USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=18 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+ -108:sc= -0.0865 (180deg=-1.05) USER MOD Single : A 11 SER OG : rot 120:sc= -0.632 USER MOD Single : A 12 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.015) USER MOD Single : A 16 ASN : amide:sc= -1.68! C(o=-1.7!,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -154:sc= -0.531 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 70:sc= 0.336 USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.212) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 0.492 (180deg=0.323) USER MOD Single : A 33 THR OG1 : rot -87:sc= -2.27! USER MOD Single : A 46 ASN :FLIP amide:sc= -0.219 F(o=-1.8!,f=-0.22) USER MOD Single : A 50 ASN : amide:sc= -0.0452 K(o=-0.045,f=-0.92) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.28 F(o=-4.3!,f=-2.3) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= -0.311 (180deg=-0.354) USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= -1.06 (180deg=-3.39!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -105:sc= 1.17 USER MOD Single : A 72 THR OG1 : rot -140:sc= 0.0173 USER MOD Single : A 76 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.5) USER MOD Single : A 80 SER OG : rot 102:sc= 1.13 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 101.771 114.277 -41.444 1.00 0.00 N ATOM 54 CA VAL A 4 102.962 114.007 -40.652 1.00 0.00 C ATOM 55 C VAL A 4 103.788 115.277 -40.367 1.00 0.00 C ATOM 56 O VAL A 4 104.325 115.448 -39.284 1.00 0.00 O ATOM 57 CB VAL A 4 103.822 112.964 -41.358 1.00 0.00 C ATOM 58 CG1 VAL A 4 103.024 111.687 -41.632 1.00 0.00 C ATOM 59 CG2 VAL A 4 104.437 113.529 -42.631 1.00 0.00 C ATOM 0 HA VAL A 4 102.631 113.625 -39.686 1.00 0.00 H new ATOM 0 HB VAL A 4 104.643 112.698 -40.692 1.00 0.00 H new ATOM 0 HG11 VAL A 4 103.662 110.961 -42.136 1.00 0.00 H new ATOM 0 HG12 VAL A 4 102.672 111.268 -40.689 1.00 0.00 H new ATOM 0 HG13 VAL A 4 102.169 111.921 -42.266 1.00 0.00 H new ATOM 0 HG21 VAL A 4 105.045 112.763 -43.113 1.00 0.00 H new ATOM 0 HG22 VAL A 4 103.644 113.843 -43.310 1.00 0.00 H new ATOM 0 HG23 VAL A 4 105.063 114.386 -42.383 1.00 0.00 H new ATOM 69 N THR A 5 103.866 116.151 -41.384 1.00 0.00 N ATOM 70 CA THR A 5 104.606 117.388 -41.200 1.00 0.00 C ATOM 71 C THR A 5 104.046 118.228 -40.027 1.00 0.00 C ATOM 72 O THR A 5 104.797 118.827 -39.267 1.00 0.00 O ATOM 73 CB THR A 5 104.471 118.205 -42.492 1.00 0.00 C ATOM 74 OG1 THR A 5 104.881 117.476 -43.632 1.00 0.00 O ATOM 75 CG2 THR A 5 105.129 119.585 -42.383 1.00 0.00 C ATOM 0 H THR A 5 103.441 116.024 -42.303 1.00 0.00 H new ATOM 0 HA THR A 5 105.644 117.146 -40.972 1.00 0.00 H new ATOM 0 HB THR A 5 103.408 118.399 -42.633 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.777 118.033 -44.431 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.005 120.122 -43.323 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.659 120.150 -41.578 1.00 0.00 H new ATOM 0 HG23 THR A 5 106.191 119.466 -42.170 1.00 0.00 H new ATOM 83 N TYR A 6 102.702 118.237 -39.925 1.00 0.00 N ATOM 84 CA TYR A 6 102.072 118.857 -38.764 1.00 0.00 C ATOM 85 C TYR A 6 102.471 118.153 -37.447 1.00 0.00 C ATOM 86 O TYR A 6 102.649 118.799 -36.423 1.00 0.00 O ATOM 87 CB TYR A 6 100.542 118.856 -38.912 1.00 0.00 C ATOM 88 CG TYR A 6 100.067 119.746 -40.036 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.478 121.102 -40.091 1.00 0.00 C ATOM 90 CD2 TYR A 6 99.227 119.240 -41.062 1.00 0.00 C ATOM 91 CE1 TYR A 6 100.091 121.930 -41.174 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.841 120.064 -42.149 1.00 0.00 C ATOM 93 CZ TYR A 6 99.274 121.409 -42.205 1.00 0.00 C ATOM 94 OH TYR A 6 98.902 122.212 -43.265 1.00 0.00 O ATOM 0 H TYR A 6 102.060 117.836 -40.609 1.00 0.00 H new ATOM 0 HA TYR A 6 102.429 119.886 -38.717 1.00 0.00 H new ATOM 0 HB2 TYR A 6 100.199 117.837 -39.090 1.00 0.00 H new ATOM 0 HB3 TYR A 6 100.090 119.186 -37.977 1.00 0.00 H new ATOM 0 HD1 TYR A 6 101.092 121.508 -39.300 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.879 118.219 -41.014 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.420 122.958 -41.212 1.00 0.00 H new ATOM 0 HE2 TYR A 6 98.216 119.665 -42.934 1.00 0.00 H new ATOM 0 HH TYR A 6 98.343 121.698 -43.884 1.00 0.00 H new ATOM 104 N ILE A 7 102.582 116.810 -37.525 1.00 0.00 N ATOM 105 CA ILE A 7 102.998 116.033 -36.362 1.00 0.00 C ATOM 106 C ILE A 7 104.418 116.413 -35.903 1.00 0.00 C ATOM 107 O ILE A 7 104.671 116.620 -34.723 1.00 0.00 O ATOM 108 CB ILE A 7 102.934 114.541 -36.698 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.568 114.167 -37.273 1.00 0.00 C ATOM 110 CG2 ILE A 7 103.263 113.691 -35.470 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.438 114.681 -36.385 1.00 0.00 C ATOM 0 H ILE A 7 102.392 116.262 -38.364 1.00 0.00 H new ATOM 0 HA ILE A 7 102.317 116.257 -35.540 1.00 0.00 H new ATOM 0 HB ILE A 7 103.685 114.335 -37.461 1.00 0.00 H new ATOM 0 HG12 ILE A 7 101.465 114.584 -38.275 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.495 113.084 -37.369 1.00 0.00 H new ATOM 0 HG21 ILE A 7 103.211 112.635 -35.734 1.00 0.00 H new ATOM 0 HG22 ILE A 7 104.268 113.929 -35.122 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.545 113.903 -34.678 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.478 114.400 -36.819 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.529 114.244 -35.391 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.499 115.767 -36.311 1.00 0.00 H new ATOM 123 N ILE A 8 105.320 116.481 -36.901 1.00 0.00 N ATOM 124 CA ILE A 8 106.667 116.968 -36.647 1.00 0.00 C ATOM 125 C ILE A 8 106.648 118.375 -36.019 1.00 0.00 C ATOM 126 O ILE A 8 107.290 118.633 -35.008 1.00 0.00 O ATOM 127 CB ILE A 8 107.443 117.008 -37.969 1.00 0.00 C ATOM 128 CG1 ILE A 8 107.484 115.633 -38.640 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.859 117.542 -37.754 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.991 115.709 -40.079 1.00 0.00 C ATOM 0 H ILE A 8 105.136 116.209 -37.867 1.00 0.00 H new ATOM 0 HA ILE A 8 107.151 116.291 -35.943 1.00 0.00 H new ATOM 0 HB ILE A 8 106.914 117.688 -38.637 1.00 0.00 H new ATOM 0 HG12 ILE A 8 108.128 114.968 -38.064 1.00 0.00 H new ATOM 0 HG13 ILE A 8 106.485 115.196 -38.631 1.00 0.00 H new ATOM 0 HG21 ILE A 8 109.389 117.561 -38.706 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.809 118.552 -37.346 1.00 0.00 H new ATOM 0 HG23 ILE A 8 109.390 116.895 -37.056 1.00 0.00 H new ATOM 0 HD11 ILE A 8 108.003 114.710 -40.514 1.00 0.00 H new ATOM 0 HD12 ILE A 8 107.332 116.351 -40.663 1.00 0.00 H new ATOM 0 HD13 ILE A 8 109.000 116.120 -40.088 1.00 0.00 H new ATOM 142 N LYS A 9 105.872 119.259 -36.681 1.00 0.00 N ATOM 143 CA LYS A 9 105.735 120.623 -36.198 1.00 0.00 C ATOM 144 C LYS A 9 105.262 120.665 -34.732 1.00 0.00 C ATOM 145 O LYS A 9 105.854 121.328 -33.889 1.00 0.00 O ATOM 146 CB LYS A 9 104.707 121.338 -37.075 1.00 0.00 C ATOM 147 CG LYS A 9 104.839 122.858 -36.993 1.00 0.00 C ATOM 148 CD LYS A 9 105.592 123.430 -38.194 1.00 0.00 C ATOM 149 CE LYS A 9 107.070 123.037 -38.182 1.00 0.00 C ATOM 150 NZ LYS A 9 107.315 121.776 -38.870 1.00 0.00 N ATOM 0 H LYS A 9 105.348 119.047 -37.530 1.00 0.00 H new ATOM 0 HA LYS A 9 106.708 121.111 -36.248 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.830 121.019 -38.110 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.703 121.045 -36.768 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.847 123.306 -36.939 1.00 0.00 H new ATOM 0 HG3 LYS A 9 105.361 123.128 -36.075 1.00 0.00 H new ATOM 0 HD2 LYS A 9 105.130 123.075 -39.115 1.00 0.00 H new ATOM 0 HD3 LYS A 9 105.505 124.517 -38.193 1.00 0.00 H new ATOM 0 HE2 LYS A 9 107.657 123.825 -38.654 1.00 0.00 H new ATOM 0 HE3 LYS A 9 107.414 122.958 -37.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 107.540 121.038 -38.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 106.466 121.501 -39.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 108.115 121.888 -39.526 1.00 0.00 H new ATOM 164 N ALA A 10 104.167 119.919 -34.490 1.00 0.00 N ATOM 165 CA ALA A 10 103.523 120.008 -33.189 1.00 0.00 C ATOM 166 C ALA A 10 104.402 119.392 -32.086 1.00 0.00 C ATOM 167 O ALA A 10 104.579 119.976 -31.025 1.00 0.00 O ATOM 168 CB ALA A 10 102.159 119.308 -33.221 1.00 0.00 C ATOM 0 H ALA A 10 103.733 119.277 -35.154 1.00 0.00 H new ATOM 0 HA ALA A 10 103.380 121.064 -32.960 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.689 119.383 -32.241 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.522 119.785 -33.966 1.00 0.00 H new ATOM 0 HB3 ALA A 10 102.295 118.258 -33.479 1.00 0.00 H new ATOM 174 N SER A 11 104.942 118.190 -32.389 1.00 0.00 N ATOM 175 CA SER A 11 105.901 117.608 -31.462 1.00 0.00 C ATOM 176 C SER A 11 107.063 118.566 -31.132 1.00 0.00 C ATOM 177 O SER A 11 107.446 118.733 -29.980 1.00 0.00 O ATOM 178 CB SER A 11 106.467 116.305 -32.049 1.00 0.00 C ATOM 179 OG SER A 11 107.546 115.733 -31.318 1.00 0.00 O ATOM 0 H SER A 11 104.737 117.640 -33.223 1.00 0.00 H new ATOM 0 HA SER A 11 105.367 117.408 -30.533 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.662 115.573 -32.111 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.801 116.499 -33.068 1.00 0.00 H new ATOM 0 HG SER A 11 107.297 114.834 -31.017 1.00 0.00 H new ATOM 185 N ASN A 12 107.584 119.163 -32.227 1.00 0.00 N ATOM 186 CA ASN A 12 108.679 120.129 -32.210 1.00 0.00 C ATOM 187 C ASN A 12 109.966 119.469 -32.703 1.00 0.00 C ATOM 188 O ASN A 12 110.939 119.317 -31.974 1.00 0.00 O ATOM 189 CB ASN A 12 108.904 120.755 -30.830 1.00 0.00 C ATOM 190 CG ASN A 12 109.843 121.957 -30.948 1.00 0.00 C ATOM 191 OD1 ASN A 12 111.013 121.902 -30.593 1.00 0.00 O ATOM 192 ND2 ASN A 12 109.243 123.042 -31.471 1.00 0.00 N ATOM 0 H ASN A 12 107.237 118.974 -33.167 1.00 0.00 H new ATOM 0 HA ASN A 12 108.396 120.940 -32.881 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.951 121.068 -30.404 1.00 0.00 H new ATOM 0 HB3 ASN A 12 109.329 120.016 -30.151 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.771 123.906 -31.597 1.00 0.00 H new ATOM 0 HD22 ASN A 12 108.260 123.001 -31.741 1.00 0.00 H new ATOM 199 N ASP A 13 109.897 119.090 -33.994 1.00 0.00 N ATOM 200 CA ASP A 13 111.085 118.563 -34.655 1.00 0.00 C ATOM 201 C ASP A 13 111.731 117.413 -33.859 1.00 0.00 C ATOM 202 O ASP A 13 112.936 117.383 -33.640 1.00 0.00 O ATOM 203 CB ASP A 13 112.101 119.687 -34.858 1.00 0.00 C ATOM 204 CG ASP A 13 112.994 119.370 -36.058 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.461 119.109 -37.135 1.00 0.00 O ATOM 206 OD2 ASP A 13 114.215 119.385 -35.901 1.00 0.00 O ATOM 0 H ASP A 13 109.060 119.139 -34.574 1.00 0.00 H new ATOM 0 HA ASP A 13 110.775 118.160 -35.619 1.00 0.00 H new ATOM 0 HB2 ASP A 13 111.583 120.633 -35.019 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.710 119.805 -33.962 1.00 0.00 H new ATOM 211 N VAL A 14 110.854 116.476 -33.444 1.00 0.00 N ATOM 212 CA VAL A 14 111.303 115.132 -33.115 1.00 0.00 C ATOM 213 C VAL A 14 111.106 114.205 -34.321 1.00 0.00 C ATOM 214 O VAL A 14 112.048 113.629 -34.850 1.00 0.00 O ATOM 215 CB VAL A 14 110.499 114.635 -31.912 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.777 113.160 -31.613 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.793 115.497 -30.684 1.00 0.00 C ATOM 0 H VAL A 14 109.852 116.632 -33.334 1.00 0.00 H new ATOM 0 HA VAL A 14 112.364 115.138 -32.866 1.00 0.00 H new ATOM 0 HB VAL A 14 109.442 114.723 -32.162 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.187 112.846 -30.752 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.506 112.556 -32.479 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.837 113.026 -31.395 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.214 115.132 -29.836 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.856 115.443 -30.448 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.519 116.531 -30.892 1.00 0.00 H new ATOM 227 N LEU A 15 109.821 114.102 -34.714 1.00 0.00 N ATOM 228 CA LEU A 15 109.473 113.107 -35.712 1.00 0.00 C ATOM 229 C LEU A 15 110.165 113.441 -37.035 1.00 0.00 C ATOM 230 O LEU A 15 110.694 114.528 -37.237 1.00 0.00 O ATOM 231 CB LEU A 15 107.958 113.075 -35.927 1.00 0.00 C ATOM 232 CG LEU A 15 107.159 112.640 -34.697 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.598 111.271 -34.185 1.00 0.00 C ATOM 234 CD2 LEU A 15 107.204 113.685 -33.584 1.00 0.00 C ATOM 0 H LEU A 15 109.049 114.672 -34.368 1.00 0.00 H new ATOM 0 HA LEU A 15 109.803 112.129 -35.360 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.624 114.067 -36.231 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.733 112.397 -36.751 1.00 0.00 H new ATOM 0 HG LEU A 15 106.121 112.552 -35.019 1.00 0.00 H new ATOM 0 HD11 LEU A 15 107.005 111.002 -33.311 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.451 110.526 -34.967 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.652 111.306 -33.911 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.623 113.333 -32.731 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.238 113.846 -33.278 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.783 114.622 -33.948 1.00 0.00 H new ATOM 246 N ASN A 16 110.119 112.425 -37.915 1.00 0.00 N ATOM 247 CA ASN A 16 110.206 112.687 -39.343 1.00 0.00 C ATOM 248 C ASN A 16 108.782 112.721 -39.924 1.00 0.00 C ATOM 249 O ASN A 16 107.823 113.042 -39.234 1.00 0.00 O ATOM 250 CB ASN A 16 111.081 111.603 -39.988 1.00 0.00 C ATOM 251 CG ASN A 16 111.645 112.106 -41.318 1.00 0.00 C ATOM 252 OD1 ASN A 16 111.571 113.283 -41.650 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.213 111.130 -42.047 1.00 0.00 N ATOM 0 H ASN A 16 110.024 111.442 -37.661 1.00 0.00 H new ATOM 0 HA ASN A 16 110.670 113.652 -39.548 1.00 0.00 H new ATOM 0 HB2 ASN A 16 111.897 111.335 -39.316 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.493 110.700 -40.152 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.626 111.346 -42.954 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.231 110.174 -41.693 1.00 0.00 H new ATOM 260 N GLU A 17 108.704 112.375 -41.222 1.00 0.00 N ATOM 261 CA GLU A 17 107.448 111.844 -41.726 1.00 0.00 C ATOM 262 C GLU A 17 107.087 110.530 -41.013 1.00 0.00 C ATOM 263 O GLU A 17 106.026 110.391 -40.418 1.00 0.00 O ATOM 264 CB GLU A 17 107.560 111.608 -43.234 1.00 0.00 C ATOM 265 CG GLU A 17 107.729 112.916 -44.006 1.00 0.00 C ATOM 266 CD GLU A 17 109.207 113.307 -44.051 1.00 0.00 C ATOM 267 OE1 GLU A 17 110.001 112.539 -44.592 1.00 0.00 O ATOM 268 OE2 GLU A 17 109.547 114.375 -43.544 1.00 0.00 O ATOM 0 H GLU A 17 109.460 112.452 -41.902 1.00 0.00 H new ATOM 0 HA GLU A 17 106.657 112.568 -41.529 1.00 0.00 H new ATOM 0 HB2 GLU A 17 108.409 110.955 -43.437 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.668 111.091 -43.587 1.00 0.00 H new ATOM 0 HG2 GLU A 17 107.343 112.803 -45.019 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.149 113.707 -43.530 1.00 0.00 H new ATOM 275 N LYS A 18 108.038 109.583 -41.120 1.00 0.00 N ATOM 276 CA LYS A 18 107.681 108.195 -40.880 1.00 0.00 C ATOM 277 C LYS A 18 107.237 107.966 -39.426 1.00 0.00 C ATOM 278 O LYS A 18 106.194 107.382 -39.165 1.00 0.00 O ATOM 279 CB LYS A 18 108.888 107.315 -41.192 1.00 0.00 C ATOM 280 CG LYS A 18 109.359 107.487 -42.631 1.00 0.00 C ATOM 281 CD LYS A 18 110.399 106.436 -43.007 1.00 0.00 C ATOM 282 CE LYS A 18 111.589 107.048 -43.747 1.00 0.00 C ATOM 283 NZ LYS A 18 112.726 107.297 -42.868 1.00 0.00 N ATOM 0 H LYS A 18 109.015 109.753 -41.361 1.00 0.00 H new ATOM 0 HA LYS A 18 106.842 107.937 -41.526 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.703 107.562 -40.511 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.631 106.270 -41.016 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.506 107.414 -43.306 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.783 108.483 -42.760 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.751 105.935 -42.105 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.935 105.674 -43.634 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.895 106.379 -44.551 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.281 107.985 -44.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 113.505 107.712 -43.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.445 107.956 -42.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 113.040 106.401 -42.444 1.00 0.00 H new ATOM 297 N THR A 19 108.077 108.469 -38.502 1.00 0.00 N ATOM 298 CA THR A 19 107.699 108.371 -37.100 1.00 0.00 C ATOM 299 C THR A 19 106.405 109.146 -36.770 1.00 0.00 C ATOM 300 O THR A 19 105.630 108.737 -35.915 1.00 0.00 O ATOM 301 CB THR A 19 108.868 108.841 -36.230 1.00 0.00 C ATOM 302 OG1 THR A 19 109.185 110.190 -36.492 1.00 0.00 O ATOM 303 CG2 THR A 19 110.099 107.949 -36.413 1.00 0.00 C ATOM 0 H THR A 19 108.971 108.921 -38.694 1.00 0.00 H new ATOM 0 HA THR A 19 107.478 107.326 -36.884 1.00 0.00 H new ATOM 0 HB THR A 19 108.552 108.761 -35.190 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.126 110.353 -36.273 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.909 108.312 -35.780 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.851 106.925 -36.133 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.414 107.974 -37.456 1.00 0.00 H new ATOM 311 N ALA A 20 106.216 110.278 -37.475 1.00 0.00 N ATOM 312 CA ALA A 20 104.990 111.032 -37.284 1.00 0.00 C ATOM 313 C ALA A 20 103.741 110.214 -37.669 1.00 0.00 C ATOM 314 O ALA A 20 102.764 110.182 -36.932 1.00 0.00 O ATOM 315 CB ALA A 20 105.066 112.299 -38.145 1.00 0.00 C ATOM 0 H ALA A 20 106.873 110.668 -38.151 1.00 0.00 H new ATOM 0 HA ALA A 20 104.896 111.283 -36.227 1.00 0.00 H new ATOM 0 HB1 ALA A 20 104.154 112.881 -38.017 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.924 112.897 -37.838 1.00 0.00 H new ATOM 0 HB3 ALA A 20 105.174 112.021 -39.193 1.00 0.00 H new ATOM 321 N THR A 21 103.817 109.556 -38.844 1.00 0.00 N ATOM 322 CA THR A 21 102.693 108.699 -39.218 1.00 0.00 C ATOM 323 C THR A 21 102.547 107.467 -38.298 1.00 0.00 C ATOM 324 O THR A 21 101.445 107.056 -37.956 1.00 0.00 O ATOM 325 CB THR A 21 102.779 108.317 -40.703 1.00 0.00 C ATOM 326 OG1 THR A 21 101.497 108.055 -41.231 1.00 0.00 O ATOM 327 CG2 THR A 21 103.743 107.166 -41.013 1.00 0.00 C ATOM 0 H THR A 21 104.592 109.599 -39.506 1.00 0.00 H new ATOM 0 HA THR A 21 101.779 109.275 -39.073 1.00 0.00 H new ATOM 0 HB THR A 21 103.205 109.189 -41.198 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.576 107.816 -42.178 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.738 106.966 -42.084 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.750 107.441 -40.700 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.427 106.272 -40.476 1.00 0.00 H new ATOM 335 N ILE A 22 103.713 106.908 -37.926 1.00 0.00 N ATOM 336 CA ILE A 22 103.719 105.670 -37.161 1.00 0.00 C ATOM 337 C ILE A 22 103.139 105.885 -35.752 1.00 0.00 C ATOM 338 O ILE A 22 102.253 105.165 -35.308 1.00 0.00 O ATOM 339 CB ILE A 22 105.162 105.170 -37.062 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.725 104.837 -38.448 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.316 104.010 -36.068 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.706 103.345 -38.787 1.00 0.00 C ATOM 0 H ILE A 22 104.635 107.289 -38.140 1.00 0.00 H new ATOM 0 HA ILE A 22 103.095 104.933 -37.666 1.00 0.00 H new ATOM 0 HB ILE A 22 105.761 105.985 -36.656 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.151 105.377 -39.201 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.751 105.200 -38.508 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.359 103.694 -36.037 1.00 0.00 H new ATOM 0 HG22 ILE A 22 105.006 104.338 -35.076 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.693 103.174 -36.385 1.00 0.00 H new ATOM 0 HD11 ILE A 22 106.121 103.193 -39.784 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.304 102.799 -38.058 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.680 102.979 -38.761 1.00 0.00 H new ATOM 354 N LEU A 23 103.695 106.919 -35.086 1.00 0.00 N ATOM 355 CA LEU A 23 103.121 107.362 -33.824 1.00 0.00 C ATOM 356 C LEU A 23 101.607 107.623 -33.940 1.00 0.00 C ATOM 357 O LEU A 23 100.849 107.304 -33.036 1.00 0.00 O ATOM 358 CB LEU A 23 103.855 108.633 -33.361 1.00 0.00 C ATOM 359 CG LEU A 23 103.102 109.479 -32.327 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.843 108.675 -31.054 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.866 110.770 -32.018 1.00 0.00 C ATOM 0 H LEU A 23 104.514 107.440 -35.398 1.00 0.00 H new ATOM 0 HA LEU A 23 103.249 106.569 -33.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.818 108.345 -32.940 1.00 0.00 H new ATOM 0 HB3 LEU A 23 104.062 109.253 -34.234 1.00 0.00 H new ATOM 0 HG LEU A 23 102.137 109.756 -32.751 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.308 109.295 -30.335 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.243 107.797 -31.294 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.793 108.358 -30.624 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.312 111.353 -31.282 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.850 110.524 -31.620 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.980 111.353 -32.932 1.00 0.00 H new ATOM 373 N ILE A 24 101.218 108.231 -35.077 1.00 0.00 N ATOM 374 CA ILE A 24 99.809 108.508 -35.276 1.00 0.00 C ATOM 375 C ILE A 24 98.982 107.216 -35.349 1.00 0.00 C ATOM 376 O ILE A 24 97.958 107.079 -34.692 1.00 0.00 O ATOM 377 CB ILE A 24 99.672 109.361 -36.532 1.00 0.00 C ATOM 378 CG1 ILE A 24 100.232 110.747 -36.231 1.00 0.00 C ATOM 379 CG2 ILE A 24 98.235 109.411 -37.062 1.00 0.00 C ATOM 380 CD1 ILE A 24 99.169 111.681 -35.656 1.00 0.00 C ATOM 0 H ILE A 24 101.838 108.523 -35.832 1.00 0.00 H new ATOM 0 HA ILE A 24 99.410 109.057 -34.423 1.00 0.00 H new ATOM 0 HB ILE A 24 100.246 108.905 -37.339 1.00 0.00 H new ATOM 0 HG12 ILE A 24 101.058 110.659 -35.525 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.639 111.180 -37.145 1.00 0.00 H new ATOM 0 HG21 ILE A 24 98.199 110.032 -37.957 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.902 108.402 -37.307 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.581 109.834 -36.300 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.612 112.657 -35.457 1.00 0.00 H new ATOM 0 HD12 ILE A 24 98.355 111.791 -36.373 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.780 111.262 -34.728 1.00 0.00 H new ATOM 392 N THR A 25 99.479 106.286 -36.185 1.00 0.00 N ATOM 393 CA THR A 25 98.701 105.084 -36.434 1.00 0.00 C ATOM 394 C THR A 25 98.421 104.309 -35.128 1.00 0.00 C ATOM 395 O THR A 25 97.307 103.859 -34.890 1.00 0.00 O ATOM 396 CB THR A 25 99.444 104.181 -37.433 1.00 0.00 C ATOM 397 OG1 THR A 25 100.225 104.919 -38.349 1.00 0.00 O ATOM 398 CG2 THR A 25 98.484 103.253 -38.180 1.00 0.00 C ATOM 0 H THR A 25 100.373 106.346 -36.673 1.00 0.00 H new ATOM 0 HA THR A 25 97.742 105.384 -36.855 1.00 0.00 H new ATOM 0 HB THR A 25 100.123 103.568 -36.840 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.987 105.320 -37.881 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.047 102.631 -38.876 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.963 102.617 -37.465 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.757 103.849 -38.732 1.00 0.00 H new ATOM 406 N ILE A 26 99.481 104.186 -34.302 1.00 0.00 N ATOM 407 CA ILE A 26 99.255 103.731 -32.937 1.00 0.00 C ATOM 408 C ILE A 26 98.312 104.675 -32.169 1.00 0.00 C ATOM 409 O ILE A 26 97.338 104.253 -31.559 1.00 0.00 O ATOM 410 CB ILE A 26 100.590 103.667 -32.189 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.637 102.810 -32.909 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.382 103.189 -30.751 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.027 103.436 -32.798 1.00 0.00 C ATOM 0 H ILE A 26 100.450 104.386 -34.549 1.00 0.00 H new ATOM 0 HA ILE A 26 98.793 102.745 -32.993 1.00 0.00 H new ATOM 0 HB ILE A 26 100.987 104.682 -32.167 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.650 101.808 -32.480 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.365 102.703 -33.959 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.343 103.151 -30.238 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.720 103.880 -30.230 1.00 0.00 H new ATOM 0 HG23 ILE A 26 99.935 102.195 -30.759 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.751 102.808 -33.317 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.017 104.428 -33.250 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.306 103.519 -31.748 1.00 0.00 H new ATOM 425 N ALA A 27 98.670 105.970 -32.248 1.00 0.00 N ATOM 426 CA ALA A 27 98.045 106.956 -31.368 1.00 0.00 C ATOM 427 C ALA A 27 96.506 106.906 -31.433 1.00 0.00 C ATOM 428 O ALA A 27 95.827 106.902 -30.413 1.00 0.00 O ATOM 429 CB ALA A 27 98.511 108.362 -31.751 1.00 0.00 C ATOM 0 H ALA A 27 99.367 106.343 -32.893 1.00 0.00 H new ATOM 0 HA ALA A 27 98.348 106.714 -30.349 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.042 109.093 -31.092 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.595 108.426 -31.651 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.229 108.570 -32.783 1.00 0.00 H new ATOM 435 N LYS A 28 96.002 106.869 -32.685 1.00 0.00 N ATOM 436 CA LYS A 28 94.574 106.690 -32.906 1.00 0.00 C ATOM 437 C LYS A 28 94.065 105.433 -32.184 1.00 0.00 C ATOM 438 O LYS A 28 93.196 105.487 -31.321 1.00 0.00 O ATOM 439 CB LYS A 28 94.288 106.611 -34.417 1.00 0.00 C ATOM 440 CG LYS A 28 93.562 107.858 -34.922 1.00 0.00 C ATOM 441 CD LYS A 28 94.206 109.143 -34.401 1.00 0.00 C ATOM 442 CE LYS A 28 93.291 109.892 -33.429 1.00 0.00 C ATOM 443 NZ LYS A 28 94.000 110.396 -32.260 1.00 0.00 N ATOM 0 H LYS A 28 96.560 106.960 -33.534 1.00 0.00 H new ATOM 0 HA LYS A 28 94.042 107.547 -32.493 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.226 106.492 -34.959 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.684 105.728 -34.627 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.568 107.865 -36.012 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.518 107.822 -34.609 1.00 0.00 H new ATOM 0 HD2 LYS A 28 95.144 108.901 -33.902 1.00 0.00 H new ATOM 0 HD3 LYS A 28 94.450 109.792 -35.242 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.820 110.726 -33.950 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.491 109.226 -33.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 93.318 110.600 -31.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 94.680 109.681 -31.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 94.509 111.267 -32.512 1.00 0.00 H new ATOM 457 N LYS A 29 94.672 104.309 -32.604 1.00 0.00 N ATOM 458 CA LYS A 29 94.104 103.016 -32.286 1.00 0.00 C ATOM 459 C LYS A 29 94.702 102.502 -30.969 1.00 0.00 C ATOM 460 O LYS A 29 95.900 102.282 -30.844 1.00 0.00 O ATOM 461 CB LYS A 29 94.423 102.027 -33.402 1.00 0.00 C ATOM 462 CG LYS A 29 93.731 100.695 -33.158 1.00 0.00 C ATOM 463 CD LYS A 29 93.946 99.741 -34.329 1.00 0.00 C ATOM 464 CE LYS A 29 92.780 99.770 -35.322 1.00 0.00 C ATOM 465 NZ LYS A 29 93.166 100.268 -36.638 1.00 0.00 N ATOM 0 H LYS A 29 95.533 104.282 -33.150 1.00 0.00 H new ATOM 0 HA LYS A 29 93.023 103.114 -32.184 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.104 102.438 -34.360 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.501 101.876 -33.463 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.115 100.245 -32.243 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.664 100.858 -33.009 1.00 0.00 H new ATOM 0 HD2 LYS A 29 94.868 100.006 -34.846 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.073 98.727 -33.950 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.372 98.764 -35.425 1.00 0.00 H new ATOM 0 HE3 LYS A 29 91.984 100.397 -34.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.316 100.553 -37.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.796 101.088 -36.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 93.662 99.518 -37.161 1.00 0.00 H new ATOM 479 N ASP A 30 93.779 102.331 -30.007 1.00 0.00 N ATOM 480 CA ASP A 30 94.153 101.885 -28.683 1.00 0.00 C ATOM 481 C ASP A 30 94.144 100.351 -28.632 1.00 0.00 C ATOM 482 O ASP A 30 93.100 99.712 -28.694 1.00 0.00 O ATOM 483 CB ASP A 30 93.150 102.438 -27.676 1.00 0.00 C ATOM 484 CG ASP A 30 93.276 103.961 -27.591 1.00 0.00 C ATOM 485 OD1 ASP A 30 93.042 104.627 -28.599 1.00 0.00 O ATOM 486 OD2 ASP A 30 93.607 104.463 -26.519 1.00 0.00 O ATOM 0 H ASP A 30 92.781 102.497 -30.134 1.00 0.00 H new ATOM 0 HA ASP A 30 95.154 102.242 -28.442 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.137 102.165 -27.972 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.326 101.995 -26.695 1.00 0.00 H new ATOM 491 N PHE A 31 95.371 99.815 -28.516 1.00 0.00 N ATOM 492 CA PHE A 31 95.599 98.423 -28.888 1.00 0.00 C ATOM 493 C PHE A 31 95.301 98.236 -30.385 1.00 0.00 C ATOM 494 O PHE A 31 94.469 97.431 -30.783 1.00 0.00 O ATOM 495 CB PHE A 31 94.741 97.438 -28.062 1.00 0.00 C ATOM 496 CG PHE A 31 94.796 97.588 -26.554 1.00 0.00 C ATOM 497 CD1 PHE A 31 95.853 98.280 -25.900 1.00 0.00 C ATOM 498 CD2 PHE A 31 93.757 97.031 -25.763 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.852 98.436 -24.492 1.00 0.00 C ATOM 500 CE2 PHE A 31 93.760 97.172 -24.354 1.00 0.00 C ATOM 501 CZ PHE A 31 94.808 97.879 -23.718 1.00 0.00 C ATOM 0 H PHE A 31 96.194 100.314 -28.177 1.00 0.00 H new ATOM 0 HA PHE A 31 96.644 98.198 -28.676 1.00 0.00 H new ATOM 0 HB2 PHE A 31 93.703 97.544 -28.377 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.049 96.423 -28.315 1.00 0.00 H new ATOM 0 HD1 PHE A 31 96.664 98.691 -26.483 1.00 0.00 H new ATOM 0 HD2 PHE A 31 92.953 96.492 -26.243 1.00 0.00 H new ATOM 0 HE1 PHE A 31 96.650 98.981 -24.009 1.00 0.00 H new ATOM 0 HE2 PHE A 31 92.964 96.741 -23.766 1.00 0.00 H new ATOM 0 HZ PHE A 31 94.810 97.993 -22.644 1.00 0.00 H new ATOM 511 N ILE A 32 96.045 99.039 -31.175 1.00 0.00 N ATOM 512 CA ILE A 32 96.742 98.561 -32.354 1.00 0.00 C ATOM 513 C ILE A 32 97.580 97.314 -32.024 1.00 0.00 C ATOM 514 O ILE A 32 97.389 96.658 -31.008 1.00 0.00 O ATOM 515 CB ILE A 32 97.578 99.725 -32.925 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.726 99.574 -34.434 1.00 0.00 C ATOM 517 CG2 ILE A 32 98.946 99.879 -32.252 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.004 100.913 -35.114 1.00 0.00 C ATOM 0 H ILE A 32 96.170 100.036 -31.000 1.00 0.00 H new ATOM 0 HA ILE A 32 96.035 98.242 -33.120 1.00 0.00 H new ATOM 0 HB ILE A 32 97.032 100.642 -32.705 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.538 98.880 -34.652 1.00 0.00 H new ATOM 0 HG13 ILE A 32 96.816 99.139 -34.847 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.481 100.716 -32.702 1.00 0.00 H new ATOM 0 HG22 ILE A 32 98.809 100.067 -31.187 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.523 98.964 -32.388 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.103 100.762 -36.189 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.179 101.599 -34.918 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.928 101.336 -34.721 1.00 0.00 H new ATOM 530 N THR A 33 98.514 97.030 -32.947 1.00 0.00 N ATOM 531 CA THR A 33 99.824 96.573 -32.510 1.00 0.00 C ATOM 532 C THR A 33 100.891 97.169 -33.436 1.00 0.00 C ATOM 533 O THR A 33 100.607 97.963 -34.325 1.00 0.00 O ATOM 534 CB THR A 33 99.872 95.036 -32.528 1.00 0.00 C ATOM 535 OG1 THR A 33 99.960 94.510 -33.834 1.00 0.00 O ATOM 536 CG2 THR A 33 98.685 94.410 -31.781 1.00 0.00 C ATOM 0 H THR A 33 98.387 97.107 -33.956 1.00 0.00 H new ATOM 0 HA THR A 33 100.017 96.903 -31.489 1.00 0.00 H new ATOM 0 HB THR A 33 100.787 94.766 -32.000 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.059 94.403 -34.205 1.00 0.00 H new ATOM 0 HG21 THR A 33 98.762 93.323 -31.821 1.00 0.00 H new ATOM 0 HG22 THR A 33 98.696 94.737 -30.741 1.00 0.00 H new ATOM 0 HG23 THR A 33 97.753 94.725 -32.250 1.00 0.00 H new ATOM 544 N ALA A 34 102.138 96.733 -33.177 1.00 0.00 N ATOM 545 CA ALA A 34 103.139 96.848 -34.234 1.00 0.00 C ATOM 546 C ALA A 34 102.678 96.209 -35.561 1.00 0.00 C ATOM 547 O ALA A 34 102.866 96.770 -36.633 1.00 0.00 O ATOM 548 CB ALA A 34 104.446 96.201 -33.771 1.00 0.00 C ATOM 0 H ALA A 34 102.457 96.323 -32.299 1.00 0.00 H new ATOM 0 HA ALA A 34 103.290 97.910 -34.427 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.194 96.286 -34.560 1.00 0.00 H new ATOM 0 HB2 ALA A 34 104.805 96.707 -32.875 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.272 95.148 -33.549 1.00 0.00 H new ATOM 554 N ALA A 35 102.063 95.018 -35.418 1.00 0.00 N ATOM 555 CA ALA A 35 101.584 94.283 -36.581 1.00 0.00 C ATOM 556 C ALA A 35 100.660 95.145 -37.463 1.00 0.00 C ATOM 557 O ALA A 35 100.839 95.233 -38.670 1.00 0.00 O ATOM 558 CB ALA A 35 100.868 93.000 -36.135 1.00 0.00 C ATOM 0 H ALA A 35 101.894 94.560 -34.522 1.00 0.00 H new ATOM 0 HA ALA A 35 102.449 94.015 -37.187 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.514 92.458 -37.012 1.00 0.00 H new ATOM 0 HB2 ALA A 35 101.561 92.372 -35.576 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.020 93.258 -35.501 1.00 0.00 H new ATOM 564 N GLU A 36 99.666 95.774 -36.804 1.00 0.00 N ATOM 565 CA GLU A 36 98.766 96.610 -37.582 1.00 0.00 C ATOM 566 C GLU A 36 99.506 97.784 -38.262 1.00 0.00 C ATOM 567 O GLU A 36 99.238 98.115 -39.410 1.00 0.00 O ATOM 568 CB GLU A 36 97.626 97.136 -36.701 1.00 0.00 C ATOM 569 CG GLU A 36 96.272 96.899 -37.361 1.00 0.00 C ATOM 570 CD GLU A 36 95.155 96.992 -36.320 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.293 96.390 -35.255 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.160 97.662 -36.586 1.00 0.00 O ATOM 0 H GLU A 36 99.482 95.720 -35.802 1.00 0.00 H new ATOM 0 HA GLU A 36 98.347 95.987 -38.372 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.653 96.641 -35.730 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.764 98.202 -36.519 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.109 97.636 -38.148 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.257 95.918 -37.835 1.00 0.00 H new ATOM 579 N VAL A 37 100.436 98.391 -37.497 1.00 0.00 N ATOM 580 CA VAL A 37 101.208 99.479 -38.079 1.00 0.00 C ATOM 581 C VAL A 37 102.008 99.023 -39.322 1.00 0.00 C ATOM 582 O VAL A 37 102.098 99.749 -40.304 1.00 0.00 O ATOM 583 CB VAL A 37 102.137 100.078 -37.021 1.00 0.00 C ATOM 584 CG1 VAL A 37 102.989 101.197 -37.622 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.359 100.595 -35.805 1.00 0.00 C ATOM 0 H VAL A 37 100.655 98.156 -36.529 1.00 0.00 H new ATOM 0 HA VAL A 37 100.510 100.244 -38.417 1.00 0.00 H new ATOM 0 HB VAL A 37 102.794 99.279 -36.677 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.643 101.610 -36.853 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.594 100.797 -38.436 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.339 101.983 -38.006 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.056 101.012 -35.078 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.660 101.368 -36.122 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.808 99.772 -35.349 1.00 0.00 H new ATOM 595 N ARG A 38 102.596 97.809 -39.239 1.00 0.00 N ATOM 596 CA ARG A 38 103.062 97.172 -40.464 1.00 0.00 C ATOM 597 C ARG A 38 101.953 97.059 -41.535 1.00 0.00 C ATOM 598 O ARG A 38 102.165 97.338 -42.708 1.00 0.00 O ATOM 599 CB ARG A 38 103.607 95.784 -40.145 1.00 0.00 C ATOM 600 CG ARG A 38 104.729 95.816 -39.107 1.00 0.00 C ATOM 601 CD ARG A 38 105.709 94.658 -39.299 1.00 0.00 C ATOM 602 NE ARG A 38 105.259 93.492 -38.561 1.00 0.00 N ATOM 603 CZ ARG A 38 105.816 92.301 -38.848 1.00 0.00 C ATOM 604 NH1 ARG A 38 105.664 91.771 -40.058 1.00 0.00 N ATOM 605 NH2 ARG A 38 106.516 91.654 -37.922 1.00 0.00 N ATOM 0 H ARG A 38 102.749 97.283 -38.379 1.00 0.00 H new ATOM 0 HA ARG A 38 103.848 97.804 -40.877 1.00 0.00 H new ATOM 0 HB2 ARG A 38 102.796 95.155 -39.778 1.00 0.00 H new ATOM 0 HB3 ARG A 38 103.978 95.324 -41.061 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.265 96.762 -39.179 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.300 95.768 -38.106 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.794 94.416 -40.358 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.702 94.952 -38.958 1.00 0.00 H new ATOM 0 HE ARG A 38 104.539 93.573 -37.843 1.00 0.00 H new ATOM 0 HH11 ARG A 38 105.125 92.267 -40.768 1.00 0.00 H new ATOM 0 HH12 ARG A 38 106.086 90.868 -40.276 1.00 0.00 H new ATOM 0 HH21 ARG A 38 106.631 92.060 -36.993 1.00 0.00 H new ATOM 0 HH22 ARG A 38 106.938 90.751 -38.140 1.00 0.00 H new ATOM 619 N GLU A 39 100.768 96.629 -41.060 1.00 0.00 N ATOM 620 CA GLU A 39 99.743 96.147 -41.976 1.00 0.00 C ATOM 621 C GLU A 39 99.120 97.285 -42.803 1.00 0.00 C ATOM 622 O GLU A 39 98.872 97.139 -43.994 1.00 0.00 O ATOM 623 CB GLU A 39 98.645 95.446 -41.183 1.00 0.00 C ATOM 624 CG GLU A 39 99.168 94.186 -40.495 1.00 0.00 C ATOM 625 CD GLU A 39 98.573 92.916 -41.112 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.541 92.818 -42.337 1.00 0.00 O ATOM 627 OE2 GLU A 39 98.149 92.041 -40.359 1.00 0.00 O ATOM 0 H GLU A 39 100.511 96.609 -40.073 1.00 0.00 H new ATOM 0 HA GLU A 39 100.221 95.454 -42.669 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.242 96.129 -40.435 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.824 95.183 -41.850 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.255 94.154 -40.572 1.00 0.00 H new ATOM 0 HG3 GLU A 39 98.925 94.223 -39.433 1.00 0.00 H new ATOM 719 N ASN A 46 108.469 98.353 -44.327 1.00 0.00 N ATOM 720 CA ASN A 46 108.650 97.320 -43.313 1.00 0.00 C ATOM 721 C ASN A 46 109.804 97.650 -42.344 1.00 0.00 C ATOM 722 O ASN A 46 109.653 97.602 -41.130 1.00 0.00 O ATOM 723 CB ASN A 46 108.954 95.991 -44.002 1.00 0.00 C ATOM 724 CG ASN A 46 108.510 94.828 -43.112 1.00 0.00 C ATOM 725 OD1 ASN A 46 109.127 94.820 -41.917 1.00 0.00 O flip ATOM 726 ND2 ASN A 46 107.676 94.009 -43.483 1.00 0.00 N flip ATOM 0 HA ASN A 46 107.729 97.262 -42.733 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.439 95.943 -44.961 1.00 0.00 H new ATOM 0 HB3 ASN A 46 110.021 95.915 -44.209 1.00 0.00 H new ATOM 0 HD21 ASN A 46 107.257 94.091 -44.409 1.00 0.00 H new ATOM 0 HD22 ASN A 46 107.401 93.245 -42.865 1.00 0.00 H new ATOM 733 N ALA A 47 110.954 97.984 -42.960 1.00 0.00 N ATOM 734 CA ALA A 47 112.137 98.222 -42.148 1.00 0.00 C ATOM 735 C ALA A 47 111.984 99.481 -41.275 1.00 0.00 C ATOM 736 O ALA A 47 112.284 99.472 -40.087 1.00 0.00 O ATOM 737 CB ALA A 47 113.356 98.364 -43.060 1.00 0.00 C ATOM 0 H ALA A 47 111.078 98.089 -43.967 1.00 0.00 H new ATOM 0 HA ALA A 47 112.268 97.372 -41.479 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.245 98.543 -42.454 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.488 97.448 -43.637 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.206 99.203 -43.740 1.00 0.00 H new ATOM 743 N VAL A 48 111.497 100.557 -41.927 1.00 0.00 N ATOM 744 CA VAL A 48 111.383 101.797 -41.173 1.00 0.00 C ATOM 745 C VAL A 48 110.350 101.670 -40.038 1.00 0.00 C ATOM 746 O VAL A 48 110.578 102.129 -38.928 1.00 0.00 O ATOM 747 CB VAL A 48 111.027 102.972 -42.091 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.987 103.062 -43.278 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.580 102.900 -42.574 1.00 0.00 C ATOM 0 H VAL A 48 111.199 100.588 -42.902 1.00 0.00 H new ATOM 0 HA VAL A 48 112.357 101.995 -40.725 1.00 0.00 H new ATOM 0 HB VAL A 48 111.132 103.880 -41.497 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.707 103.905 -43.909 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.004 103.204 -42.913 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.935 102.141 -43.859 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.370 103.751 -43.222 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.428 101.975 -43.130 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.908 102.922 -41.716 1.00 0.00 H new ATOM 759 N VAL A 49 109.216 101.029 -40.380 1.00 0.00 N ATOM 760 CA VAL A 49 108.107 100.951 -39.441 1.00 0.00 C ATOM 761 C VAL A 49 108.506 100.260 -38.121 1.00 0.00 C ATOM 762 O VAL A 49 108.118 100.693 -37.042 1.00 0.00 O ATOM 763 CB VAL A 49 106.937 100.233 -40.123 1.00 0.00 C ATOM 764 CG1 VAL A 49 105.816 99.885 -39.144 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.394 101.095 -41.256 1.00 0.00 C ATOM 0 H VAL A 49 109.056 100.572 -41.278 1.00 0.00 H new ATOM 0 HA VAL A 49 107.805 101.962 -39.166 1.00 0.00 H new ATOM 0 HB VAL A 49 107.318 99.293 -40.522 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.012 99.378 -39.677 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.204 99.230 -38.364 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.432 100.799 -38.691 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.563 100.581 -41.738 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.048 102.048 -40.855 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.183 101.274 -41.987 1.00 0.00 H new ATOM 775 N ASN A 50 109.293 99.175 -38.261 1.00 0.00 N ATOM 776 CA ASN A 50 109.898 98.584 -37.073 1.00 0.00 C ATOM 777 C ASN A 50 110.692 99.621 -36.249 1.00 0.00 C ATOM 778 O ASN A 50 110.554 99.711 -35.034 1.00 0.00 O ATOM 779 CB ASN A 50 110.836 97.446 -37.493 1.00 0.00 C ATOM 780 CG ASN A 50 110.815 96.337 -36.440 1.00 0.00 C ATOM 781 OD1 ASN A 50 110.430 96.538 -35.295 1.00 0.00 O ATOM 782 ND2 ASN A 50 111.255 95.157 -36.911 1.00 0.00 N ATOM 0 H ASN A 50 109.512 98.715 -39.145 1.00 0.00 H new ATOM 0 HA ASN A 50 109.092 98.205 -36.444 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.528 97.047 -38.460 1.00 0.00 H new ATOM 0 HB3 ASN A 50 111.851 97.825 -37.614 1.00 0.00 H new ATOM 0 HD21 ASN A 50 111.285 94.342 -36.298 1.00 0.00 H new ATOM 0 HD22 ASN A 50 111.558 95.076 -37.882 1.00 0.00 H new ATOM 789 N SER A 51 111.518 100.393 -36.982 1.00 0.00 N ATOM 790 CA SER A 51 112.304 101.413 -36.305 1.00 0.00 C ATOM 791 C SER A 51 111.425 102.496 -35.641 1.00 0.00 C ATOM 792 O SER A 51 111.687 102.913 -34.520 1.00 0.00 O ATOM 793 CB SER A 51 113.273 102.059 -37.309 1.00 0.00 C ATOM 794 OG SER A 51 113.812 103.311 -36.907 1.00 0.00 O ATOM 0 H SER A 51 111.648 100.329 -37.992 1.00 0.00 H new ATOM 0 HA SER A 51 112.861 100.925 -35.505 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.096 101.368 -37.491 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.753 102.193 -38.258 1.00 0.00 H new ATOM 0 HG SER A 51 114.416 103.646 -37.602 1.00 0.00 H new ATOM 800 N ASN A 52 110.388 102.932 -36.385 1.00 0.00 N ATOM 801 CA ASN A 52 109.626 104.111 -36.000 1.00 0.00 C ATOM 802 C ASN A 52 108.789 103.913 -34.716 1.00 0.00 C ATOM 803 O ASN A 52 108.635 104.814 -33.901 1.00 0.00 O ATOM 804 CB ASN A 52 108.673 104.452 -37.138 1.00 0.00 C ATOM 805 CG ASN A 52 109.441 104.816 -38.417 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.944 104.230 -39.521 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.411 105.565 -38.396 1.00 0.00 N flip ATOM 0 H ASN A 52 110.071 102.483 -37.244 1.00 0.00 H new ATOM 0 HA ASN A 52 110.343 104.907 -35.798 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.018 103.603 -37.334 1.00 0.00 H new ATOM 0 HB3 ASN A 52 108.035 105.286 -36.844 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.724 105.969 -37.513 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.905 105.784 -39.261 1.00 0.00 H new ATOM 814 N ILE A 53 108.216 102.705 -34.607 1.00 0.00 N ATOM 815 CA ILE A 53 107.512 102.365 -33.387 1.00 0.00 C ATOM 816 C ILE A 53 108.479 102.248 -32.192 1.00 0.00 C ATOM 817 O ILE A 53 108.245 102.799 -31.124 1.00 0.00 O ATOM 818 CB ILE A 53 106.777 101.041 -33.584 1.00 0.00 C ATOM 819 CG1 ILE A 53 105.857 101.052 -34.809 1.00 0.00 C ATOM 820 CG2 ILE A 53 105.972 100.685 -32.339 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.508 99.632 -35.238 1.00 0.00 C ATOM 0 H ILE A 53 108.230 101.980 -35.325 1.00 0.00 H new ATOM 0 HA ILE A 53 106.801 103.162 -33.167 1.00 0.00 H new ATOM 0 HB ILE A 53 107.542 100.284 -33.756 1.00 0.00 H new ATOM 0 HG12 ILE A 53 104.944 101.602 -34.579 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.345 101.575 -35.631 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.455 99.739 -32.498 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.644 100.593 -31.486 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.241 101.469 -32.142 1.00 0.00 H new ATOM 0 HD11 ILE A 53 104.854 99.666 -36.109 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.421 99.093 -35.490 1.00 0.00 H new ATOM 0 HD13 ILE A 53 104.999 99.120 -34.422 1.00 0.00 H new ATOM 833 N GLY A 54 109.561 101.485 -32.431 1.00 0.00 N ATOM 834 CA GLY A 54 110.559 101.330 -31.389 1.00 0.00 C ATOM 835 C GLY A 54 111.177 102.659 -30.927 1.00 0.00 C ATOM 836 O GLY A 54 111.401 102.875 -29.745 1.00 0.00 O ATOM 0 H GLY A 54 109.752 100.990 -33.302 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.104 100.833 -30.532 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.352 100.676 -31.752 1.00 0.00 H new ATOM 840 N VAL A 55 111.458 103.520 -31.917 1.00 0.00 N ATOM 841 CA VAL A 55 112.129 104.769 -31.589 1.00 0.00 C ATOM 842 C VAL A 55 111.233 105.725 -30.763 1.00 0.00 C ATOM 843 O VAL A 55 111.710 106.439 -29.889 1.00 0.00 O ATOM 844 CB VAL A 55 112.633 105.426 -32.874 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.486 106.051 -33.644 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.728 106.448 -32.589 1.00 0.00 C ATOM 0 H VAL A 55 111.240 103.379 -32.903 1.00 0.00 H new ATOM 0 HA VAL A 55 112.982 104.542 -30.949 1.00 0.00 H new ATOM 0 HB VAL A 55 113.073 104.646 -33.495 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.868 106.513 -34.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.760 105.281 -33.905 1.00 0.00 H new ATOM 0 HG13 VAL A 55 111.004 106.810 -33.027 1.00 0.00 H new ATOM 0 HG21 VAL A 55 114.062 106.894 -33.526 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.337 107.227 -31.935 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.569 105.954 -32.103 1.00 0.00 H new ATOM 856 N LEU A 56 109.920 105.707 -31.083 1.00 0.00 N ATOM 857 CA LEU A 56 108.946 106.254 -30.143 1.00 0.00 C ATOM 858 C LEU A 56 109.076 105.595 -28.751 1.00 0.00 C ATOM 859 O LEU A 56 109.134 106.266 -27.730 1.00 0.00 O ATOM 860 CB LEU A 56 107.557 105.944 -30.711 1.00 0.00 C ATOM 861 CG LEU A 56 107.060 106.945 -31.760 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.184 107.632 -32.534 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.142 106.231 -32.743 1.00 0.00 C ATOM 0 H LEU A 56 109.532 105.334 -31.950 1.00 0.00 H new ATOM 0 HA LEU A 56 109.112 107.324 -30.021 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.574 104.949 -31.156 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.841 105.913 -29.889 1.00 0.00 H new ATOM 0 HG LEU A 56 106.529 107.726 -31.216 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.756 108.326 -33.258 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.822 108.179 -31.840 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.777 106.882 -33.057 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.787 106.941 -33.490 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.691 105.429 -33.236 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.290 105.812 -32.207 1.00 0.00 H new ATOM 875 N ILE A 57 109.146 104.250 -28.769 1.00 0.00 N ATOM 876 CA ILE A 57 109.154 103.544 -27.496 1.00 0.00 C ATOM 877 C ILE A 57 110.384 103.907 -26.634 1.00 0.00 C ATOM 878 O ILE A 57 110.279 104.102 -25.429 1.00 0.00 O ATOM 879 CB ILE A 57 109.111 102.035 -27.751 1.00 0.00 C ATOM 880 CG1 ILE A 57 107.877 101.650 -28.583 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.226 101.253 -26.437 1.00 0.00 C ATOM 882 CD1 ILE A 57 106.833 100.815 -27.840 1.00 0.00 C ATOM 0 H ILE A 57 109.195 103.667 -29.605 1.00 0.00 H new ATOM 0 HA ILE A 57 108.271 103.852 -26.936 1.00 0.00 H new ATOM 0 HB ILE A 57 109.979 101.756 -28.349 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.401 102.562 -28.944 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.208 101.094 -29.460 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.193 100.184 -26.646 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.169 101.498 -25.949 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.398 101.520 -25.781 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.001 100.594 -28.509 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.286 99.883 -27.503 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.467 101.373 -26.978 1.00 0.00 H new ATOM 894 N LYS A 58 111.540 103.984 -27.320 1.00 0.00 N ATOM 895 CA LYS A 58 112.794 104.224 -26.619 1.00 0.00 C ATOM 896 C LYS A 58 112.875 105.654 -26.028 1.00 0.00 C ATOM 897 O LYS A 58 113.562 105.893 -25.042 1.00 0.00 O ATOM 898 CB LYS A 58 113.959 103.920 -27.564 1.00 0.00 C ATOM 899 CG LYS A 58 114.354 105.085 -28.464 1.00 0.00 C ATOM 900 CD LYS A 58 115.601 104.725 -29.260 1.00 0.00 C ATOM 901 CE LYS A 58 116.086 105.879 -30.136 1.00 0.00 C ATOM 902 NZ LYS A 58 116.852 105.419 -31.289 1.00 0.00 N ATOM 0 H LYS A 58 111.622 103.885 -28.332 1.00 0.00 H new ATOM 0 HA LYS A 58 112.851 103.554 -25.761 1.00 0.00 H new ATOM 0 HB2 LYS A 58 114.825 103.623 -26.972 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.693 103.067 -28.188 1.00 0.00 H new ATOM 0 HG2 LYS A 58 113.536 105.325 -29.143 1.00 0.00 H new ATOM 0 HG3 LYS A 58 114.540 105.974 -27.862 1.00 0.00 H new ATOM 0 HD2 LYS A 58 116.396 104.435 -28.573 1.00 0.00 H new ATOM 0 HD3 LYS A 58 115.391 103.859 -29.888 1.00 0.00 H new ATOM 0 HE2 LYS A 58 115.228 106.456 -30.480 1.00 0.00 H new ATOM 0 HE3 LYS A 58 116.702 106.551 -29.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 117.057 106.225 -31.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 117.745 104.996 -30.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 116.301 104.708 -31.811 1.00 0.00 H new ATOM 916 N LYS A 59 112.139 106.574 -26.685 1.00 0.00 N ATOM 917 CA LYS A 59 111.925 107.889 -26.113 1.00 0.00 C ATOM 918 C LYS A 59 110.928 107.819 -24.940 1.00 0.00 C ATOM 919 O LYS A 59 111.174 108.344 -23.861 1.00 0.00 O ATOM 920 CB LYS A 59 111.346 108.782 -27.208 1.00 0.00 C ATOM 921 CG LYS A 59 112.320 109.017 -28.364 1.00 0.00 C ATOM 922 CD LYS A 59 111.600 109.571 -29.594 1.00 0.00 C ATOM 923 CE LYS A 59 112.555 110.310 -30.532 1.00 0.00 C ATOM 924 NZ LYS A 59 113.635 109.455 -31.008 1.00 0.00 N ATOM 0 H LYS A 59 111.698 106.422 -27.592 1.00 0.00 H new ATOM 0 HA LYS A 59 112.869 108.284 -25.737 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.434 108.328 -27.595 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.065 109.742 -26.776 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.098 109.714 -28.051 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.815 108.081 -28.621 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.122 108.753 -30.134 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.808 110.249 -29.276 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.997 110.695 -31.385 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.978 111.170 -30.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.549 109.921 -30.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.608 108.547 -30.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.520 109.285 -32.028 1.00 0.00 H new ATOM 938 N GLY A 60 109.794 107.144 -25.219 1.00 0.00 N ATOM 939 CA GLY A 60 108.514 107.788 -25.070 1.00 0.00 C ATOM 940 C GLY A 60 108.348 108.809 -26.193 1.00 0.00 C ATOM 941 O GLY A 60 108.869 109.915 -26.138 1.00 0.00 O ATOM 0 H GLY A 60 109.758 106.177 -25.540 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.713 107.050 -25.108 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.449 108.279 -24.099 1.00 0.00 H new ATOM 945 N LEU A 61 107.593 108.350 -27.206 1.00 0.00 N ATOM 946 CA LEU A 61 106.181 108.138 -27.009 1.00 0.00 C ATOM 947 C LEU A 61 105.712 107.173 -28.091 1.00 0.00 C ATOM 948 O LEU A 61 105.418 107.546 -29.219 1.00 0.00 O ATOM 949 CB LEU A 61 105.489 109.483 -27.240 1.00 0.00 C ATOM 950 CG LEU A 61 105.993 110.289 -28.456 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.940 111.302 -28.871 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.309 111.014 -28.192 1.00 0.00 C ATOM 0 H LEU A 61 107.941 108.129 -28.139 1.00 0.00 H new ATOM 0 HA LEU A 61 105.962 107.747 -26.015 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.420 109.306 -27.361 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.612 110.093 -26.345 1.00 0.00 H new ATOM 0 HG LEU A 61 106.175 109.569 -29.254 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.299 111.869 -29.730 1.00 0.00 H new ATOM 0 HD12 LEU A 61 104.020 110.782 -29.139 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.744 111.983 -28.043 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.608 111.562 -29.086 1.00 0.00 H new ATOM 0 HD22 LEU A 61 107.180 111.712 -27.365 1.00 0.00 H new ATOM 0 HD23 LEU A 61 108.080 110.287 -27.937 1.00 0.00 H new ATOM 964 N VAL A 62 105.639 105.905 -27.672 1.00 0.00 N ATOM 965 CA VAL A 62 104.447 105.151 -27.374 1.00 0.00 C ATOM 966 C VAL A 62 104.787 104.167 -26.244 1.00 0.00 C ATOM 967 O VAL A 62 105.921 103.722 -26.113 1.00 0.00 O ATOM 968 CB VAL A 62 104.007 104.417 -28.636 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.070 103.428 -29.099 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.662 103.722 -28.444 1.00 0.00 C ATOM 0 H VAL A 62 106.482 105.350 -27.526 1.00 0.00 H new ATOM 0 HA VAL A 62 103.629 105.796 -27.052 1.00 0.00 H new ATOM 0 HB VAL A 62 103.881 105.166 -29.417 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.727 102.921 -30.001 1.00 0.00 H new ATOM 0 HG12 VAL A 62 105.995 103.962 -29.313 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.249 102.693 -28.315 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.382 103.210 -29.365 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.740 102.996 -27.635 1.00 0.00 H new ATOM 0 HG23 VAL A 62 101.902 104.463 -28.195 1.00 0.00 H new ATOM 980 N GLU A 63 103.755 103.851 -25.442 1.00 0.00 N ATOM 981 CA GLU A 63 103.900 102.759 -24.485 1.00 0.00 C ATOM 982 C GLU A 63 103.156 101.512 -24.992 1.00 0.00 C ATOM 983 O GLU A 63 101.979 101.547 -25.322 1.00 0.00 O ATOM 984 CB GLU A 63 103.332 103.173 -23.128 1.00 0.00 C ATOM 985 CG GLU A 63 104.344 103.962 -22.298 1.00 0.00 C ATOM 986 CD GLU A 63 103.634 104.690 -21.153 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.652 104.158 -20.637 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.073 105.780 -20.789 1.00 0.00 O ATOM 0 H GLU A 63 102.849 104.319 -25.440 1.00 0.00 H new ATOM 0 HA GLU A 63 104.960 102.528 -24.377 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.438 103.778 -23.279 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.026 102.284 -22.577 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.101 103.288 -21.897 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.862 104.682 -22.931 1.00 0.00 H new ATOM 995 N LYS A 64 103.913 100.402 -25.016 1.00 0.00 N ATOM 996 CA LYS A 64 103.309 99.155 -25.428 1.00 0.00 C ATOM 997 C LYS A 64 102.536 98.551 -24.250 1.00 0.00 C ATOM 998 O LYS A 64 103.066 98.324 -23.169 1.00 0.00 O ATOM 999 CB LYS A 64 104.401 98.200 -25.906 1.00 0.00 C ATOM 1000 CG LYS A 64 103.833 96.803 -26.174 1.00 0.00 C ATOM 1001 CD LYS A 64 104.715 95.896 -27.041 1.00 0.00 C ATOM 1002 CE LYS A 64 106.019 96.539 -27.526 1.00 0.00 C ATOM 1003 NZ LYS A 64 106.961 95.555 -28.047 1.00 0.00 N ATOM 0 H LYS A 64 104.900 100.354 -24.764 1.00 0.00 H new ATOM 0 HA LYS A 64 102.613 99.328 -26.248 1.00 0.00 H new ATOM 0 HB2 LYS A 64 104.858 98.591 -26.815 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.188 98.138 -25.155 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.660 96.309 -25.218 1.00 0.00 H new ATOM 0 HG3 LYS A 64 102.862 96.909 -26.658 1.00 0.00 H new ATOM 0 HD2 LYS A 64 104.959 94.999 -26.472 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.139 95.576 -27.910 1.00 0.00 H new ATOM 0 HE2 LYS A 64 105.794 97.270 -28.303 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.482 97.082 -26.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.827 96.037 -28.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 107.198 94.871 -27.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 106.531 95.054 -28.851 1.00 0.00 H new ATOM 1017 N SER A 65 101.245 98.313 -24.552 1.00 0.00 N ATOM 1018 CA SER A 65 100.366 97.658 -23.594 1.00 0.00 C ATOM 1019 C SER A 65 99.883 96.330 -24.183 1.00 0.00 C ATOM 1020 O SER A 65 99.046 96.298 -25.074 1.00 0.00 O ATOM 1021 CB SER A 65 99.136 98.554 -23.367 1.00 0.00 C ATOM 1022 OG SER A 65 98.099 97.983 -22.576 1.00 0.00 O ATOM 0 H SER A 65 100.804 98.563 -25.437 1.00 0.00 H new ATOM 0 HA SER A 65 100.900 97.486 -22.659 1.00 0.00 H new ATOM 0 HB2 SER A 65 99.464 99.478 -22.892 1.00 0.00 H new ATOM 0 HB3 SER A 65 98.721 98.825 -24.338 1.00 0.00 H new ATOM 0 HG SER A 65 97.353 97.720 -23.155 1.00 0.00 H new ATOM 1028 N GLY A 66 100.448 95.240 -23.626 1.00 0.00 N ATOM 1029 CA GLY A 66 100.826 94.140 -24.498 1.00 0.00 C ATOM 1030 C GLY A 66 99.680 93.138 -24.626 1.00 0.00 C ATOM 1031 O GLY A 66 99.486 92.269 -23.785 1.00 0.00 O ATOM 0 H GLY A 66 100.639 95.110 -22.633 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.092 94.524 -25.483 1.00 0.00 H new ATOM 0 HA3 GLY A 66 101.710 93.641 -24.101 1.00 0.00 H new ATOM 1035 N ASP A 67 98.938 93.319 -25.734 1.00 0.00 N ATOM 1036 CA ASP A 67 99.497 93.057 -27.056 1.00 0.00 C ATOM 1037 C ASP A 67 100.009 94.343 -27.737 1.00 0.00 C ATOM 1038 O ASP A 67 101.075 94.356 -28.342 1.00 0.00 O ATOM 1039 CB ASP A 67 98.432 92.397 -27.932 1.00 0.00 C ATOM 1040 CG ASP A 67 98.092 91.010 -27.385 1.00 0.00 C ATOM 1041 OD1 ASP A 67 98.872 90.084 -27.604 1.00 0.00 O ATOM 1042 OD2 ASP A 67 97.051 90.870 -26.744 1.00 0.00 O ATOM 0 H ASP A 67 97.970 93.639 -25.734 1.00 0.00 H new ATOM 0 HA ASP A 67 100.352 92.392 -26.932 1.00 0.00 H new ATOM 0 HB2 ASP A 67 97.536 93.017 -27.958 1.00 0.00 H new ATOM 0 HB3 ASP A 67 98.793 92.314 -28.957 1.00 0.00 H new ATOM 1047 N GLY A 68 99.197 95.414 -27.605 1.00 0.00 N ATOM 1048 CA GLY A 68 99.136 96.441 -28.622 1.00 0.00 C ATOM 1049 C GLY A 68 99.726 97.736 -28.077 1.00 0.00 C ATOM 1050 O GLY A 68 99.861 97.934 -26.876 1.00 0.00 O ATOM 0 H GLY A 68 98.586 95.573 -26.804 1.00 0.00 H new ATOM 0 HA2 GLY A 68 99.686 96.123 -29.507 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.103 96.601 -28.930 1.00 0.00 H new ATOM 1054 N LEU A 69 100.065 98.601 -29.048 1.00 0.00 N ATOM 1055 CA LEU A 69 100.873 99.757 -28.731 1.00 0.00 C ATOM 1056 C LEU A 69 99.935 100.942 -28.540 1.00 0.00 C ATOM 1057 O LEU A 69 98.985 101.128 -29.289 1.00 0.00 O ATOM 1058 CB LEU A 69 101.864 99.997 -29.874 1.00 0.00 C ATOM 1059 CG LEU A 69 102.738 98.768 -30.168 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.078 99.188 -30.767 1.00 0.00 C ATOM 1061 CD2 LEU A 69 102.978 97.869 -28.953 1.00 0.00 C ATOM 0 H LEU A 69 99.794 98.514 -30.028 1.00 0.00 H new ATOM 0 HA LEU A 69 101.447 99.610 -27.816 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.314 100.271 -30.775 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.505 100.842 -29.622 1.00 0.00 H new ATOM 0 HG LEU A 69 102.173 98.176 -30.888 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.681 98.302 -30.967 1.00 0.00 H new ATOM 0 HD12 LEU A 69 103.907 99.729 -31.698 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.604 99.834 -30.064 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.603 97.024 -29.243 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.479 98.440 -28.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.023 97.501 -28.578 1.00 0.00 H new ATOM 1073 N ILE A 70 100.246 101.722 -27.486 1.00 0.00 N ATOM 1074 CA ILE A 70 99.378 102.855 -27.225 1.00 0.00 C ATOM 1075 C ILE A 70 100.159 103.961 -26.532 1.00 0.00 C ATOM 1076 O ILE A 70 101.091 103.727 -25.777 1.00 0.00 O ATOM 1077 CB ILE A 70 98.226 102.442 -26.315 1.00 0.00 C ATOM 1078 CG1 ILE A 70 98.716 101.832 -25.007 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.302 101.459 -27.015 1.00 0.00 C ATOM 1080 CD1 ILE A 70 97.635 101.925 -23.931 1.00 0.00 C ATOM 0 H ILE A 70 101.034 101.594 -26.851 1.00 0.00 H new ATOM 0 HA ILE A 70 98.988 103.210 -28.179 1.00 0.00 H new ATOM 0 HB ILE A 70 97.675 103.353 -26.081 1.00 0.00 H new ATOM 0 HG12 ILE A 70 98.989 100.789 -25.166 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.615 102.350 -24.672 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.490 101.182 -26.343 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.889 101.922 -27.911 1.00 0.00 H new ATOM 0 HG23 ILE A 70 97.863 100.567 -27.293 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.004 101.484 -23.005 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.382 102.971 -23.759 1.00 0.00 H new ATOM 0 HD13 ILE A 70 96.747 101.386 -24.260 1.00 0.00 H new ATOM 1092 N ILE A 71 99.705 105.188 -26.821 1.00 0.00 N ATOM 1093 CA ILE A 71 100.630 106.291 -26.695 1.00 0.00 C ATOM 1094 C ILE A 71 100.512 106.917 -25.306 1.00 0.00 C ATOM 1095 O ILE A 71 99.507 106.799 -24.615 1.00 0.00 O ATOM 1096 CB ILE A 71 100.354 107.304 -27.796 1.00 0.00 C ATOM 1097 CG1 ILE A 71 98.955 107.911 -27.628 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.570 106.649 -29.166 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.624 109.000 -28.649 1.00 0.00 C ATOM 0 H ILE A 71 98.760 105.422 -27.125 1.00 0.00 H new ATOM 0 HA ILE A 71 101.654 105.935 -26.807 1.00 0.00 H new ATOM 0 HB ILE A 71 101.056 108.135 -27.725 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.213 107.116 -27.706 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.869 108.329 -26.625 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.372 107.377 -29.953 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.600 106.301 -29.245 1.00 0.00 H new ATOM 0 HG23 ILE A 71 99.892 105.803 -29.276 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.619 109.379 -28.464 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.342 109.815 -28.557 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.675 108.583 -29.655 1.00 0.00 H new ATOM 1111 N THR A 72 101.623 107.585 -24.965 1.00 0.00 N ATOM 1112 CA THR A 72 101.709 108.269 -23.693 1.00 0.00 C ATOM 1113 C THR A 72 100.933 109.588 -23.776 1.00 0.00 C ATOM 1114 O THR A 72 100.411 109.971 -24.817 1.00 0.00 O ATOM 1115 CB THR A 72 103.181 108.586 -23.394 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.622 109.699 -24.141 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.130 107.404 -23.627 1.00 0.00 C ATOM 0 H THR A 72 102.455 107.659 -25.550 1.00 0.00 H new ATOM 0 HA THR A 72 101.292 107.638 -22.909 1.00 0.00 H new ATOM 0 HB THR A 72 103.215 108.815 -22.329 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.534 109.538 -24.461 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.151 107.706 -23.394 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.842 106.573 -22.983 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.073 107.091 -24.670 1.00 0.00 H new ATOM 1125 N GLY A 73 100.898 110.254 -22.608 1.00 0.00 N ATOM 1126 CA GLY A 73 100.500 111.655 -22.618 1.00 0.00 C ATOM 1127 C GLY A 73 101.311 112.517 -23.611 1.00 0.00 C ATOM 1128 O GLY A 73 100.761 113.393 -24.268 1.00 0.00 O ATOM 0 H GLY A 73 101.129 109.863 -21.695 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.442 111.722 -22.870 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.615 112.065 -21.615 1.00 0.00 H new ATOM 1132 N GLU A 74 102.632 112.236 -23.692 1.00 0.00 N ATOM 1133 CA GLU A 74 103.469 113.087 -24.530 1.00 0.00 C ATOM 1134 C GLU A 74 102.962 113.135 -25.983 1.00 0.00 C ATOM 1135 O GLU A 74 102.800 114.202 -26.560 1.00 0.00 O ATOM 1136 CB GLU A 74 104.928 112.623 -24.503 1.00 0.00 C ATOM 1137 CG GLU A 74 105.497 112.590 -23.089 1.00 0.00 C ATOM 1138 CD GLU A 74 106.835 111.849 -23.083 1.00 0.00 C ATOM 1139 OE1 GLU A 74 107.751 112.289 -23.775 1.00 0.00 O ATOM 1140 OE2 GLU A 74 106.945 110.841 -22.386 1.00 0.00 O ATOM 0 H GLU A 74 103.108 111.471 -23.214 1.00 0.00 H new ATOM 0 HA GLU A 74 103.411 114.094 -24.116 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.999 111.629 -24.945 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.531 113.290 -25.120 1.00 0.00 H new ATOM 0 HG2 GLU A 74 105.633 113.606 -22.718 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.795 112.097 -22.417 1.00 0.00 H new ATOM 1147 N ALA A 75 102.698 111.927 -26.525 1.00 0.00 N ATOM 1148 CA ALA A 75 102.039 111.870 -27.823 1.00 0.00 C ATOM 1149 C ALA A 75 100.692 112.606 -27.795 1.00 0.00 C ATOM 1150 O ALA A 75 100.406 113.424 -28.656 1.00 0.00 O ATOM 1151 CB ALA A 75 101.790 110.412 -28.223 1.00 0.00 C ATOM 0 H ALA A 75 102.922 111.027 -26.101 1.00 0.00 H new ATOM 0 HA ALA A 75 102.695 112.354 -28.547 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.297 110.380 -29.195 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.741 109.883 -28.281 1.00 0.00 H new ATOM 0 HB3 ALA A 75 101.154 109.934 -27.478 1.00 0.00 H new ATOM 1157 N GLN A 76 99.899 112.296 -26.755 1.00 0.00 N ATOM 1158 CA GLN A 76 98.532 112.793 -26.739 1.00 0.00 C ATOM 1159 C GLN A 76 98.451 114.330 -26.909 1.00 0.00 C ATOM 1160 O GLN A 76 97.535 114.840 -27.543 1.00 0.00 O ATOM 1161 CB GLN A 76 97.910 112.393 -25.404 1.00 0.00 C ATOM 1162 CG GLN A 76 97.470 110.928 -25.394 1.00 0.00 C ATOM 1163 CD GLN A 76 97.276 110.453 -23.952 1.00 0.00 C ATOM 1164 OE1 GLN A 76 97.073 111.238 -23.034 1.00 0.00 O ATOM 1165 NE2 GLN A 76 97.356 109.117 -23.823 1.00 0.00 N ATOM 0 H GLN A 76 100.173 111.729 -25.953 1.00 0.00 H new ATOM 0 HA GLN A 76 97.995 112.358 -27.582 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.630 112.561 -24.603 1.00 0.00 H new ATOM 0 HB3 GLN A 76 97.051 113.031 -25.198 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.540 110.814 -25.952 1.00 0.00 H new ATOM 0 HG3 GLN A 76 98.218 110.311 -25.892 1.00 0.00 H new ATOM 0 HE21 GLN A 76 97.528 108.535 -24.643 1.00 0.00 H new ATOM 0 HE22 GLN A 76 97.244 108.686 -22.905 1.00 0.00 H new ATOM 1174 N ASP A 77 99.440 115.032 -26.323 1.00 0.00 N ATOM 1175 CA ASP A 77 99.514 116.465 -26.547 1.00 0.00 C ATOM 1176 C ASP A 77 99.860 116.789 -28.013 1.00 0.00 C ATOM 1177 O ASP A 77 99.254 117.655 -28.631 1.00 0.00 O ATOM 1178 CB ASP A 77 100.575 117.064 -25.623 1.00 0.00 C ATOM 1179 CG ASP A 77 100.289 118.548 -25.392 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.904 119.227 -26.344 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.454 119.009 -24.264 1.00 0.00 O ATOM 0 H ASP A 77 100.163 114.641 -25.719 1.00 0.00 H new ATOM 0 HA ASP A 77 98.538 116.898 -26.330 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.581 116.534 -24.671 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.564 116.940 -26.063 1.00 0.00 H new ATOM 1186 N ILE A 78 100.862 116.045 -28.527 1.00 0.00 N ATOM 1187 CA ILE A 78 101.327 116.317 -29.873 1.00 0.00 C ATOM 1188 C ILE A 78 100.217 116.077 -30.916 1.00 0.00 C ATOM 1189 O ILE A 78 99.990 116.894 -31.799 1.00 0.00 O ATOM 1190 CB ILE A 78 102.525 115.397 -30.142 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.734 115.702 -29.243 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.938 115.388 -31.618 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.755 117.113 -28.643 1.00 0.00 C ATOM 0 H ILE A 78 101.338 115.285 -28.042 1.00 0.00 H new ATOM 0 HA ILE A 78 101.616 117.365 -29.958 1.00 0.00 H new ATOM 0 HB ILE A 78 102.177 114.396 -29.886 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.755 114.977 -28.429 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.645 115.556 -29.823 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.790 114.721 -31.753 1.00 0.00 H new ATOM 0 HG22 ILE A 78 102.104 115.039 -32.227 1.00 0.00 H new ATOM 0 HG23 ILE A 78 103.214 116.397 -31.925 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.645 117.232 -28.025 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.770 117.850 -29.446 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.865 117.261 -28.031 1.00 0.00 H new ATOM 1205 N ILE A 79 99.554 114.914 -30.767 1.00 0.00 N ATOM 1206 CA ILE A 79 98.520 114.530 -31.710 1.00 0.00 C ATOM 1207 C ILE A 79 97.332 115.502 -31.697 1.00 0.00 C ATOM 1208 O ILE A 79 96.818 115.885 -32.739 1.00 0.00 O ATOM 1209 CB ILE A 79 97.978 113.151 -31.343 1.00 0.00 C ATOM 1210 CG1 ILE A 79 99.067 112.101 -31.109 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.965 112.677 -32.384 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.328 112.324 -31.942 1.00 0.00 C ATOM 0 H ILE A 79 99.720 114.245 -30.015 1.00 0.00 H new ATOM 0 HA ILE A 79 98.978 114.536 -32.699 1.00 0.00 H new ATOM 0 HB ILE A 79 97.474 113.267 -30.383 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.336 112.100 -30.053 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.662 111.115 -31.336 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.590 111.692 -32.105 1.00 0.00 H new ATOM 0 HG22 ILE A 79 96.135 113.382 -32.431 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.447 112.619 -33.360 1.00 0.00 H new ATOM 0 HD11 ILE A 79 101.053 111.541 -31.721 1.00 0.00 H new ATOM 0 HD12 ILE A 79 100.074 112.295 -33.002 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.758 113.295 -31.698 1.00 0.00 H new ATOM 1224 N SER A 80 96.907 115.866 -30.471 1.00 0.00 N ATOM 1225 CA SER A 80 95.773 116.772 -30.391 1.00 0.00 C ATOM 1226 C SER A 80 96.054 118.101 -31.121 1.00 0.00 C ATOM 1227 O SER A 80 95.235 118.580 -31.897 1.00 0.00 O ATOM 1228 CB SER A 80 95.456 117.043 -28.914 1.00 0.00 C ATOM 1229 OG SER A 80 95.372 115.894 -28.079 1.00 0.00 O ATOM 0 H SER A 80 97.308 115.564 -29.583 1.00 0.00 H new ATOM 0 HA SER A 80 94.920 116.303 -30.881 1.00 0.00 H new ATOM 0 HB2 SER A 80 96.223 117.705 -28.513 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.509 117.580 -28.857 1.00 0.00 H new ATOM 0 HG SER A 80 96.201 115.803 -27.564 1.00 0.00 H new ATOM 1235 N ASN A 81 97.246 118.661 -30.838 1.00 0.00 N ATOM 1236 CA ASN A 81 97.561 119.920 -31.498 1.00 0.00 C ATOM 1237 C ASN A 81 97.814 119.728 -33.008 1.00 0.00 C ATOM 1238 O ASN A 81 97.308 120.476 -33.834 1.00 0.00 O ATOM 1239 CB ASN A 81 98.801 120.543 -30.850 1.00 0.00 C ATOM 1240 CG ASN A 81 98.714 122.070 -30.927 1.00 0.00 C ATOM 1241 OD1 ASN A 81 99.164 122.695 -31.880 1.00 0.00 O ATOM 1242 ND2 ASN A 81 98.104 122.621 -29.861 1.00 0.00 N ATOM 0 H ASN A 81 97.953 118.288 -30.204 1.00 0.00 H new ATOM 0 HA ASN A 81 96.702 120.581 -31.382 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.877 120.226 -29.810 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.701 120.195 -31.356 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.989 123.633 -29.806 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.757 122.027 -29.108 1.00 0.00 H new ATOM 1249 N ALA A 82 98.612 118.685 -33.318 1.00 0.00 N ATOM 1250 CA ALA A 82 99.016 118.489 -34.705 1.00 0.00 C ATOM 1251 C ALA A 82 97.833 118.128 -35.610 1.00 0.00 C ATOM 1252 O ALA A 82 97.651 118.684 -36.684 1.00 0.00 O ATOM 1253 CB ALA A 82 100.049 117.376 -34.796 1.00 0.00 C ATOM 0 H ALA A 82 98.970 118.000 -32.653 1.00 0.00 H new ATOM 0 HA ALA A 82 99.436 119.435 -35.047 1.00 0.00 H new ATOM 0 HB1 ALA A 82 100.344 117.238 -35.836 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.924 117.642 -34.203 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.620 116.449 -34.414 1.00 0.00 H new