1.00 0.00 C ATOM 1829 OG SER B 236 70.595 -0.197 -4.534 1.00 0.00 O ATOM 0 H SER B 236 72.536 -3.410 -3.723 1.00 0.00 H new ATOM 0 HA SER B 236 70.524 -1.946 -2.398 1.00 0.00 H new ATOM 0 HB2 SER B 236 72.306 -0.786 -3.533 1.00 0.00 H new ATOM 0 HB3 SER B 236 72.000 -1.626 -5.040 1.00 0.00 H new ATOM 0 HG SER B 236 71.067 0.510 -5.022 1.00 0.00 H new ATOM 1835 N VAL B 237 69.647 -3.473 -5.193 1.00 0.00 N ATOM 1836 CA VAL B 237 68.508 -3.903 -6.004 1.00 0.00 C ATOM 1837 C VAL B 237 68.324 -5.416 -5.878 1.00 0.00 C ATOM 1838 O VAL B 237 69.297 -6.175 -5.912 1.00 0.00 O ATOM 1839 CB VAL B 237 68.723 -3.521 -7.486 1.00 0.00 C ATOM 1840 CG1 VAL B 237 67.496 -3.927 -8.322 1.00 0.00 C ATOM 1841 CG2 VAL B 237 68.939 -2.006 -7.610 1.00 0.00 C ATOM 0 H VAL B 237 70.547 -3.834 -5.509 1.00 0.00 H new ATOM 0 HA VAL B 237 67.612 -3.399 -5.642 1.00 0.00 H new ATOM 0 HB VAL B 237 69.603 -4.047 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL B 237 67.659 -3.653 -9.364 1.00 0.00 H new ATOM 0 HG12 VAL B 237 67.346 -5.004 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL B 237 66.612 -3.412 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL B 237 69.090 -1.745 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL B 237 68.064 -1.481 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL B 237 69.817 -1.715 -7.033 1.00 0.00 H new ATOM 1851 N HIS B 238 67.068 -5.836 -5.728 1.00 0.00 N ATOM 1852 CA HIS B 238 66.743 -7.254 -5.598 1.00 0.00 C ATOM 1853 C HIS B 238 67.157 -8.018 -6.854 1.00 0.00 C ATOM 1854 O HIS B 238 67.669 -9.137 -6.764 1.00 0.00 O ATOM 1855 CB HIS B 238 65.237 -7.426 -5.365 1.00 0.00 C ATOM 1856 CG HIS B 238 64.885 -6.998 -3.964 1.00 0.00 C ATOM 1857 ND1 HIS B 238 64.517 -5.697 -3.657 1.00 0.00 N ATOM 1858 CD2 HIS B 238 64.840 -7.689 -2.779 1.00 0.00 C ATOM 1859 CE1 HIS B 238 64.268 -5.647 -2.335 1.00 0.00 C ATOM 1860 NE2 HIS B 238 64.450 -6.835 -1.752 1.00 0.00 N ATOM 0 H HIS B 238 66.260 -5.214 -5.694 1.00 0.00 H new ATOM 0 HA HIS B 238 67.291 -7.656 -4.746 1.00 0.00 H new ATOM 0 HB2 HIS B 238 64.678 -6.832 -6.088 1.00 0.00 H new ATOM 0 HB3 HIS B 238 64.952 -8.467 -5.519 1.00 0.00 H new ATOM 0 HD2 HIS B 238 65.072 -8.737 -2.661 1.00 0.00 H new ATOM 0 HE1 HIS B 238 63.959 -4.755 -1.810 1.00 0.00 H new ATOM 0 HE2 HIS B 238 64.329 -7.066 -0.766 1.00 0.00 H new ATOM 1868 N LYS B 239 66.932 -7.406 -8.019 1.00 0.00 N ATOM 1869 CA LYS B 239 67.281 -8.031 -9.296 1.00 0.00 C ATOM 1870 C LYS B 239 68.774 -8.339 -9.349 1.00 0.00 C ATOM 1871 O LYS B 239 69.175 -9.422 -9.783 1.00 0.00 O ATOM 1872 CB LYS B 239 66.918 -7.089 -10.449 1.00 0.00 C ATOM 1873 CG LYS B 239 65.397 -6.976 -10.561 1.00 0.00 C ATOM 1874 CD LYS B 239 65.037 -5.977 -11.663 1.00 0.00 C ATOM 1875 CE LYS B 239 63.515 -5.854 -11.761 1.00 0.00 C ATOM 1876 NZ LYS B 239 63.163 -4.858 -12.812 1.00 0.00 N ATOM 0 H LYS B 239 66.511 -6.481 -8.104 1.00 0.00 H new ATOM 0 HA LYS B 239 66.723 -8.962 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS B 239 67.354 -6.105 -10.279 1.00 0.00 H new ATOM 0 HB3 LYS B 239 67.334 -7.465 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS B 239 64.965 -7.951 -10.785 1.00 0.00 H new ATOM 0 HG3 LYS B 239 64.975 -6.651 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS B 239 65.478 -5.004 -11.445 1.00 0.00 H new ATOM 0 HD3 LYS B 239 65.448 -6.307 -12.617 1.00 0.00 H new ATOM 0 HE2 LYS B 239 63.076 -6.822 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS B 239 63.102 -5.546 -10.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 62.129 -4.774 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 63.570 -3.933 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 63.545 -5.170 -13.728 1.00 0.00 H new ATOM 1890 N ARG B 240 69.585 -7.381 -8.904 1.00 0.00 N ATOM 1891 CA ARG B 240 71.040 -7.545 -8.901 1.00 0.00 C ATOM 1892 C ARG B 240 71.670 -6.762 -7.747 1.00 0.00 C ATOM 1893 O ARG B 240 72.600 -7.273 -7.147 1.00 0.00 O ATOM 1894 CB ARG B 240 71.621 -7.074 -10.245 1.00 0.00 C ATOM 1895 CG ARG B 240 71.300 -5.591 -10.475 1.00 0.00 C ATOM 1896 CD ARG B 240 71.852 -5.154 -11.828 1.00 0.00 C ATOM 1897 NE ARG B 240 71.513 -3.750 -12.085 1.00 0.00 N ATOM 1898 CZ ARG B 240 71.925 -3.094 -13.186 1.00 0.00 C ATOM 1899 NH1 ARG B 240 72.666 -3.680 -14.099 1.00 0.00 N ATOM 1900 NH2 ARG B 240 71.576 -1.848 -13.352 1.00 0.00 N ATOM 1901 OXT ARG B 240 71.207 -5.664 -7.482 1.00 0.00 O ATOM 0 H ARG B 240 69.261 -6.484 -8.541 1.00 0.00 H new ATOM 0 HA ARG B 240 71.272 -8.601 -8.763 1.00 0.00 H new ATOM 0 HB2 ARG B 240 72.700 -7.225 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG B 240 71.208 -7.672 -11.057 1.00 0.00 H new ATOM 0 HG2 ARG B 240 70.222 -5.432 -10.442 1.00 0.00 H new ATOM 0 HG3 ARG B 240 71.736 -4.986 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG B 240 72.934 -5.283 -11.846 1.00 0.00 H new ATOM 0 HD3 ARG B 240 71.442 -5.785 -12.617 1.00 0.00 H new ATOM 0 HE ARG B 240 70.942 -3.251 -11.402 1.00 0.00 H new ATOM 0 HH11 ARG B 240 72.943 -4.655 -13.983 1.00 0.00 H new ATOM 0 HH12 ARG B 240 72.965 -3.160 -14.924 1.00 0.00 H new ATOM 0 HH21 ARG B 240 70.998 -1.383 -12.652 1.00 0.00 H new ATOM 0 HH22 ARG B 240 71.881 -1.339 -14.182 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.957 -12.344 2.931 1.00 0.00 ZN