USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 110:sc= -0.86 USER MOD Single : A 12 ASN : amide:sc= 0.507 K(o=0.51,f=-0.097) USER MOD Single : A 16 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0478) USER MOD Single : A 19 THR OG1 : rot -169:sc= -0.226 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 64:sc= -0.104 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 0.987 (180deg=0.572) USER MOD Single : A 33 THR OG1 : rot -89:sc= -2.39! USER MOD Single : A 46 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.78) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -5.13! K(o=-5.1!,f=-2.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.0083 (180deg=-0.156) USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= -0.132 (180deg=-0.755) USER MOD Single : A 65 SER OG : rot -107:sc= 1.36 USER MOD Single : A 72 THR OG1 : rot -129:sc= -1.51 USER MOD Single : A 76 GLN : amide:sc= -0.947 K(o=-0.95,f=0) USER MOD Single : A 80 SER OG : rot 99:sc= 1.12 USER MOD Single : A 81 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 101.130 113.802 -41.427 1.00 0.00 N ATOM 54 CA VAL A 4 102.350 113.517 -40.688 1.00 0.00 C ATOM 55 C VAL A 4 103.264 114.752 -40.565 1.00 0.00 C ATOM 56 O VAL A 4 103.879 114.979 -39.534 1.00 0.00 O ATOM 57 CB VAL A 4 103.109 112.380 -41.361 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.259 111.109 -41.446 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.627 112.814 -42.729 1.00 0.00 C ATOM 0 HA VAL A 4 102.057 113.226 -39.679 1.00 0.00 H new ATOM 0 HB VAL A 4 103.973 112.137 -40.743 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.833 110.320 -41.932 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.980 110.790 -40.442 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.358 111.312 -42.025 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.166 111.988 -43.193 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.787 113.100 -43.362 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.299 113.664 -42.611 1.00 0.00 H new ATOM 69 N THR A 5 103.327 115.537 -41.654 1.00 0.00 N ATOM 70 CA THR A 5 104.129 116.748 -41.594 1.00 0.00 C ATOM 71 C THR A 5 103.656 117.693 -40.463 1.00 0.00 C ATOM 72 O THR A 5 104.464 118.318 -39.787 1.00 0.00 O ATOM 73 CB THR A 5 103.970 117.474 -42.938 1.00 0.00 C ATOM 74 OG1 THR A 5 104.295 116.648 -44.038 1.00 0.00 O ATOM 75 CG2 THR A 5 104.696 118.825 -42.959 1.00 0.00 C ATOM 0 H THR A 5 102.854 115.360 -42.540 1.00 0.00 H new ATOM 0 HA THR A 5 105.166 116.478 -41.394 1.00 0.00 H new ATOM 0 HB THR A 5 102.910 117.706 -43.047 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.178 117.151 -44.871 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.554 119.299 -43.930 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.290 119.468 -42.178 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.760 118.669 -42.784 1.00 0.00 H new ATOM 83 N TYR A 6 102.320 117.761 -40.301 1.00 0.00 N ATOM 84 CA TYR A 6 101.766 118.458 -39.147 1.00 0.00 C ATOM 85 C TYR A 6 102.182 117.805 -37.814 1.00 0.00 C ATOM 86 O TYR A 6 102.409 118.504 -36.838 1.00 0.00 O ATOM 87 CB TYR A 6 100.235 118.553 -39.229 1.00 0.00 C ATOM 88 CG TYR A 6 99.767 119.413 -40.378 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.274 120.729 -40.536 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.846 118.914 -41.336 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.929 121.505 -41.668 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.490 119.690 -42.468 1.00 0.00 C ATOM 93 CZ TYR A 6 99.070 120.966 -42.658 1.00 0.00 C ATOM 94 OH TYR A 6 98.829 121.661 -43.825 1.00 0.00 O ATOM 0 H TYR A 6 101.633 117.354 -40.936 1.00 0.00 H new ATOM 0 HA TYR A 6 102.182 119.465 -39.171 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.818 117.552 -39.336 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.849 118.961 -38.294 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.930 121.143 -39.784 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.412 117.934 -41.201 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.320 122.506 -41.777 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.777 119.308 -43.184 1.00 0.00 H new ATOM 0 HH TYR A 6 98.218 121.146 -44.393 1.00 0.00 H new ATOM 104 N ILE A 7 102.245 116.454 -37.797 1.00 0.00 N ATOM 105 CA ILE A 7 102.742 115.799 -36.591 1.00 0.00 C ATOM 106 C ILE A 7 104.179 116.231 -36.256 1.00 0.00 C ATOM 107 O ILE A 7 104.497 116.578 -35.127 1.00 0.00 O ATOM 108 CB ILE A 7 102.696 114.281 -36.765 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.282 113.797 -37.066 1.00 0.00 C ATOM 110 CG2 ILE A 7 103.253 113.562 -35.533 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.399 113.884 -35.826 1.00 0.00 C ATOM 0 H ILE A 7 101.973 115.836 -38.562 1.00 0.00 H new ATOM 0 HA ILE A 7 102.097 116.100 -35.765 1.00 0.00 H new ATOM 0 HB ILE A 7 103.328 114.037 -37.619 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.851 114.398 -37.867 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.314 112.767 -37.422 1.00 0.00 H new ATOM 0 HG21 ILE A 7 103.206 112.484 -35.689 1.00 0.00 H new ATOM 0 HG22 ILE A 7 104.289 113.861 -35.375 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.661 113.828 -34.658 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.396 113.533 -36.068 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.820 113.263 -35.035 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.349 114.919 -35.487 1.00 0.00 H new ATOM 123 N ILE A 8 105.020 116.179 -37.304 1.00 0.00 N ATOM 124 CA ILE A 8 106.391 116.643 -37.168 1.00 0.00 C ATOM 125 C ILE A 8 106.448 118.100 -36.669 1.00 0.00 C ATOM 126 O ILE A 8 107.260 118.442 -35.821 1.00 0.00 O ATOM 127 CB ILE A 8 107.090 116.539 -38.529 1.00 0.00 C ATOM 128 CG1 ILE A 8 107.055 115.110 -39.076 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.529 117.047 -38.441 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.474 115.051 -40.545 1.00 0.00 C ATOM 0 H ILE A 8 104.773 115.827 -38.229 1.00 0.00 H new ATOM 0 HA ILE A 8 106.895 116.017 -36.432 1.00 0.00 H new ATOM 0 HB ILE A 8 106.541 117.172 -39.226 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.717 114.478 -38.484 1.00 0.00 H new ATOM 0 HG13 ILE A 8 106.049 114.705 -38.969 1.00 0.00 H new ATOM 0 HG21 ILE A 8 109.005 116.963 -39.418 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.528 118.090 -38.126 1.00 0.00 H new ATOM 0 HG23 ILE A 8 109.082 116.450 -37.716 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.435 114.019 -40.893 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.796 115.661 -41.142 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.490 115.431 -40.649 1.00 0.00 H new ATOM 142 N LYS A 9 105.549 118.930 -37.237 1.00 0.00 N ATOM 143 CA LYS A 9 105.427 120.288 -36.739 1.00 0.00 C ATOM 144 C LYS A 9 105.029 120.316 -35.249 1.00 0.00 C ATOM 145 O LYS A 9 105.660 120.973 -34.430 1.00 0.00 O ATOM 146 CB LYS A 9 104.325 120.973 -37.544 1.00 0.00 C ATOM 147 CG LYS A 9 104.397 122.496 -37.450 1.00 0.00 C ATOM 148 CD LYS A 9 104.704 123.140 -38.802 1.00 0.00 C ATOM 149 CE LYS A 9 105.996 122.602 -39.421 1.00 0.00 C ATOM 150 NZ LYS A 9 105.928 122.526 -40.874 1.00 0.00 N ATOM 0 H LYS A 9 104.927 118.686 -38.008 1.00 0.00 H new ATOM 0 HA LYS A 9 106.388 120.791 -36.842 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.401 120.672 -38.589 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.353 120.635 -37.185 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.450 122.881 -37.072 1.00 0.00 H new ATOM 0 HG3 LYS A 9 105.166 122.779 -36.731 1.00 0.00 H new ATOM 0 HD2 LYS A 9 103.874 122.959 -39.485 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.785 124.220 -38.678 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.828 123.244 -39.132 1.00 0.00 H new ATOM 0 HE3 LYS A 9 106.203 121.611 -39.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 106.827 122.156 -41.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 105.152 121.893 -41.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 105.757 123.475 -41.264 1.00 0.00 H new ATOM 164 N ALA A 10 103.947 119.564 -34.962 1.00 0.00 N ATOM 165 CA ALA A 10 103.256 119.736 -33.694 1.00 0.00 C ATOM 166 C ALA A 10 104.109 119.237 -32.519 1.00 0.00 C ATOM 167 O ALA A 10 104.242 119.900 -31.497 1.00 0.00 O ATOM 168 CB ALA A 10 101.923 118.983 -33.724 1.00 0.00 C ATOM 0 H ALA A 10 103.551 118.855 -35.579 1.00 0.00 H new ATOM 0 HA ALA A 10 103.074 120.801 -33.550 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.409 119.115 -32.772 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.302 119.375 -34.529 1.00 0.00 H new ATOM 0 HB3 ALA A 10 102.108 117.922 -33.892 1.00 0.00 H new ATOM 174 N SER A 11 104.677 118.029 -32.731 1.00 0.00 N ATOM 175 CA SER A 11 105.560 117.438 -31.747 1.00 0.00 C ATOM 176 C SER A 11 106.624 118.434 -31.256 1.00 0.00 C ATOM 177 O SER A 11 106.759 118.701 -30.069 1.00 0.00 O ATOM 178 CB SER A 11 106.222 116.196 -32.369 1.00 0.00 C ATOM 179 OG SER A 11 107.279 115.624 -31.609 1.00 0.00 O ATOM 0 H SER A 11 104.532 117.464 -33.568 1.00 0.00 H new ATOM 0 HA SER A 11 104.974 117.154 -30.873 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.456 115.436 -32.524 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.608 116.465 -33.352 1.00 0.00 H new ATOM 0 HG SER A 11 106.990 114.762 -31.244 1.00 0.00 H new ATOM 185 N ASN A 12 107.354 118.961 -32.256 1.00 0.00 N ATOM 186 CA ASN A 12 108.491 119.826 -31.942 1.00 0.00 C ATOM 187 C ASN A 12 109.268 120.315 -33.185 1.00 0.00 C ATOM 188 O ASN A 12 109.905 121.361 -33.152 1.00 0.00 O ATOM 189 CB ASN A 12 109.465 119.154 -30.963 1.00 0.00 C ATOM 190 CG ASN A 12 109.996 120.185 -29.963 1.00 0.00 C ATOM 191 OD1 ASN A 12 109.843 120.052 -28.755 1.00 0.00 O ATOM 192 ND2 ASN A 12 110.625 121.216 -30.553 1.00 0.00 N ATOM 0 H ASN A 12 107.182 118.808 -33.250 1.00 0.00 H new ATOM 0 HA ASN A 12 108.048 120.704 -31.472 1.00 0.00 H new ATOM 0 HB2 ASN A 12 108.961 118.346 -30.432 1.00 0.00 H new ATOM 0 HB3 ASN A 12 110.294 118.706 -31.511 1.00 0.00 H new ATOM 0 HD21 ASN A 12 111.019 121.966 -29.985 1.00 0.00 H new ATOM 0 HD22 ASN A 12 110.708 121.249 -31.569 1.00 0.00 H new ATOM 199 N ASP A 13 109.187 119.521 -34.266 1.00 0.00 N ATOM 200 CA ASP A 13 110.395 118.958 -34.843 1.00 0.00 C ATOM 201 C ASP A 13 111.062 118.012 -33.840 1.00 0.00 C ATOM 202 O ASP A 13 112.155 118.261 -33.348 1.00 0.00 O ATOM 203 CB ASP A 13 111.357 120.083 -35.230 1.00 0.00 C ATOM 204 CG ASP A 13 112.266 119.623 -36.371 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.795 118.515 -36.289 1.00 0.00 O ATOM 206 OD2 ASP A 13 112.435 120.377 -37.327 1.00 0.00 O ATOM 0 H ASP A 13 108.320 119.266 -34.739 1.00 0.00 H new ATOM 0 HA ASP A 13 110.135 118.392 -35.738 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.794 120.965 -35.535 1.00 0.00 H new ATOM 0 HB3 ASP A 13 111.959 120.371 -34.368 1.00 0.00 H new ATOM 211 N VAL A 14 110.330 116.910 -33.579 1.00 0.00 N ATOM 212 CA VAL A 14 110.991 115.627 -33.384 1.00 0.00 C ATOM 213 C VAL A 14 110.897 114.798 -34.670 1.00 0.00 C ATOM 214 O VAL A 14 111.897 114.496 -35.311 1.00 0.00 O ATOM 215 CB VAL A 14 110.324 114.889 -32.221 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.848 113.460 -32.077 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.505 115.659 -30.915 1.00 0.00 C ATOM 0 H VAL A 14 109.313 116.891 -33.502 1.00 0.00 H new ATOM 0 HA VAL A 14 112.044 115.784 -33.148 1.00 0.00 H new ATOM 0 HB VAL A 14 109.259 114.827 -32.446 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.349 112.972 -31.240 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.647 112.905 -32.993 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.922 113.483 -31.895 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.023 115.116 -30.102 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.568 115.765 -30.700 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.053 116.647 -31.009 1.00 0.00 H new ATOM 227 N LEU A 15 109.636 114.455 -35.005 1.00 0.00 N ATOM 228 CA LEU A 15 109.434 113.292 -35.854 1.00 0.00 C ATOM 229 C LEU A 15 110.123 113.511 -37.210 1.00 0.00 C ATOM 230 O LEU A 15 110.670 114.571 -37.491 1.00 0.00 O ATOM 231 CB LEU A 15 107.936 113.040 -36.085 1.00 0.00 C ATOM 232 CG LEU A 15 107.152 112.540 -34.866 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.621 111.168 -34.371 1.00 0.00 C ATOM 234 CD2 LEU A 15 107.147 113.554 -33.725 1.00 0.00 C ATOM 0 H LEU A 15 108.791 114.945 -34.713 1.00 0.00 H new ATOM 0 HA LEU A 15 109.866 112.425 -35.354 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.480 113.967 -36.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.828 112.311 -36.888 1.00 0.00 H new ATOM 0 HG LEU A 15 106.126 112.420 -35.213 1.00 0.00 H new ATOM 0 HD11 LEU A 15 107.027 110.870 -33.507 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.498 110.433 -35.166 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.672 111.223 -34.087 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.579 113.154 -32.885 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.171 113.752 -33.409 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.687 114.482 -34.065 1.00 0.00 H new ATOM 246 N ASN A 16 110.058 112.438 -38.023 1.00 0.00 N ATOM 247 CA ASN A 16 110.028 112.622 -39.467 1.00 0.00 C ATOM 248 C ASN A 16 108.600 112.352 -39.971 1.00 0.00 C ATOM 249 O ASN A 16 107.651 112.299 -39.199 1.00 0.00 O ATOM 250 CB ASN A 16 111.049 111.679 -40.118 1.00 0.00 C ATOM 251 CG ASN A 16 112.467 112.055 -39.680 1.00 0.00 C ATOM 252 OD1 ASN A 16 113.186 112.774 -40.362 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.811 111.517 -38.496 1.00 0.00 N ATOM 0 H ASN A 16 110.027 111.469 -37.707 1.00 0.00 H new ATOM 0 HA ASN A 16 110.298 113.644 -39.734 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.834 110.648 -39.836 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.968 111.736 -41.203 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.734 111.699 -38.102 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.149 110.927 -37.992 1.00 0.00 H new ATOM 260 N GLU A 17 108.506 112.181 -41.305 1.00 0.00 N ATOM 261 CA GLU A 17 107.342 111.508 -41.865 1.00 0.00 C ATOM 262 C GLU A 17 107.084 110.150 -41.184 1.00 0.00 C ATOM 263 O GLU A 17 105.996 109.878 -40.691 1.00 0.00 O ATOM 264 CB GLU A 17 107.547 111.302 -43.366 1.00 0.00 C ATOM 265 CG GLU A 17 107.245 112.575 -44.163 1.00 0.00 C ATOM 266 CD GLU A 17 108.536 113.334 -44.486 1.00 0.00 C ATOM 267 OE1 GLU A 17 109.478 113.253 -43.699 1.00 0.00 O ATOM 268 OE2 GLU A 17 108.583 113.996 -45.522 1.00 0.00 O ATOM 0 H GLU A 17 109.201 112.491 -41.985 1.00 0.00 H new ATOM 0 HA GLU A 17 106.471 112.138 -41.688 1.00 0.00 H new ATOM 0 HB2 GLU A 17 108.575 110.992 -43.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.902 110.495 -43.713 1.00 0.00 H new ATOM 0 HG2 GLU A 17 106.729 112.317 -45.088 1.00 0.00 H new ATOM 0 HG3 GLU A 17 106.574 113.216 -43.592 1.00 0.00 H new ATOM 275 N LYS A 18 108.149 109.327 -41.196 1.00 0.00 N ATOM 276 CA LYS A 18 107.947 107.916 -40.905 1.00 0.00 C ATOM 277 C LYS A 18 107.449 107.696 -39.467 1.00 0.00 C ATOM 278 O LYS A 18 106.473 106.998 -39.231 1.00 0.00 O ATOM 279 CB LYS A 18 109.266 107.174 -41.104 1.00 0.00 C ATOM 280 CG LYS A 18 109.752 107.251 -42.548 1.00 0.00 C ATOM 281 CD LYS A 18 110.867 106.242 -42.815 1.00 0.00 C ATOM 282 CE LYS A 18 111.789 106.691 -43.949 1.00 0.00 C ATOM 283 NZ LYS A 18 111.440 106.079 -45.226 1.00 0.00 N ATOM 0 H LYS A 18 109.110 109.606 -41.395 1.00 0.00 H new ATOM 0 HA LYS A 18 107.185 107.534 -41.584 1.00 0.00 H new ATOM 0 HB2 LYS A 18 110.023 107.597 -40.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 109.141 106.129 -40.819 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.919 107.062 -43.225 1.00 0.00 H new ATOM 0 HG3 LYS A 18 110.112 108.258 -42.759 1.00 0.00 H new ATOM 0 HD2 LYS A 18 111.453 106.101 -41.907 1.00 0.00 H new ATOM 0 HD3 LYS A 18 110.429 105.276 -43.065 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.741 107.776 -44.044 1.00 0.00 H new ATOM 0 HE3 LYS A 18 112.819 106.438 -43.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 111.899 106.602 -45.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 111.764 105.091 -45.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 110.408 106.107 -45.354 1.00 0.00 H new ATOM 297 N THR A 19 108.169 108.340 -38.527 1.00 0.00 N ATOM 298 CA THR A 19 107.759 108.232 -37.136 1.00 0.00 C ATOM 299 C THR A 19 106.417 108.937 -36.847 1.00 0.00 C ATOM 300 O THR A 19 105.648 108.497 -36.001 1.00 0.00 O ATOM 301 CB THR A 19 108.864 108.798 -36.242 1.00 0.00 C ATOM 302 OG1 THR A 19 109.170 110.127 -36.605 1.00 0.00 O ATOM 303 CG2 THR A 19 110.120 107.923 -36.286 1.00 0.00 C ATOM 0 H THR A 19 108.996 108.911 -38.703 1.00 0.00 H new ATOM 0 HA THR A 19 107.601 107.176 -36.919 1.00 0.00 H new ATOM 0 HB THR A 19 108.493 108.798 -35.217 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.988 110.412 -36.146 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.886 108.353 -35.640 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.876 106.918 -35.940 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.494 107.874 -37.309 1.00 0.00 H new ATOM 311 N ALA A 20 106.178 110.047 -37.572 1.00 0.00 N ATOM 312 CA ALA A 20 104.902 110.724 -37.422 1.00 0.00 C ATOM 313 C ALA A 20 103.718 109.825 -37.825 1.00 0.00 C ATOM 314 O ALA A 20 102.722 109.738 -37.117 1.00 0.00 O ATOM 315 CB ALA A 20 104.921 111.951 -38.333 1.00 0.00 C ATOM 0 H ALA A 20 106.827 110.469 -38.236 1.00 0.00 H new ATOM 0 HA ALA A 20 104.769 110.993 -36.374 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.975 112.484 -38.245 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.738 112.610 -38.039 1.00 0.00 H new ATOM 0 HB3 ALA A 20 105.064 111.635 -39.366 1.00 0.00 H new ATOM 321 N THR A 21 103.876 109.165 -38.990 1.00 0.00 N ATOM 322 CA THR A 21 102.814 108.268 -39.436 1.00 0.00 C ATOM 323 C THR A 21 102.656 107.029 -38.528 1.00 0.00 C ATOM 324 O THR A 21 101.552 106.564 -38.274 1.00 0.00 O ATOM 325 CB THR A 21 103.018 107.906 -40.914 1.00 0.00 C ATOM 326 OG1 THR A 21 101.791 107.575 -41.527 1.00 0.00 O ATOM 327 CG2 THR A 21 104.065 106.814 -41.161 1.00 0.00 C ATOM 0 H THR A 21 104.687 109.234 -39.605 1.00 0.00 H new ATOM 0 HA THR A 21 101.866 108.798 -39.349 1.00 0.00 H new ATOM 0 HB THR A 21 103.422 108.806 -41.378 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.946 107.350 -42.468 1.00 0.00 H new ATOM 0 HG21 THR A 21 104.144 106.621 -42.231 1.00 0.00 H new ATOM 0 HG22 THR A 21 105.031 107.143 -40.779 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.765 105.900 -40.649 1.00 0.00 H new ATOM 335 N ILE A 22 103.814 106.523 -38.066 1.00 0.00 N ATOM 336 CA ILE A 22 103.803 105.326 -37.240 1.00 0.00 C ATOM 337 C ILE A 22 103.175 105.604 -35.860 1.00 0.00 C ATOM 338 O ILE A 22 102.278 104.898 -35.413 1.00 0.00 O ATOM 339 CB ILE A 22 105.247 104.854 -37.062 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.892 104.501 -38.411 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.365 103.718 -36.036 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.932 103.000 -38.706 1.00 0.00 C ATOM 0 H ILE A 22 104.737 106.917 -38.249 1.00 0.00 H new ATOM 0 HA ILE A 22 103.202 104.559 -37.730 1.00 0.00 H new ATOM 0 HB ILE A 22 105.813 105.690 -36.650 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.343 105.003 -39.207 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.909 104.892 -38.429 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.409 103.417 -35.945 1.00 0.00 H new ATOM 0 HG22 ILE A 22 105.001 104.062 -35.068 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.770 102.867 -36.366 1.00 0.00 H new ATOM 0 HD11 ILE A 22 106.401 102.832 -39.675 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.507 102.492 -37.932 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.916 102.605 -38.722 1.00 0.00 H new ATOM 354 N LEU A 23 103.702 106.669 -35.222 1.00 0.00 N ATOM 355 CA LEU A 23 103.111 107.140 -33.977 1.00 0.00 C ATOM 356 C LEU A 23 101.591 107.370 -34.103 1.00 0.00 C ATOM 357 O LEU A 23 100.836 107.091 -33.181 1.00 0.00 O ATOM 358 CB LEU A 23 103.824 108.435 -33.552 1.00 0.00 C ATOM 359 CG LEU A 23 103.069 109.283 -32.522 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.861 108.505 -31.224 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.802 110.603 -32.262 1.00 0.00 C ATOM 0 H LEU A 23 104.512 107.198 -35.545 1.00 0.00 H new ATOM 0 HA LEU A 23 103.245 106.371 -33.216 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.800 108.176 -33.142 1.00 0.00 H new ATOM 0 HB3 LEU A 23 104.002 109.042 -34.440 1.00 0.00 H new ATOM 0 HG LEU A 23 102.087 109.519 -32.931 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.323 109.128 -30.509 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.282 107.604 -31.428 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.829 108.227 -30.807 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.248 111.188 -31.528 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.802 110.395 -31.881 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.878 111.166 -33.192 1.00 0.00 H new ATOM 373 N ILE A 24 101.193 107.907 -35.272 1.00 0.00 N ATOM 374 CA ILE A 24 99.777 108.092 -35.533 1.00 0.00 C ATOM 375 C ILE A 24 99.019 106.758 -35.492 1.00 0.00 C ATOM 376 O ILE A 24 98.019 106.614 -34.804 1.00 0.00 O ATOM 377 CB ILE A 24 99.641 108.803 -36.877 1.00 0.00 C ATOM 378 CG1 ILE A 24 100.045 110.257 -36.670 1.00 0.00 C ATOM 379 CG2 ILE A 24 98.262 108.644 -37.527 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.900 111.144 -36.171 1.00 0.00 C ATOM 0 H ILE A 24 101.818 108.207 -36.020 1.00 0.00 H new ATOM 0 HA ILE A 24 99.324 108.705 -34.754 1.00 0.00 H new ATOM 0 HB ILE A 24 100.307 108.333 -37.600 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.866 110.299 -35.954 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.422 110.659 -37.611 1.00 0.00 H new ATOM 0 HG21 ILE A 24 98.244 109.177 -38.478 1.00 0.00 H new ATOM 0 HG22 ILE A 24 98.061 107.587 -37.700 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.499 109.055 -36.866 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.259 112.165 -36.046 1.00 0.00 H new ATOM 0 HD12 ILE A 24 98.087 111.132 -36.897 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.538 110.767 -35.215 1.00 0.00 H new ATOM 392 N THR A 25 99.553 105.804 -36.273 1.00 0.00 N ATOM 393 CA THR A 25 98.806 104.575 -36.473 1.00 0.00 C ATOM 394 C THR A 25 98.555 103.842 -35.138 1.00 0.00 C ATOM 395 O THR A 25 97.454 103.375 -34.873 1.00 0.00 O ATOM 396 CB THR A 25 99.555 103.672 -37.466 1.00 0.00 C ATOM 397 OG1 THR A 25 100.381 104.385 -38.366 1.00 0.00 O ATOM 398 CG2 THR A 25 98.581 102.785 -38.245 1.00 0.00 C ATOM 0 H THR A 25 100.453 105.862 -36.750 1.00 0.00 H new ATOM 0 HA THR A 25 97.830 104.826 -36.888 1.00 0.00 H new ATOM 0 HB THR A 25 100.212 103.049 -36.859 1.00 0.00 H new ATOM 0 HG1 THR A 25 101.088 104.845 -37.867 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.138 102.157 -38.940 1.00 0.00 H new ATOM 0 HG22 THR A 25 98.027 102.154 -37.549 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.883 103.411 -38.801 1.00 0.00 H new ATOM 406 N ILE A 26 99.626 103.770 -34.319 1.00 0.00 N ATOM 407 CA ILE A 26 99.430 103.353 -32.936 1.00 0.00 C ATOM 408 C ILE A 26 98.469 104.296 -32.190 1.00 0.00 C ATOM 409 O ILE A 26 97.515 103.869 -31.550 1.00 0.00 O ATOM 410 CB ILE A 26 100.769 103.347 -32.199 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.846 102.522 -32.913 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.586 102.875 -30.756 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.211 103.195 -32.787 1.00 0.00 C ATOM 0 H ILE A 26 100.587 103.986 -34.584 1.00 0.00 H new ATOM 0 HA ILE A 26 98.998 102.352 -32.956 1.00 0.00 H new ATOM 0 HB ILE A 26 101.127 104.376 -32.194 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.888 101.520 -32.485 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.586 102.408 -33.966 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.550 102.877 -30.247 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.901 103.546 -30.238 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.177 101.865 -30.753 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.962 102.594 -33.300 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.171 104.187 -33.237 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.476 103.285 -31.734 1.00 0.00 H new ATOM 425 N ALA A 27 98.788 105.598 -32.318 1.00 0.00 N ATOM 426 CA ALA A 27 98.121 106.601 -31.491 1.00 0.00 C ATOM 427 C ALA A 27 96.585 106.504 -31.573 1.00 0.00 C ATOM 428 O ALA A 27 95.891 106.523 -30.564 1.00 0.00 O ATOM 429 CB ALA A 27 98.548 107.998 -31.946 1.00 0.00 C ATOM 0 H ALA A 27 99.483 105.965 -32.968 1.00 0.00 H new ATOM 0 HA ALA A 27 98.415 106.417 -30.458 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.052 108.749 -31.331 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.628 108.100 -31.842 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.269 108.142 -32.990 1.00 0.00 H new ATOM 435 N LYS A 28 96.103 106.399 -32.829 1.00 0.00 N ATOM 436 CA LYS A 28 94.686 106.215 -33.067 1.00 0.00 C ATOM 437 C LYS A 28 94.154 104.981 -32.324 1.00 0.00 C ATOM 438 O LYS A 28 93.230 105.059 -31.523 1.00 0.00 O ATOM 439 CB LYS A 28 94.468 106.071 -34.576 1.00 0.00 C ATOM 440 CG LYS A 28 94.365 107.428 -35.275 1.00 0.00 C ATOM 441 CD LYS A 28 93.277 108.312 -34.665 1.00 0.00 C ATOM 442 CE LYS A 28 92.739 109.328 -35.675 1.00 0.00 C ATOM 443 NZ LYS A 28 92.501 110.641 -35.084 1.00 0.00 N ATOM 0 H LYS A 28 96.677 106.440 -33.671 1.00 0.00 H new ATOM 0 HA LYS A 28 94.138 107.078 -32.689 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.292 105.503 -35.008 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.557 105.500 -34.757 1.00 0.00 H new ATOM 0 HG2 LYS A 28 95.325 107.941 -35.212 1.00 0.00 H new ATOM 0 HG3 LYS A 28 94.155 107.274 -36.333 1.00 0.00 H new ATOM 0 HD2 LYS A 28 92.459 107.687 -34.307 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.679 108.838 -33.799 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.449 109.428 -36.496 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.809 108.952 -36.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.138 111.289 -35.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 91.803 110.555 -34.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 93.392 111.016 -34.701 1.00 0.00 H new ATOM 457 N LYS A 29 94.801 103.845 -32.647 1.00 0.00 N ATOM 458 CA LYS A 29 94.256 102.559 -32.262 1.00 0.00 C ATOM 459 C LYS A 29 94.856 102.134 -30.917 1.00 0.00 C ATOM 460 O LYS A 29 96.066 102.031 -30.750 1.00 0.00 O ATOM 461 CB LYS A 29 94.611 101.517 -33.316 1.00 0.00 C ATOM 462 CG LYS A 29 93.960 100.181 -32.995 1.00 0.00 C ATOM 463 CD LYS A 29 94.174 99.175 -34.120 1.00 0.00 C ATOM 464 CE LYS A 29 93.002 99.152 -35.102 1.00 0.00 C ATOM 465 NZ LYS A 29 93.431 98.912 -36.475 1.00 0.00 N ATOM 0 H LYS A 29 95.681 103.805 -33.162 1.00 0.00 H new ATOM 0 HA LYS A 29 93.172 102.638 -32.175 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.283 101.860 -34.298 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.693 101.397 -33.365 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.374 99.786 -32.067 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.892 100.325 -32.831 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.091 99.421 -34.656 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.310 98.180 -33.695 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.297 98.376 -34.804 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.470 100.102 -35.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.637 98.524 -37.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.743 99.807 -36.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 94.219 98.233 -36.479 1.00 0.00 H new ATOM 479 N ASP A 30 93.925 101.895 -29.977 1.00 0.00 N ATOM 480 CA ASP A 30 94.298 101.448 -28.653 1.00 0.00 C ATOM 481 C ASP A 30 94.328 99.914 -28.618 1.00 0.00 C ATOM 482 O ASP A 30 93.311 99.248 -28.768 1.00 0.00 O ATOM 483 CB ASP A 30 93.264 101.962 -27.657 1.00 0.00 C ATOM 484 CG ASP A 30 93.335 103.488 -27.560 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.409 104.006 -27.257 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.317 104.139 -27.788 1.00 0.00 O ATOM 0 H ASP A 30 92.922 102.007 -30.122 1.00 0.00 H new ATOM 0 HA ASP A 30 95.286 101.829 -28.395 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.265 101.656 -27.969 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.441 101.520 -26.677 1.00 0.00 H new ATOM 491 N PHE A 31 95.560 99.409 -28.413 1.00 0.00 N ATOM 492 CA PHE A 31 95.867 98.029 -28.767 1.00 0.00 C ATOM 493 C PHE A 31 95.609 97.802 -30.266 1.00 0.00 C ATOM 494 O PHE A 31 94.810 96.966 -30.668 1.00 0.00 O ATOM 495 CB PHE A 31 95.057 97.021 -27.934 1.00 0.00 C ATOM 496 CG PHE A 31 95.333 97.108 -26.453 1.00 0.00 C ATOM 497 CD1 PHE A 31 94.623 98.043 -25.655 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.286 96.257 -25.835 1.00 0.00 C ATOM 499 CE1 PHE A 31 94.839 98.108 -24.257 1.00 0.00 C ATOM 500 CE2 PHE A 31 96.504 96.320 -24.435 1.00 0.00 C ATOM 501 CZ PHE A 31 95.775 97.241 -23.645 1.00 0.00 C ATOM 0 H PHE A 31 96.338 99.932 -28.012 1.00 0.00 H new ATOM 0 HA PHE A 31 96.921 97.861 -28.545 1.00 0.00 H new ATOM 0 HB2 PHE A 31 93.994 97.188 -28.108 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.282 96.012 -28.279 1.00 0.00 H new ATOM 0 HD1 PHE A 31 93.912 98.711 -26.118 1.00 0.00 H new ATOM 0 HD2 PHE A 31 96.849 95.557 -26.435 1.00 0.00 H new ATOM 0 HE1 PHE A 31 94.289 98.819 -23.658 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.227 95.665 -23.971 1.00 0.00 H new ATOM 0 HZ PHE A 31 95.933 97.282 -22.577 1.00 0.00 H new ATOM 511 N ILE A 32 96.349 98.611 -31.053 1.00 0.00 N ATOM 512 CA ILE A 32 97.037 98.130 -32.238 1.00 0.00 C ATOM 513 C ILE A 32 97.896 96.896 -31.906 1.00 0.00 C ATOM 514 O ILE A 32 97.681 96.210 -30.916 1.00 0.00 O ATOM 515 CB ILE A 32 97.842 99.301 -32.836 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.986 99.123 -34.344 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.207 99.495 -32.172 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.231 100.453 -35.054 1.00 0.00 C ATOM 0 H ILE A 32 96.477 99.607 -30.874 1.00 0.00 H new ATOM 0 HA ILE A 32 96.327 97.791 -32.992 1.00 0.00 H new ATOM 0 HB ILE A 32 97.278 100.211 -32.633 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.812 98.443 -34.552 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.084 98.660 -34.743 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.723 100.334 -32.639 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.069 99.699 -31.110 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.803 98.590 -32.294 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.328 100.281 -36.126 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.393 101.124 -34.868 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.148 100.904 -34.675 1.00 0.00 H new ATOM 530 N THR A 33 98.866 96.650 -32.803 1.00 0.00 N ATOM 531 CA THR A 33 100.194 96.278 -32.334 1.00 0.00 C ATOM 532 C THR A 33 101.238 96.885 -33.282 1.00 0.00 C ATOM 533 O THR A 33 100.917 97.590 -34.232 1.00 0.00 O ATOM 534 CB THR A 33 100.330 94.744 -32.269 1.00 0.00 C ATOM 535 OG1 THR A 33 100.574 94.159 -33.529 1.00 0.00 O ATOM 536 CG2 THR A 33 99.121 94.067 -31.609 1.00 0.00 C ATOM 0 H THR A 33 98.756 96.701 -33.816 1.00 0.00 H new ATOM 0 HA THR A 33 100.355 96.664 -31.328 1.00 0.00 H new ATOM 0 HB THR A 33 101.204 94.571 -31.641 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.721 93.950 -33.963 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.273 92.988 -31.591 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.010 94.435 -30.589 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.220 94.297 -32.177 1.00 0.00 H new ATOM 544 N ALA A 34 102.506 96.566 -32.969 1.00 0.00 N ATOM 545 CA ALA A 34 103.528 96.712 -34.001 1.00 0.00 C ATOM 546 C ALA A 34 103.180 95.945 -35.297 1.00 0.00 C ATOM 547 O ALA A 34 103.374 96.440 -36.400 1.00 0.00 O ATOM 548 CB ALA A 34 104.873 96.231 -33.457 1.00 0.00 C ATOM 0 H ALA A 34 102.829 96.226 -32.063 1.00 0.00 H new ATOM 0 HA ALA A 34 103.581 97.769 -34.261 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.637 96.340 -34.227 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.148 96.827 -32.587 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.795 95.183 -33.169 1.00 0.00 H new ATOM 554 N ALA A 35 102.663 94.718 -35.091 1.00 0.00 N ATOM 555 CA ALA A 35 102.241 93.889 -36.209 1.00 0.00 C ATOM 556 C ALA A 35 101.231 94.620 -37.116 1.00 0.00 C ATOM 557 O ALA A 35 101.391 94.657 -38.329 1.00 0.00 O ATOM 558 CB ALA A 35 101.656 92.566 -35.693 1.00 0.00 C ATOM 0 H ALA A 35 102.534 94.295 -34.172 1.00 0.00 H new ATOM 0 HA ALA A 35 103.120 93.674 -36.817 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.343 91.953 -36.538 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.413 92.033 -35.118 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.796 92.772 -35.056 1.00 0.00 H new ATOM 564 N GLU A 36 100.188 95.192 -36.482 1.00 0.00 N ATOM 565 CA GLU A 36 99.225 95.905 -37.309 1.00 0.00 C ATOM 566 C GLU A 36 99.862 97.098 -38.055 1.00 0.00 C ATOM 567 O GLU A 36 99.561 97.337 -39.217 1.00 0.00 O ATOM 568 CB GLU A 36 98.031 96.379 -36.475 1.00 0.00 C ATOM 569 CG GLU A 36 96.720 96.080 -37.194 1.00 0.00 C ATOM 570 CD GLU A 36 95.556 96.088 -36.203 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.349 97.109 -35.548 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.868 95.075 -36.096 1.00 0.00 O ATOM 0 H GLU A 36 100.006 95.175 -35.478 1.00 0.00 H new ATOM 0 HA GLU A 36 98.874 95.198 -38.061 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.040 95.884 -35.504 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.113 97.450 -36.288 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.548 96.822 -37.973 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.781 95.109 -37.686 1.00 0.00 H new ATOM 579 N VAL A 37 100.745 97.823 -37.337 1.00 0.00 N ATOM 580 CA VAL A 37 101.429 98.931 -37.987 1.00 0.00 C ATOM 581 C VAL A 37 102.256 98.470 -39.209 1.00 0.00 C ATOM 582 O VAL A 37 102.287 99.144 -40.232 1.00 0.00 O ATOM 583 CB VAL A 37 102.328 99.649 -36.974 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.110 100.778 -37.650 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.531 100.191 -35.782 1.00 0.00 C ATOM 0 H VAL A 37 100.985 97.665 -36.358 1.00 0.00 H new ATOM 0 HA VAL A 37 100.670 99.620 -38.356 1.00 0.00 H new ATOM 0 HB VAL A 37 103.033 98.912 -36.589 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.742 101.275 -36.914 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.733 100.365 -38.443 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.413 101.500 -38.075 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.208 100.692 -35.090 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.784 100.901 -36.137 1.00 0.00 H new ATOM 0 HG23 VAL A 37 101.034 99.366 -35.271 1.00 0.00 H new ATOM 595 N ARG A 38 102.933 97.313 -39.060 1.00 0.00 N ATOM 596 CA ARG A 38 103.449 96.653 -40.252 1.00 0.00 C ATOM 597 C ARG A 38 102.355 96.400 -41.313 1.00 0.00 C ATOM 598 O ARG A 38 102.549 96.642 -42.499 1.00 0.00 O ATOM 599 CB ARG A 38 104.113 95.340 -39.856 1.00 0.00 C ATOM 600 CG ARG A 38 105.240 95.550 -38.849 1.00 0.00 C ATOM 601 CD ARG A 38 106.482 94.743 -39.221 1.00 0.00 C ATOM 602 NE ARG A 38 107.006 95.189 -40.504 1.00 0.00 N ATOM 603 CZ ARG A 38 106.990 94.354 -41.563 1.00 0.00 C ATOM 604 NH1 ARG A 38 107.749 93.263 -41.561 1.00 0.00 N ATOM 605 NH2 ARG A 38 106.214 94.621 -42.609 1.00 0.00 N ATOM 0 H ARG A 38 103.123 96.846 -38.173 1.00 0.00 H new ATOM 0 HA ARG A 38 104.180 97.321 -40.708 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.366 94.670 -39.430 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.509 94.851 -40.746 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.494 96.609 -38.801 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.900 95.259 -37.855 1.00 0.00 H new ATOM 0 HD2 ARG A 38 107.243 94.857 -38.449 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.234 93.683 -39.270 1.00 0.00 H new ATOM 0 HE ARG A 38 107.384 96.131 -40.602 1.00 0.00 H new ATOM 0 HH11 ARG A 38 108.344 93.057 -40.758 1.00 0.00 H new ATOM 0 HH12 ARG A 38 107.737 92.632 -42.362 1.00 0.00 H new ATOM 0 HH21 ARG A 38 105.630 95.458 -42.611 1.00 0.00 H new ATOM 0 HH22 ARG A 38 106.202 93.989 -43.410 1.00 0.00 H new ATOM 619 N GLU A 39 101.205 95.905 -40.813 1.00 0.00 N ATOM 620 CA GLU A 39 100.211 95.308 -41.696 1.00 0.00 C ATOM 621 C GLU A 39 99.492 96.352 -42.572 1.00 0.00 C ATOM 622 O GLU A 39 99.194 96.102 -43.734 1.00 0.00 O ATOM 623 CB GLU A 39 99.183 94.559 -40.854 1.00 0.00 C ATOM 624 CG GLU A 39 99.819 93.387 -40.110 1.00 0.00 C ATOM 625 CD GLU A 39 99.341 92.040 -40.664 1.00 0.00 C ATOM 626 OE1 GLU A 39 99.587 91.768 -41.837 1.00 0.00 O ATOM 627 OE2 GLU A 39 98.727 91.282 -39.914 1.00 0.00 O ATOM 0 H GLU A 39 100.955 95.910 -39.824 1.00 0.00 H new ATOM 0 HA GLU A 39 100.734 94.628 -42.368 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.729 95.244 -40.137 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.382 94.193 -41.496 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.904 93.450 -40.191 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.574 93.452 -39.050 1.00 0.00 H new ATOM 719 N ASN A 46 108.820 97.935 -43.764 1.00 0.00 N ATOM 720 CA ASN A 46 109.054 96.977 -42.688 1.00 0.00 C ATOM 721 C ASN A 46 110.231 97.382 -41.779 1.00 0.00 C ATOM 722 O ASN A 46 110.114 97.402 -40.560 1.00 0.00 O ATOM 723 CB ASN A 46 109.286 95.581 -43.260 1.00 0.00 C ATOM 724 CG ASN A 46 110.458 95.559 -44.253 1.00 0.00 C ATOM 725 OD1 ASN A 46 110.329 95.949 -45.407 1.00 0.00 O ATOM 726 ND2 ASN A 46 111.603 95.084 -43.726 1.00 0.00 N ATOM 0 HA ASN A 46 108.157 96.972 -42.068 1.00 0.00 H new ATOM 0 HB2 ASN A 46 109.486 94.883 -42.447 1.00 0.00 H new ATOM 0 HB3 ASN A 46 108.380 95.238 -43.759 1.00 0.00 H new ATOM 0 HD21 ASN A 46 112.445 95.030 -44.300 1.00 0.00 H new ATOM 0 HD22 ASN A 46 111.628 94.778 -42.753 1.00 0.00 H new ATOM 733 N ALA A 47 111.362 97.696 -42.440 1.00 0.00 N ATOM 734 CA ALA A 47 112.547 98.021 -41.660 1.00 0.00 C ATOM 735 C ALA A 47 112.359 99.319 -40.855 1.00 0.00 C ATOM 736 O ALA A 47 112.676 99.383 -39.672 1.00 0.00 O ATOM 737 CB ALA A 47 113.751 98.157 -42.594 1.00 0.00 C ATOM 0 H ALA A 47 111.470 97.729 -43.454 1.00 0.00 H new ATOM 0 HA ALA A 47 112.717 97.212 -40.949 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.639 98.400 -42.010 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.910 97.217 -43.122 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.563 98.951 -43.317 1.00 0.00 H new ATOM 743 N VAL A 48 111.823 100.344 -41.550 1.00 0.00 N ATOM 744 CA VAL A 48 111.631 101.597 -40.834 1.00 0.00 C ATOM 745 C VAL A 48 110.617 101.442 -39.687 1.00 0.00 C ATOM 746 O VAL A 48 110.807 101.987 -38.611 1.00 0.00 O ATOM 747 CB VAL A 48 111.207 102.723 -41.783 1.00 0.00 C ATOM 748 CG1 VAL A 48 112.155 102.829 -42.975 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.764 102.567 -42.260 1.00 0.00 C ATOM 0 H VAL A 48 111.538 100.328 -42.529 1.00 0.00 H new ATOM 0 HA VAL A 48 112.592 101.868 -40.397 1.00 0.00 H new ATOM 0 HB VAL A 48 111.264 103.649 -41.211 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.828 103.637 -43.630 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.164 103.036 -42.620 1.00 0.00 H new ATOM 0 HG13 VAL A 48 112.151 101.890 -43.528 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.511 103.389 -42.930 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.656 101.621 -42.790 1.00 0.00 H new ATOM 0 HG23 VAL A 48 109.093 102.580 -41.401 1.00 0.00 H new ATOM 759 N VAL A 49 109.542 100.680 -39.972 1.00 0.00 N ATOM 760 CA VAL A 49 108.450 100.588 -39.012 1.00 0.00 C ATOM 761 C VAL A 49 108.912 100.031 -37.651 1.00 0.00 C ATOM 762 O VAL A 49 108.509 100.514 -36.600 1.00 0.00 O ATOM 763 CB VAL A 49 107.323 99.742 -39.616 1.00 0.00 C ATOM 764 CG1 VAL A 49 106.249 99.388 -38.591 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.692 100.493 -40.776 1.00 0.00 C ATOM 0 H VAL A 49 109.417 100.142 -40.829 1.00 0.00 H new ATOM 0 HA VAL A 49 108.079 101.593 -38.811 1.00 0.00 H new ATOM 0 HB VAL A 49 107.764 98.807 -39.963 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.474 98.789 -39.068 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.697 98.819 -37.776 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.808 100.303 -38.195 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.891 99.892 -41.206 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.285 101.439 -40.419 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.447 100.688 -41.537 1.00 0.00 H new ATOM 775 N ASN A 50 109.774 98.998 -37.732 1.00 0.00 N ATOM 776 CA ASN A 50 110.443 98.527 -36.527 1.00 0.00 C ATOM 777 C ASN A 50 111.173 99.672 -35.792 1.00 0.00 C ATOM 778 O ASN A 50 111.057 99.825 -34.583 1.00 0.00 O ATOM 779 CB ASN A 50 111.451 97.432 -36.906 1.00 0.00 C ATOM 780 CG ASN A 50 111.454 96.329 -35.843 1.00 0.00 C ATOM 781 OD1 ASN A 50 112.248 96.331 -34.910 1.00 0.00 O ATOM 782 ND2 ASN A 50 110.511 95.395 -36.055 1.00 0.00 N ATOM 0 H ASN A 50 110.010 98.497 -38.589 1.00 0.00 H new ATOM 0 HA ASN A 50 109.686 98.129 -35.851 1.00 0.00 H new ATOM 0 HB2 ASN A 50 111.194 97.011 -37.878 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.449 97.861 -36.999 1.00 0.00 H new ATOM 0 HD21 ASN A 50 110.417 94.610 -35.411 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.890 95.471 -36.860 1.00 0.00 H new ATOM 789 N SER A 51 111.925 100.457 -36.591 1.00 0.00 N ATOM 790 CA SER A 51 112.638 101.570 -35.982 1.00 0.00 C ATOM 791 C SER A 51 111.688 102.623 -35.370 1.00 0.00 C ATOM 792 O SER A 51 111.931 103.123 -34.280 1.00 0.00 O ATOM 793 CB SER A 51 113.537 102.228 -37.040 1.00 0.00 C ATOM 794 OG SER A 51 114.023 103.521 -36.695 1.00 0.00 O ATOM 0 H SER A 51 112.044 100.344 -37.598 1.00 0.00 H new ATOM 0 HA SER A 51 113.237 101.172 -35.163 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.389 101.574 -37.229 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.979 102.303 -37.974 1.00 0.00 H new ATOM 0 HG SER A 51 114.585 103.863 -37.421 1.00 0.00 H new ATOM 800 N ASN A 52 110.617 102.941 -36.126 1.00 0.00 N ATOM 801 CA ASN A 52 109.770 104.077 -35.791 1.00 0.00 C ATOM 802 C ASN A 52 108.957 103.878 -34.493 1.00 0.00 C ATOM 803 O ASN A 52 108.760 104.798 -33.710 1.00 0.00 O ATOM 804 CB ASN A 52 108.790 104.302 -36.939 1.00 0.00 C ATOM 805 CG ASN A 52 109.527 104.639 -38.242 1.00 0.00 C ATOM 806 OD1 ASN A 52 110.434 105.462 -38.276 1.00 0.00 O ATOM 807 ND2 ASN A 52 109.078 103.946 -39.304 1.00 0.00 N ATOM 0 H ASN A 52 110.330 102.428 -36.959 1.00 0.00 H new ATOM 0 HA ASN A 52 110.428 104.931 -35.632 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.183 103.408 -37.083 1.00 0.00 H new ATOM 0 HB3 ASN A 52 108.108 105.113 -36.684 1.00 0.00 H new ATOM 0 HD21 ASN A 52 109.499 104.089 -40.222 1.00 0.00 H new ATOM 0 HD22 ASN A 52 108.316 103.277 -39.191 1.00 0.00 H new ATOM 814 N ILE A 53 108.459 102.643 -34.336 1.00 0.00 N ATOM 815 CA ILE A 53 107.766 102.314 -33.106 1.00 0.00 C ATOM 816 C ILE A 53 108.733 102.302 -31.906 1.00 0.00 C ATOM 817 O ILE A 53 108.466 102.890 -30.865 1.00 0.00 O ATOM 818 CB ILE A 53 107.115 100.939 -33.255 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.200 100.848 -34.481 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.321 100.570 -32.008 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.951 99.394 -34.865 1.00 0.00 C ATOM 0 H ILE A 53 108.524 101.890 -35.021 1.00 0.00 H new ATOM 0 HA ILE A 53 107.007 103.074 -32.919 1.00 0.00 H new ATOM 0 HB ILE A 53 107.933 100.232 -33.392 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.251 101.340 -34.269 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.654 101.377 -35.319 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.869 99.587 -32.142 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.987 100.548 -31.146 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.538 101.310 -31.843 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.299 99.355 -35.738 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.900 98.912 -35.099 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.476 98.874 -34.033 1.00 0.00 H new ATOM 833 N GLY A 54 109.856 101.590 -32.111 1.00 0.00 N ATOM 834 CA GLY A 54 110.858 101.534 -31.061 1.00 0.00 C ATOM 835 C GLY A 54 111.399 102.914 -30.658 1.00 0.00 C ATOM 836 O GLY A 54 111.594 103.199 -29.487 1.00 0.00 O ATOM 0 H GLY A 54 110.077 101.070 -32.960 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.428 101.051 -30.184 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.687 100.910 -31.394 1.00 0.00 H new ATOM 840 N VAL A 55 111.649 103.739 -31.687 1.00 0.00 N ATOM 841 CA VAL A 55 112.232 105.043 -31.415 1.00 0.00 C ATOM 842 C VAL A 55 111.259 105.983 -30.664 1.00 0.00 C ATOM 843 O VAL A 55 111.672 106.771 -29.821 1.00 0.00 O ATOM 844 CB VAL A 55 112.723 105.660 -32.723 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.556 106.170 -33.547 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.748 106.763 -32.474 1.00 0.00 C ATOM 0 H VAL A 55 111.464 103.532 -32.669 1.00 0.00 H new ATOM 0 HA VAL A 55 113.081 104.906 -30.746 1.00 0.00 H new ATOM 0 HB VAL A 55 113.224 104.877 -33.292 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.928 106.605 -34.474 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.885 105.343 -33.778 1.00 0.00 H new ATOM 0 HG13 VAL A 55 111.015 106.929 -32.981 1.00 0.00 H new ATOM 0 HG21 VAL A 55 114.074 107.178 -33.427 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.296 107.550 -31.871 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.607 106.349 -31.946 1.00 0.00 H new ATOM 856 N LEU A 56 109.955 105.868 -31.007 1.00 0.00 N ATOM 857 CA LEU A 56 108.937 106.400 -30.108 1.00 0.00 C ATOM 858 C LEU A 56 109.084 105.813 -28.684 1.00 0.00 C ATOM 859 O LEU A 56 109.093 106.535 -27.696 1.00 0.00 O ATOM 860 CB LEU A 56 107.574 105.992 -30.678 1.00 0.00 C ATOM 861 CG LEU A 56 107.035 106.926 -31.770 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.126 107.656 -32.550 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.180 106.131 -32.750 1.00 0.00 C ATOM 0 H LEU A 56 109.606 105.431 -31.860 1.00 0.00 H new ATOM 0 HA LEU A 56 109.040 107.483 -30.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.652 104.984 -31.086 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.851 105.951 -29.863 1.00 0.00 H new ATOM 0 HG LEU A 56 106.447 107.686 -31.255 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.668 108.297 -33.303 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.717 108.265 -31.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.774 106.928 -33.038 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.799 106.797 -33.524 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.785 105.349 -33.210 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.344 105.677 -32.218 1.00 0.00 H new ATOM 875 N ILE A 57 109.232 104.477 -28.634 1.00 0.00 N ATOM 876 CA ILE A 57 109.261 103.848 -27.321 1.00 0.00 C ATOM 877 C ILE A 57 110.453 104.338 -26.464 1.00 0.00 C ATOM 878 O ILE A 57 110.315 104.597 -25.275 1.00 0.00 O ATOM 879 CB ILE A 57 109.318 102.328 -27.489 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.122 101.820 -28.311 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.463 101.628 -26.133 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.115 100.974 -27.531 1.00 0.00 C ATOM 0 H ILE A 57 109.327 103.854 -29.436 1.00 0.00 H new ATOM 0 HA ILE A 57 108.351 104.131 -26.792 1.00 0.00 H new ATOM 0 HB ILE A 57 110.211 102.072 -28.059 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.601 102.678 -28.735 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.499 101.231 -29.147 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.501 100.549 -26.283 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.381 101.960 -25.649 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.610 101.877 -25.502 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.309 100.663 -28.196 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.614 100.092 -27.129 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.703 101.563 -26.711 1.00 0.00 H new ATOM 894 N LYS A 58 111.614 104.447 -27.138 1.00 0.00 N ATOM 895 CA LYS A 58 112.848 104.777 -26.438 1.00 0.00 C ATOM 896 C LYS A 58 112.882 106.249 -25.951 1.00 0.00 C ATOM 897 O LYS A 58 113.603 106.589 -25.020 1.00 0.00 O ATOM 898 CB LYS A 58 114.032 104.451 -27.353 1.00 0.00 C ATOM 899 CG LYS A 58 114.329 105.559 -28.360 1.00 0.00 C ATOM 900 CD LYS A 58 115.449 106.482 -27.883 1.00 0.00 C ATOM 901 CE LYS A 58 116.101 107.239 -29.040 1.00 0.00 C ATOM 902 NZ LYS A 58 115.258 108.318 -29.540 1.00 0.00 N ATOM 0 H LYS A 58 111.713 104.313 -28.144 1.00 0.00 H new ATOM 0 HA LYS A 58 112.910 104.173 -25.533 1.00 0.00 H new ATOM 0 HB2 LYS A 58 114.918 104.275 -26.743 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.825 103.525 -27.890 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.608 105.115 -29.316 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.426 106.144 -28.532 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.048 107.196 -27.163 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.205 105.895 -27.362 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.056 107.650 -28.711 1.00 0.00 H new ATOM 0 HE3 LYS A 58 116.316 106.543 -29.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 115.742 108.802 -30.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 114.357 107.926 -29.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 115.073 108.997 -28.775 1.00 0.00 H new ATOM 916 N LYS A 59 112.070 107.085 -26.629 1.00 0.00 N ATOM 917 CA LYS A 59 111.762 108.403 -26.108 1.00 0.00 C ATOM 918 C LYS A 59 110.784 108.311 -24.918 1.00 0.00 C ATOM 919 O LYS A 59 110.999 108.907 -23.870 1.00 0.00 O ATOM 920 CB LYS A 59 111.113 109.207 -27.235 1.00 0.00 C ATOM 921 CG LYS A 59 112.058 109.448 -28.414 1.00 0.00 C ATOM 922 CD LYS A 59 111.286 109.791 -29.688 1.00 0.00 C ATOM 923 CE LYS A 59 112.221 110.126 -30.851 1.00 0.00 C ATOM 924 NZ LYS A 59 111.657 109.748 -32.142 1.00 0.00 N ATOM 0 H LYS A 59 111.630 106.863 -27.522 1.00 0.00 H new ATOM 0 HA LYS A 59 112.676 108.881 -25.757 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.227 108.679 -27.588 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.777 110.167 -26.843 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.743 110.260 -28.172 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.665 108.559 -28.583 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.650 108.950 -29.964 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.628 110.638 -29.496 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.432 111.195 -30.848 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.172 109.613 -30.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.424 109.622 -32.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.130 108.857 -32.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 111.014 110.496 -32.472 1.00 0.00 H new ATOM 938 N GLY A 60 109.707 107.532 -25.148 1.00 0.00 N ATOM 939 CA GLY A 60 108.378 108.080 -25.031 1.00 0.00 C ATOM 940 C GLY A 60 108.157 109.066 -26.173 1.00 0.00 C ATOM 941 O GLY A 60 108.593 110.210 -26.132 1.00 0.00 O ATOM 0 H GLY A 60 109.748 106.547 -25.409 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.635 107.283 -25.070 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.258 108.581 -24.070 1.00 0.00 H new ATOM 945 N LEU A 61 107.459 108.531 -27.188 1.00 0.00 N ATOM 946 CA LEU A 61 106.057 108.245 -27.022 1.00 0.00 C ATOM 947 C LEU A 61 105.666 107.228 -28.089 1.00 0.00 C ATOM 948 O LEU A 61 105.381 107.559 -29.233 1.00 0.00 O ATOM 949 CB LEU A 61 105.300 109.544 -27.306 1.00 0.00 C ATOM 950 CG LEU A 61 105.797 110.349 -28.525 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.703 111.285 -29.001 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.056 111.162 -28.237 1.00 0.00 C ATOM 0 H LEU A 61 107.845 108.299 -28.103 1.00 0.00 H new ATOM 0 HA LEU A 61 105.836 107.865 -26.024 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.247 109.305 -27.455 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.361 110.180 -26.423 1.00 0.00 H new ATOM 0 HG LEU A 61 106.050 109.621 -29.296 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.058 111.852 -29.862 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.826 110.704 -29.286 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.438 111.973 -28.198 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.352 111.704 -29.135 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.855 111.872 -27.434 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.861 110.492 -27.936 1.00 0.00 H new ATOM 964 N VAL A 62 105.647 105.967 -27.640 1.00 0.00 N ATOM 965 CA VAL A 62 104.482 105.164 -27.355 1.00 0.00 C ATOM 966 C VAL A 62 104.835 104.224 -26.192 1.00 0.00 C ATOM 967 O VAL A 62 105.984 103.837 -26.020 1.00 0.00 O ATOM 968 CB VAL A 62 104.114 104.377 -28.608 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.243 103.436 -29.016 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.805 103.612 -28.430 1.00 0.00 C ATOM 0 H VAL A 62 106.512 105.458 -27.458 1.00 0.00 H new ATOM 0 HA VAL A 62 103.627 105.778 -27.073 1.00 0.00 H new ATOM 0 HB VAL A 62 103.965 105.098 -29.412 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.953 102.887 -29.912 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.144 104.015 -29.220 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.440 102.732 -28.208 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.577 103.064 -29.344 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.903 102.911 -27.601 1.00 0.00 H new ATOM 0 HG23 VAL A 62 101.999 104.314 -28.217 1.00 0.00 H new ATOM 980 N GLU A 63 103.797 103.878 -25.408 1.00 0.00 N ATOM 981 CA GLU A 63 103.969 102.819 -24.420 1.00 0.00 C ATOM 982 C GLU A 63 103.299 101.522 -24.909 1.00 0.00 C ATOM 983 O GLU A 63 102.118 101.480 -25.229 1.00 0.00 O ATOM 984 CB GLU A 63 103.350 103.238 -23.088 1.00 0.00 C ATOM 985 CG GLU A 63 104.304 104.100 -22.260 1.00 0.00 C ATOM 986 CD GLU A 63 103.548 104.768 -21.107 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.597 104.173 -20.603 1.00 0.00 O ATOM 988 OE2 GLU A 63 103.922 105.875 -20.725 1.00 0.00 O ATOM 0 H GLU A 63 102.870 104.301 -25.441 1.00 0.00 H new ATOM 0 HA GLU A 63 105.036 102.643 -24.283 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.430 103.792 -23.274 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.078 102.349 -22.519 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.113 103.485 -21.866 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.761 104.860 -22.893 1.00 0.00 H new ATOM 995 N LYS A 64 104.127 100.464 -24.925 1.00 0.00 N ATOM 996 CA LYS A 64 103.620 99.175 -25.335 1.00 0.00 C ATOM 997 C LYS A 64 102.885 98.515 -24.164 1.00 0.00 C ATOM 998 O LYS A 64 103.460 98.204 -23.128 1.00 0.00 O ATOM 999 CB LYS A 64 104.791 98.313 -25.792 1.00 0.00 C ATOM 1000 CG LYS A 64 104.365 96.877 -26.073 1.00 0.00 C ATOM 1001 CD LYS A 64 104.740 95.933 -24.930 1.00 0.00 C ATOM 1002 CE LYS A 64 106.075 95.230 -25.182 1.00 0.00 C ATOM 1003 NZ LYS A 64 106.056 94.417 -26.392 1.00 0.00 N ATOM 0 H LYS A 64 105.113 100.486 -24.666 1.00 0.00 H new ATOM 0 HA LYS A 64 102.916 99.290 -26.159 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.229 98.744 -26.692 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.566 98.318 -25.026 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.287 96.843 -26.232 1.00 0.00 H new ATOM 0 HG3 LYS A 64 104.834 96.534 -26.995 1.00 0.00 H new ATOM 0 HD2 LYS A 64 104.797 96.496 -23.999 1.00 0.00 H new ATOM 0 HD3 LYS A 64 103.955 95.187 -24.804 1.00 0.00 H new ATOM 0 HE2 LYS A 64 106.866 95.976 -25.261 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.317 94.599 -24.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.334 93.442 -26.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 105.097 94.417 -26.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 106.723 94.811 -27.086 1.00 0.00 H new ATOM 1017 N SER A 65 101.575 98.327 -24.412 1.00 0.00 N ATOM 1018 CA SER A 65 100.716 97.702 -23.416 1.00 0.00 C ATOM 1019 C SER A 65 100.231 96.351 -23.949 1.00 0.00 C ATOM 1020 O SER A 65 99.377 96.286 -24.822 1.00 0.00 O ATOM 1021 CB SER A 65 99.476 98.588 -23.199 1.00 0.00 C ATOM 1022 OG SER A 65 98.483 98.067 -22.322 1.00 0.00 O ATOM 0 H SER A 65 101.106 98.596 -25.277 1.00 0.00 H new ATOM 0 HA SER A 65 101.271 97.574 -22.487 1.00 0.00 H new ATOM 0 HB2 SER A 65 99.806 99.552 -22.811 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.014 98.776 -24.168 1.00 0.00 H new ATOM 0 HG SER A 65 97.703 97.783 -22.843 1.00 0.00 H new ATOM 1028 N GLY A 66 100.813 95.285 -23.367 1.00 0.00 N ATOM 1029 CA GLY A 66 101.420 94.271 -24.215 1.00 0.00 C ATOM 1030 C GLY A 66 100.501 93.054 -24.345 1.00 0.00 C ATOM 1031 O GLY A 66 100.582 92.098 -23.584 1.00 0.00 O ATOM 0 H GLY A 66 100.870 95.117 -22.363 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.621 94.688 -25.202 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.379 93.966 -23.796 1.00 0.00 H new ATOM 1035 N ASP A 67 99.629 93.161 -25.361 1.00 0.00 N ATOM 1036 CA ASP A 67 100.094 93.030 -26.734 1.00 0.00 C ATOM 1037 C ASP A 67 99.215 93.873 -27.668 1.00 0.00 C ATOM 1038 O ASP A 67 98.570 93.360 -28.575 1.00 0.00 O ATOM 1039 CB ASP A 67 100.054 91.558 -27.159 1.00 0.00 C ATOM 1040 CG ASP A 67 101.396 90.883 -26.861 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.040 91.259 -25.883 1.00 0.00 O ATOM 1042 OD2 ASP A 67 101.782 89.989 -27.612 1.00 0.00 O ATOM 0 H ASP A 67 98.629 93.333 -25.255 1.00 0.00 H new ATOM 0 HA ASP A 67 101.121 93.389 -26.798 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.254 91.041 -26.630 1.00 0.00 H new ATOM 0 HB3 ASP A 67 99.831 91.486 -28.223 1.00 0.00 H new ATOM 1047 N GLY A 68 99.225 95.190 -27.380 1.00 0.00 N ATOM 1048 CA GLY A 68 99.367 96.171 -28.433 1.00 0.00 C ATOM 1049 C GLY A 68 100.067 97.422 -27.906 1.00 0.00 C ATOM 1050 O GLY A 68 100.331 97.569 -26.718 1.00 0.00 O ATOM 0 H GLY A 68 99.137 95.577 -26.440 1.00 0.00 H new ATOM 0 HA2 GLY A 68 99.939 95.747 -29.258 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.386 96.435 -28.827 1.00 0.00 H new ATOM 1054 N LEU A 69 100.344 98.308 -28.880 1.00 0.00 N ATOM 1055 CA LEU A 69 101.100 99.511 -28.598 1.00 0.00 C ATOM 1056 C LEU A 69 100.114 100.668 -28.464 1.00 0.00 C ATOM 1057 O LEU A 69 99.155 100.775 -29.217 1.00 0.00 O ATOM 1058 CB LEU A 69 102.083 99.759 -29.747 1.00 0.00 C ATOM 1059 CG LEU A 69 103.007 98.563 -30.015 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.323 99.028 -30.627 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.291 97.701 -28.783 1.00 0.00 C ATOM 0 H LEU A 69 100.054 98.204 -29.852 1.00 0.00 H new ATOM 0 HA LEU A 69 101.668 99.414 -27.673 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.523 99.989 -30.654 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.689 100.635 -29.516 1.00 0.00 H new ATOM 0 HG LEU A 69 102.464 97.930 -30.717 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.964 98.166 -30.810 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.126 99.539 -31.569 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.822 99.712 -29.941 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.951 96.878 -29.059 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.770 98.309 -28.016 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.354 97.300 -28.395 1.00 0.00 H new ATOM 1073 N ILE A 70 100.398 101.522 -27.461 1.00 0.00 N ATOM 1074 CA ILE A 70 99.477 102.621 -27.243 1.00 0.00 C ATOM 1075 C ILE A 70 100.218 103.778 -26.595 1.00 0.00 C ATOM 1076 O ILE A 70 101.162 103.602 -25.840 1.00 0.00 O ATOM 1077 CB ILE A 70 98.352 102.197 -26.306 1.00 0.00 C ATOM 1078 CG1 ILE A 70 98.888 101.648 -24.989 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.457 101.160 -26.961 1.00 0.00 C ATOM 1080 CD1 ILE A 70 97.792 101.632 -23.923 1.00 0.00 C ATOM 0 H ILE A 70 101.202 101.471 -26.836 1.00 0.00 H new ATOM 0 HA ILE A 70 99.061 102.917 -28.206 1.00 0.00 H new ATOM 0 HB ILE A 70 97.767 103.092 -26.093 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.271 100.638 -25.139 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.724 102.259 -24.648 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.663 100.876 -26.270 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.017 101.579 -27.866 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.047 100.280 -27.218 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.196 101.237 -22.991 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.429 102.647 -23.759 1.00 0.00 H new ATOM 0 HD13 ILE A 70 96.968 101.001 -24.258 1.00 0.00 H new ATOM 1092 N ILE A 71 99.719 104.976 -26.921 1.00 0.00 N ATOM 1093 CA ILE A 71 100.596 106.116 -26.788 1.00 0.00 C ATOM 1094 C ILE A 71 100.390 106.776 -25.427 1.00 0.00 C ATOM 1095 O ILE A 71 99.369 106.623 -24.767 1.00 0.00 O ATOM 1096 CB ILE A 71 100.326 107.089 -27.925 1.00 0.00 C ATOM 1097 CG1 ILE A 71 98.899 107.640 -27.825 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.625 106.414 -29.268 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.538 108.623 -28.937 1.00 0.00 C ATOM 0 H ILE A 71 98.774 105.165 -27.256 1.00 0.00 H new ATOM 0 HA ILE A 71 101.636 105.796 -26.847 1.00 0.00 H new ATOM 0 HB ILE A 71 100.992 107.949 -27.849 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.196 106.807 -27.846 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.777 108.135 -26.862 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.430 107.115 -30.079 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.671 106.108 -29.297 1.00 0.00 H new ATOM 0 HG23 ILE A 71 99.987 105.538 -29.385 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.514 108.969 -28.798 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.217 109.475 -28.904 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.626 108.127 -29.904 1.00 0.00 H new ATOM 1111 N THR A 72 101.450 107.517 -25.072 1.00 0.00 N ATOM 1112 CA THR A 72 101.455 108.241 -23.818 1.00 0.00 C ATOM 1113 C THR A 72 100.607 109.510 -23.966 1.00 0.00 C ATOM 1114 O THR A 72 100.097 109.831 -25.032 1.00 0.00 O ATOM 1115 CB THR A 72 102.896 108.651 -23.488 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.294 109.755 -24.272 1.00 0.00 O ATOM 1117 CG2 THR A 72 103.919 107.519 -23.647 1.00 0.00 C ATOM 0 H THR A 72 102.295 107.622 -25.633 1.00 0.00 H new ATOM 0 HA THR A 72 101.049 107.611 -23.026 1.00 0.00 H new ATOM 0 HB THR A 72 102.884 108.920 -22.432 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.152 109.558 -24.702 1.00 0.00 H new ATOM 0 HG21 THR A 72 104.913 107.889 -23.395 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.658 106.697 -22.981 1.00 0.00 H new ATOM 0 HG23 THR A 72 103.914 107.166 -24.678 1.00 0.00 H new ATOM 1125 N GLY A 73 100.496 110.205 -22.819 1.00 0.00 N ATOM 1126 CA GLY A 73 100.042 111.586 -22.885 1.00 0.00 C ATOM 1127 C GLY A 73 100.857 112.456 -23.868 1.00 0.00 C ATOM 1128 O GLY A 73 100.299 113.303 -24.557 1.00 0.00 O ATOM 0 H GLY A 73 100.704 109.848 -21.886 1.00 0.00 H new ATOM 0 HA2 GLY A 73 98.993 111.602 -23.182 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.098 112.027 -21.890 1.00 0.00 H new ATOM 1132 N GLU A 74 102.189 112.219 -23.904 1.00 0.00 N ATOM 1133 CA GLU A 74 103.015 113.081 -24.741 1.00 0.00 C ATOM 1134 C GLU A 74 102.545 113.073 -26.207 1.00 0.00 C ATOM 1135 O GLU A 74 102.346 114.120 -26.810 1.00 0.00 O ATOM 1136 CB GLU A 74 104.490 112.680 -24.659 1.00 0.00 C ATOM 1137 CG GLU A 74 104.999 112.653 -23.217 1.00 0.00 C ATOM 1138 CD GLU A 74 104.916 111.236 -22.644 1.00 0.00 C ATOM 1139 OE1 GLU A 74 105.682 110.380 -23.082 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.087 111.006 -21.765 1.00 0.00 O ATOM 0 H GLU A 74 102.679 111.484 -23.394 1.00 0.00 H new ATOM 0 HA GLU A 74 102.907 114.095 -24.357 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.623 111.696 -25.109 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.089 113.380 -25.241 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.030 113.005 -23.183 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.409 113.334 -22.604 1.00 0.00 H new ATOM 1147 N ALA A 75 102.355 111.844 -26.729 1.00 0.00 N ATOM 1148 CA ALA A 75 101.749 111.724 -28.051 1.00 0.00 C ATOM 1149 C ALA A 75 100.372 112.399 -28.099 1.00 0.00 C ATOM 1150 O ALA A 75 100.083 113.166 -29.005 1.00 0.00 O ATOM 1151 CB ALA A 75 101.589 110.245 -28.421 1.00 0.00 C ATOM 0 H ALA A 75 102.602 110.965 -26.274 1.00 0.00 H new ATOM 0 HA ALA A 75 102.408 112.221 -28.763 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.136 110.164 -29.409 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.567 109.764 -28.430 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.950 109.754 -27.687 1.00 0.00 H new ATOM 1157 N GLN A 76 99.554 112.101 -27.075 1.00 0.00 N ATOM 1158 CA GLN A 76 98.178 112.571 -27.123 1.00 0.00 C ATOM 1159 C GLN A 76 98.072 114.101 -27.345 1.00 0.00 C ATOM 1160 O GLN A 76 97.169 114.572 -28.025 1.00 0.00 O ATOM 1161 CB GLN A 76 97.502 112.183 -25.809 1.00 0.00 C ATOM 1162 CG GLN A 76 97.011 110.736 -25.825 1.00 0.00 C ATOM 1163 CD GLN A 76 96.117 110.477 -24.611 1.00 0.00 C ATOM 1164 OE1 GLN A 76 94.895 110.500 -24.688 1.00 0.00 O ATOM 1165 NE2 GLN A 76 96.817 110.229 -23.488 1.00 0.00 N ATOM 0 H GLN A 76 99.812 111.564 -26.247 1.00 0.00 H new ATOM 0 HA GLN A 76 97.684 112.105 -27.975 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.204 112.319 -24.986 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.660 112.850 -25.623 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.458 110.541 -26.744 1.00 0.00 H new ATOM 0 HG3 GLN A 76 97.861 110.054 -25.814 1.00 0.00 H new ATOM 0 HE21 GLN A 76 97.837 110.229 -23.512 1.00 0.00 H new ATOM 0 HE22 GLN A 76 96.328 110.041 -22.613 1.00 0.00 H new ATOM 1174 N ASP A 77 99.026 114.844 -26.748 1.00 0.00 N ATOM 1175 CA ASP A 77 99.078 116.269 -27.025 1.00 0.00 C ATOM 1176 C ASP A 77 99.473 116.545 -28.488 1.00 0.00 C ATOM 1177 O ASP A 77 98.874 117.373 -29.164 1.00 0.00 O ATOM 1178 CB ASP A 77 100.090 116.925 -26.086 1.00 0.00 C ATOM 1179 CG ASP A 77 99.761 118.411 -25.917 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.815 119.139 -26.907 1.00 0.00 O ATOM 1181 OD2 ASP A 77 99.454 118.820 -24.798 1.00 0.00 O ATOM 0 H ASP A 77 99.733 114.491 -26.103 1.00 0.00 H new ATOM 0 HA ASP A 77 98.085 116.688 -26.862 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.074 116.428 -25.116 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.097 116.810 -26.486 1.00 0.00 H new ATOM 1186 N ILE A 78 100.512 115.807 -28.933 1.00 0.00 N ATOM 1187 CA ILE A 78 101.045 116.048 -30.260 1.00 0.00 C ATOM 1188 C ILE A 78 99.998 115.757 -31.354 1.00 0.00 C ATOM 1189 O ILE A 78 99.816 116.539 -32.277 1.00 0.00 O ATOM 1190 CB ILE A 78 102.280 115.155 -30.443 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.425 115.510 -29.482 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.779 115.140 -31.892 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.385 116.941 -28.931 1.00 0.00 C ATOM 0 H ILE A 78 100.974 115.068 -28.403 1.00 0.00 H new ATOM 0 HA ILE A 78 101.317 117.099 -30.357 1.00 0.00 H new ATOM 0 HB ILE A 78 101.946 114.148 -30.191 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.406 114.813 -28.644 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.373 115.362 -29.999 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.654 114.494 -31.969 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.991 114.763 -32.544 1.00 0.00 H new ATOM 0 HG23 ILE A 78 103.047 116.152 -32.195 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.232 117.097 -28.263 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.438 117.650 -29.757 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.456 117.093 -28.381 1.00 0.00 H new ATOM 1205 N ILE A 79 99.347 114.589 -31.206 1.00 0.00 N ATOM 1206 CA ILE A 79 98.349 114.170 -32.172 1.00 0.00 C ATOM 1207 C ILE A 79 97.148 115.126 -32.220 1.00 0.00 C ATOM 1208 O ILE A 79 96.680 115.498 -33.288 1.00 0.00 O ATOM 1209 CB ILE A 79 97.819 112.790 -31.786 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.912 111.761 -31.473 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.857 112.274 -32.852 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.232 112.011 -32.203 1.00 0.00 C ATOM 0 H ILE A 79 99.499 113.937 -30.436 1.00 0.00 H new ATOM 0 HA ILE A 79 98.834 114.161 -33.148 1.00 0.00 H new ATOM 0 HB ILE A 79 97.280 112.923 -30.848 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.098 111.759 -30.399 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.547 110.768 -31.735 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.488 111.290 -32.563 1.00 0.00 H new ATOM 0 HG22 ILE A 79 96.018 112.963 -32.949 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.378 112.200 -33.807 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.952 111.240 -31.928 1.00 0.00 H new ATOM 0 HD12 ILE A 79 100.064 111.982 -33.280 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.623 112.989 -31.923 1.00 0.00 H new ATOM 1224 N SER A 80 96.663 115.484 -31.016 1.00 0.00 N ATOM 1225 CA SER A 80 95.565 116.438 -30.976 1.00 0.00 C ATOM 1226 C SER A 80 95.936 117.773 -31.650 1.00 0.00 C ATOM 1227 O SER A 80 95.174 118.311 -32.445 1.00 0.00 O ATOM 1228 CB SER A 80 95.171 116.682 -29.512 1.00 0.00 C ATOM 1229 OG SER A 80 94.997 115.515 -28.717 1.00 0.00 O ATOM 0 H SER A 80 96.997 115.145 -30.114 1.00 0.00 H new ATOM 0 HA SER A 80 94.726 116.018 -31.531 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.936 117.305 -29.048 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.242 117.253 -29.495 1.00 0.00 H new ATOM 0 HG SER A 80 95.808 115.354 -28.190 1.00 0.00 H new ATOM 1235 N ASN A 81 97.134 118.271 -31.296 1.00 0.00 N ATOM 1236 CA ASN A 81 97.540 119.544 -31.874 1.00 0.00 C ATOM 1237 C ASN A 81 97.783 119.435 -33.394 1.00 0.00 C ATOM 1238 O ASN A 81 97.350 120.279 -34.168 1.00 0.00 O ATOM 1239 CB ASN A 81 98.812 120.033 -31.181 1.00 0.00 C ATOM 1240 CG ASN A 81 98.945 121.548 -31.348 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.787 122.319 -30.407 1.00 0.00 O ATOM 1242 ND2 ASN A 81 99.244 121.916 -32.606 1.00 0.00 N ATOM 0 H ASN A 81 97.796 117.837 -30.652 1.00 0.00 H new ATOM 0 HA ASN A 81 96.730 120.257 -31.720 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.782 119.776 -30.122 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.683 119.534 -31.605 1.00 0.00 H new ATOM 0 HD21 ASN A 81 99.356 122.903 -32.835 1.00 0.00 H new ATOM 0 HD22 ASN A 81 99.359 121.208 -33.331 1.00 0.00 H new ATOM 1249 N ALA A 82 98.502 118.359 -33.770 1.00 0.00 N ATOM 1250 CA ALA A 82 98.849 118.189 -35.173 1.00 0.00 C ATOM 1251 C ALA A 82 97.611 117.942 -36.046 1.00 0.00 C ATOM 1252 O ALA A 82 97.439 118.551 -37.091 1.00 0.00 O ATOM 1253 CB ALA A 82 99.802 117.012 -35.331 1.00 0.00 C ATOM 0 H ALA A 82 98.837 117.628 -33.143 1.00 0.00 H new ATOM 0 HA ALA A 82 99.323 119.113 -35.503 1.00 0.00 H new ATOM 0 HB1 ALA A 82 100.058 116.890 -36.383 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.709 117.199 -34.756 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.322 116.104 -34.967 1.00 0.00 H new