USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 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 130:sc= -0.749 USER MOD Single : A 12 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.051) USER MOD Single : A 16 ASN : amide:sc= -0.823 K(o=-0.82,f=-9.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -145:sc= -1.09 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 72:sc= 0.567 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0555 (180deg=-0.27) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc=0.000671 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -86:sc= -2.42! USER MOD Single : A 46 ASN : amide:sc= -0.978 X(o=-0.98,f=-1) 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 :FLIP amide:sc= -2.84 F(o=-5.7!,f=-2.8) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.254) USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= -2.93! (180deg=-4.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -104:sc= 0.988 USER MOD Single : A 72 THR OG1 : rot -100:sc= -1.61 USER MOD Single : A 76 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.6) USER MOD Single : A 80 SER OG : rot 106:sc= 1.11 USER MOD Single : A 81 ASN :FLIP amide:sc=-0.00604 F(o=-0.76,f=-0.006) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.501 113.844 -41.542 1.00 0.00 N ATOM 54 CA VAL A 4 101.681 113.551 -40.746 1.00 0.00 C ATOM 55 C VAL A 4 102.581 114.785 -40.547 1.00 0.00 C ATOM 56 O VAL A 4 103.129 114.999 -39.477 1.00 0.00 O ATOM 57 CB VAL A 4 102.475 112.424 -41.394 1.00 0.00 C ATOM 58 CG1 VAL A 4 101.644 111.141 -41.479 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.018 112.848 -42.755 1.00 0.00 C ATOM 0 HA VAL A 4 101.337 113.243 -39.758 1.00 0.00 H new ATOM 0 HB VAL A 4 103.334 112.206 -40.760 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.236 110.354 -41.946 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.352 110.829 -40.476 1.00 0.00 H new ATOM 0 HG13 VAL A 4 100.751 111.325 -42.076 1.00 0.00 H new ATOM 0 HG21 VAL A 4 103.581 112.025 -43.195 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.189 113.112 -43.411 1.00 0.00 H new ATOM 0 HG23 VAL A 4 103.673 113.710 -42.633 1.00 0.00 H new ATOM 69 N THR A 5 102.716 115.589 -41.613 1.00 0.00 N ATOM 70 CA THR A 5 103.565 116.762 -41.456 1.00 0.00 C ATOM 71 C THR A 5 103.094 117.703 -40.328 1.00 0.00 C ATOM 72 O THR A 5 103.900 118.270 -39.601 1.00 0.00 O ATOM 73 CB THR A 5 103.722 117.511 -42.778 1.00 0.00 C ATOM 74 OG1 THR A 5 104.418 118.723 -42.595 1.00 0.00 O ATOM 75 CG2 THR A 5 102.387 117.748 -43.471 1.00 0.00 C ATOM 0 H THR A 5 102.281 115.459 -42.526 1.00 0.00 H new ATOM 0 HA THR A 5 104.545 116.394 -41.154 1.00 0.00 H new ATOM 0 HB THR A 5 104.313 116.872 -43.435 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.507 119.183 -43.456 1.00 0.00 H new ATOM 0 HG21 THR A 5 102.552 118.284 -44.406 1.00 0.00 H new ATOM 0 HG22 THR A 5 101.911 116.790 -43.681 1.00 0.00 H new ATOM 0 HG23 THR A 5 101.741 118.340 -42.823 1.00 0.00 H new ATOM 83 N TYR A 6 101.760 117.842 -40.233 1.00 0.00 N ATOM 84 CA TYR A 6 101.194 118.509 -39.069 1.00 0.00 C ATOM 85 C TYR A 6 101.564 117.803 -37.747 1.00 0.00 C ATOM 86 O TYR A 6 101.789 118.462 -36.742 1.00 0.00 O ATOM 87 CB TYR A 6 99.670 118.612 -39.191 1.00 0.00 C ATOM 88 CG TYR A 6 99.254 119.632 -40.220 1.00 0.00 C ATOM 89 CD1 TYR A 6 99.630 120.990 -40.060 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.488 119.258 -41.354 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.257 121.958 -41.025 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.113 120.222 -42.321 1.00 0.00 C ATOM 93 CZ TYR A 6 98.518 121.569 -42.167 1.00 0.00 C ATOM 94 OH TYR A 6 98.209 122.500 -43.137 1.00 0.00 O ATOM 0 H TYR A 6 101.085 117.513 -40.923 1.00 0.00 H new ATOM 0 HA TYR A 6 101.626 119.509 -39.042 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.261 117.638 -39.460 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.246 118.880 -38.223 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.205 121.289 -39.196 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.188 118.228 -41.481 1.00 0.00 H new ATOM 0 HE1 TYR A 6 99.537 122.992 -40.889 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.519 119.930 -43.174 1.00 0.00 H new ATOM 0 HH TYR A 6 97.699 122.068 -43.854 1.00 0.00 H new ATOM 104 N ILE A 7 101.595 116.453 -37.777 1.00 0.00 N ATOM 105 CA ILE A 7 102.067 115.735 -36.596 1.00 0.00 C ATOM 106 C ILE A 7 103.508 116.135 -36.216 1.00 0.00 C ATOM 107 O ILE A 7 103.814 116.394 -35.059 1.00 0.00 O ATOM 108 CB ILE A 7 101.995 114.224 -36.828 1.00 0.00 C ATOM 109 CG1 ILE A 7 100.603 113.799 -37.294 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.401 113.461 -35.566 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.544 114.138 -36.251 1.00 0.00 C ATOM 0 H ILE A 7 101.313 115.872 -38.566 1.00 0.00 H new ATOM 0 HA ILE A 7 101.413 116.009 -35.768 1.00 0.00 H new ATOM 0 HB ILE A 7 102.701 113.976 -37.621 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.364 114.297 -38.234 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.594 112.727 -37.490 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.342 112.389 -35.754 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.422 113.726 -35.293 1.00 0.00 H new ATOM 0 HG23 ILE A 7 101.728 113.723 -34.750 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.565 113.824 -36.611 1.00 0.00 H new ATOM 0 HD12 ILE A 7 99.772 113.620 -35.320 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.538 115.214 -36.075 1.00 0.00 H new ATOM 123 N ILE A 8 104.361 116.164 -37.258 1.00 0.00 N ATOM 124 CA ILE A 8 105.732 116.620 -37.089 1.00 0.00 C ATOM 125 C ILE A 8 105.780 118.041 -36.487 1.00 0.00 C ATOM 126 O ILE A 8 106.507 118.306 -35.537 1.00 0.00 O ATOM 127 CB ILE A 8 106.439 116.614 -38.451 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.359 115.251 -39.154 1.00 0.00 C ATOM 129 CG2 ILE A 8 107.897 117.051 -38.304 1.00 0.00 C ATOM 130 CD1 ILE A 8 106.669 115.357 -40.649 1.00 0.00 C ATOM 0 H ILE A 8 104.119 115.879 -38.207 1.00 0.00 H new ATOM 0 HA ILE A 8 106.238 115.943 -36.400 1.00 0.00 H new ATOM 0 HB ILE A 8 105.911 117.330 -39.081 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.061 114.560 -38.686 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.362 114.832 -39.019 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.380 117.040 -39.281 1.00 0.00 H new ATOM 0 HG22 ILE A 8 107.935 118.059 -37.892 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.417 116.366 -37.634 1.00 0.00 H new ATOM 0 HD11 ILE A 8 106.601 114.370 -41.106 1.00 0.00 H new ATOM 0 HD12 ILE A 8 105.951 116.026 -41.123 1.00 0.00 H new ATOM 0 HD13 ILE A 8 107.676 115.751 -40.785 1.00 0.00 H new ATOM 142 N LYS A 9 104.965 118.926 -37.097 1.00 0.00 N ATOM 143 CA LYS A 9 104.818 120.279 -36.585 1.00 0.00 C ATOM 144 C LYS A 9 104.398 120.292 -35.104 1.00 0.00 C ATOM 145 O LYS A 9 105.007 120.953 -34.272 1.00 0.00 O ATOM 146 CB LYS A 9 103.733 120.974 -37.406 1.00 0.00 C ATOM 147 CG LYS A 9 103.812 122.497 -37.306 1.00 0.00 C ATOM 148 CD LYS A 9 104.171 123.138 -38.646 1.00 0.00 C ATOM 149 CE LYS A 9 102.927 123.566 -39.426 1.00 0.00 C ATOM 150 NZ LYS A 9 102.568 124.958 -39.178 1.00 0.00 N ATOM 0 H LYS A 9 104.413 118.721 -37.930 1.00 0.00 H new ATOM 0 HA LYS A 9 105.779 120.788 -36.664 1.00 0.00 H new ATOM 0 HB2 LYS A 9 103.825 120.676 -38.450 1.00 0.00 H new ATOM 0 HB3 LYS A 9 102.753 120.641 -37.064 1.00 0.00 H new ATOM 0 HG2 LYS A 9 102.855 122.888 -36.961 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.557 122.774 -36.560 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.808 124.006 -38.474 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.748 122.432 -39.243 1.00 0.00 H new ATOM 0 HE2 LYS A 9 103.103 123.423 -40.492 1.00 0.00 H new ATOM 0 HE3 LYS A 9 102.090 122.923 -39.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 101.720 125.201 -39.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 102.374 125.091 -38.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 103.355 125.576 -39.464 1.00 0.00 H new ATOM 164 N ALA A 10 103.322 119.524 -34.834 1.00 0.00 N ATOM 165 CA ALA A 10 102.661 119.650 -33.543 1.00 0.00 C ATOM 166 C ALA A 10 103.550 119.111 -32.411 1.00 0.00 C ATOM 167 O ALA A 10 103.706 119.740 -31.372 1.00 0.00 O ATOM 168 CB ALA A 10 101.332 118.891 -33.553 1.00 0.00 C ATOM 0 H ALA A 10 102.914 118.840 -35.471 1.00 0.00 H new ATOM 0 HA ALA A 10 102.475 120.709 -33.365 1.00 0.00 H new ATOM 0 HB1 ALA A 10 100.847 118.993 -32.582 1.00 0.00 H new ATOM 0 HB2 ALA A 10 100.684 119.302 -34.327 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.517 117.836 -33.757 1.00 0.00 H new ATOM 174 N SER A 11 104.121 117.914 -32.674 1.00 0.00 N ATOM 175 CA SER A 11 105.090 117.368 -31.741 1.00 0.00 C ATOM 176 C SER A 11 106.206 118.370 -31.384 1.00 0.00 C ATOM 177 O SER A 11 106.545 118.560 -30.222 1.00 0.00 O ATOM 178 CB SER A 11 105.716 116.102 -32.340 1.00 0.00 C ATOM 179 OG SER A 11 106.863 115.627 -31.646 1.00 0.00 O ATOM 0 H SER A 11 103.928 117.339 -33.494 1.00 0.00 H new ATOM 0 HA SER A 11 104.556 117.137 -30.819 1.00 0.00 H new ATOM 0 HB2 SER A 11 104.964 115.313 -32.357 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.991 116.303 -33.376 1.00 0.00 H new ATOM 0 HG SER A 11 106.760 114.670 -31.460 1.00 0.00 H new ATOM 185 N ASN A 12 106.737 118.974 -32.470 1.00 0.00 N ATOM 186 CA ASN A 12 107.810 119.966 -32.437 1.00 0.00 C ATOM 187 C ASN A 12 109.109 119.353 -32.960 1.00 0.00 C ATOM 188 O ASN A 12 110.098 119.227 -32.249 1.00 0.00 O ATOM 189 CB ASN A 12 108.045 120.553 -31.043 1.00 0.00 C ATOM 190 CG ASN A 12 108.870 121.838 -31.145 1.00 0.00 C ATOM 191 OD1 ASN A 12 109.965 121.948 -30.607 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.265 122.795 -31.871 1.00 0.00 N ATOM 0 H ASN A 12 106.415 118.772 -33.416 1.00 0.00 H new ATOM 0 HA ASN A 12 107.493 120.787 -33.081 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.089 120.763 -30.562 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.564 119.827 -30.417 1.00 0.00 H new ATOM 0 HD21 ASN A 12 108.721 123.697 -32.007 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.350 122.619 -32.285 1.00 0.00 H new ATOM 199 N ASP A 13 109.034 118.982 -34.254 1.00 0.00 N ATOM 200 CA ASP A 13 110.230 118.489 -34.928 1.00 0.00 C ATOM 201 C ASP A 13 110.916 117.356 -34.139 1.00 0.00 C ATOM 202 O ASP A 13 112.124 117.360 -33.936 1.00 0.00 O ATOM 203 CB ASP A 13 111.212 119.642 -35.138 1.00 0.00 C ATOM 204 CG ASP A 13 112.096 119.355 -36.352 1.00 0.00 C ATOM 205 OD1 ASP A 13 111.571 119.305 -37.463 1.00 0.00 O ATOM 206 OD2 ASP A 13 113.302 119.185 -36.173 1.00 0.00 O ATOM 0 H ASP A 13 108.190 119.015 -34.826 1.00 0.00 H new ATOM 0 HA ASP A 13 109.923 118.078 -35.890 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.666 120.574 -35.286 1.00 0.00 H new ATOM 0 HB3 ASP A 13 111.830 119.772 -34.249 1.00 0.00 H new ATOM 211 N VAL A 14 110.069 116.398 -33.710 1.00 0.00 N ATOM 212 CA VAL A 14 110.554 115.054 -33.446 1.00 0.00 C ATOM 213 C VAL A 14 110.382 114.195 -34.705 1.00 0.00 C ATOM 214 O VAL A 14 111.341 113.720 -35.299 1.00 0.00 O ATOM 215 CB VAL A 14 109.756 114.471 -32.277 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.005 112.973 -32.098 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.060 115.231 -30.985 1.00 0.00 C ATOM 0 H VAL A 14 109.072 116.537 -33.546 1.00 0.00 H new ATOM 0 HA VAL A 14 111.612 115.071 -33.185 1.00 0.00 H new ATOM 0 HB VAL A 14 108.699 114.593 -32.514 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.418 112.604 -31.257 1.00 0.00 H new ATOM 0 HG12 VAL A 14 109.712 112.444 -33.005 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.064 112.801 -31.904 1.00 0.00 H new ATOM 0 HG21 VAL A 14 109.483 114.802 -30.166 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.124 115.154 -30.759 1.00 0.00 H new ATOM 0 HG23 VAL A 14 109.790 116.280 -31.108 1.00 0.00 H new ATOM 227 N LEU A 15 109.092 114.035 -35.064 1.00 0.00 N ATOM 228 CA LEU A 15 108.770 113.043 -36.070 1.00 0.00 C ATOM 229 C LEU A 15 109.410 113.433 -37.405 1.00 0.00 C ATOM 230 O LEU A 15 109.928 114.528 -37.586 1.00 0.00 O ATOM 231 CB LEU A 15 107.252 112.936 -36.243 1.00 0.00 C ATOM 232 CG LEU A 15 106.509 112.462 -34.995 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.069 111.149 -34.456 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.479 113.533 -33.909 1.00 0.00 C ATOM 0 H LEU A 15 108.302 114.558 -34.686 1.00 0.00 H new ATOM 0 HA LEU A 15 109.160 112.078 -35.747 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.862 113.911 -36.536 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.039 112.249 -37.062 1.00 0.00 H new ATOM 0 HG LEU A 15 105.480 112.275 -35.301 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.510 110.852 -33.569 1.00 0.00 H new ATOM 0 HD12 LEU A 15 106.979 110.375 -35.218 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.119 111.281 -34.195 1.00 0.00 H new ATOM 0 HD21 LEU A 15 105.941 113.155 -33.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.499 113.789 -33.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 105.975 114.422 -34.289 1.00 0.00 H new ATOM 246 N ASN A 16 109.327 112.450 -38.322 1.00 0.00 N ATOM 247 CA ASN A 16 109.089 112.757 -39.728 1.00 0.00 C ATOM 248 C ASN A 16 107.694 112.252 -40.114 1.00 0.00 C ATOM 249 O ASN A 16 106.915 111.814 -39.279 1.00 0.00 O ATOM 250 CB ASN A 16 110.179 112.142 -40.625 1.00 0.00 C ATOM 251 CG ASN A 16 110.413 110.652 -40.348 1.00 0.00 C ATOM 252 OD1 ASN A 16 109.940 109.780 -41.066 1.00 0.00 O ATOM 253 ND2 ASN A 16 111.189 110.425 -39.272 1.00 0.00 N ATOM 0 H ASN A 16 109.421 111.456 -38.111 1.00 0.00 H new ATOM 0 HA ASN A 16 109.134 113.836 -39.877 1.00 0.00 H new ATOM 0 HB2 ASN A 16 109.898 112.272 -41.670 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.113 112.684 -40.477 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.422 109.469 -39.004 1.00 0.00 H new ATOM 0 HD22 ASN A 16 111.544 111.209 -38.725 1.00 0.00 H new ATOM 260 N GLU A 17 107.424 112.334 -41.432 1.00 0.00 N ATOM 261 CA GLU A 17 106.404 111.504 -42.070 1.00 0.00 C ATOM 262 C GLU A 17 106.203 110.148 -41.358 1.00 0.00 C ATOM 263 O GLU A 17 105.158 109.861 -40.789 1.00 0.00 O ATOM 264 CB GLU A 17 106.798 111.287 -43.536 1.00 0.00 C ATOM 265 CG GLU A 17 106.200 112.357 -44.450 1.00 0.00 C ATOM 266 CD GLU A 17 106.699 113.741 -44.029 1.00 0.00 C ATOM 267 OE1 GLU A 17 107.903 113.896 -43.835 1.00 0.00 O ATOM 268 OE2 GLU A 17 105.876 114.646 -43.900 1.00 0.00 O ATOM 0 H GLU A 17 107.903 112.970 -42.069 1.00 0.00 H new ATOM 0 HA GLU A 17 105.450 112.026 -42.002 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.884 111.298 -43.626 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.462 110.302 -43.861 1.00 0.00 H new ATOM 0 HG2 GLU A 17 106.478 112.160 -45.485 1.00 0.00 H new ATOM 0 HG3 GLU A 17 105.112 112.323 -44.401 1.00 0.00 H new ATOM 275 N LYS A 18 107.286 109.355 -41.442 1.00 0.00 N ATOM 276 CA LYS A 18 107.174 107.935 -41.143 1.00 0.00 C ATOM 277 C LYS A 18 106.800 107.682 -39.671 1.00 0.00 C ATOM 278 O LYS A 18 105.886 106.926 -39.366 1.00 0.00 O ATOM 279 CB LYS A 18 108.497 107.247 -41.475 1.00 0.00 C ATOM 280 CG LYS A 18 108.938 107.514 -42.912 1.00 0.00 C ATOM 281 CD LYS A 18 110.113 106.628 -43.314 1.00 0.00 C ATOM 282 CE LYS A 18 111.222 107.426 -44.002 1.00 0.00 C ATOM 283 NZ LYS A 18 110.905 107.732 -45.391 1.00 0.00 N ATOM 0 H LYS A 18 108.219 109.670 -41.707 1.00 0.00 H new ATOM 0 HA LYS A 18 106.372 107.521 -41.754 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.269 107.596 -40.789 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.395 106.173 -41.321 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.101 107.338 -43.588 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.219 108.562 -43.018 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.516 106.136 -42.429 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.763 105.842 -43.983 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.389 108.355 -43.457 1.00 0.00 H new ATOM 0 HE3 LYS A 18 112.153 106.860 -43.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 111.686 108.273 -45.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 110.771 106.846 -45.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 110.032 108.295 -45.432 1.00 0.00 H new ATOM 297 N THR A 19 107.559 108.358 -38.786 1.00 0.00 N ATOM 298 CA THR A 19 107.271 108.228 -37.363 1.00 0.00 C ATOM 299 C THR A 19 105.942 108.894 -36.950 1.00 0.00 C ATOM 300 O THR A 19 105.273 108.439 -36.031 1.00 0.00 O ATOM 301 CB THR A 19 108.438 108.791 -36.545 1.00 0.00 C ATOM 302 OG1 THR A 19 108.642 110.156 -36.832 1.00 0.00 O ATOM 303 CG2 THR A 19 109.728 107.994 -36.758 1.00 0.00 C ATOM 0 H THR A 19 108.339 108.970 -39.025 1.00 0.00 H new ATOM 0 HA THR A 19 107.154 107.165 -37.154 1.00 0.00 H new ATOM 0 HB THR A 19 108.167 108.695 -35.494 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.600 110.359 -36.794 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.528 108.429 -36.159 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.570 106.959 -36.456 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.006 108.026 -37.812 1.00 0.00 H new ATOM 311 N ALA A 20 105.600 109.988 -37.654 1.00 0.00 N ATOM 312 CA ALA A 20 104.309 110.607 -37.410 1.00 0.00 C ATOM 313 C ALA A 20 103.141 109.654 -37.725 1.00 0.00 C ATOM 314 O ALA A 20 102.209 109.526 -36.943 1.00 0.00 O ATOM 315 CB ALA A 20 104.199 111.836 -38.314 1.00 0.00 C ATOM 0 H ALA A 20 106.179 110.437 -38.364 1.00 0.00 H new ATOM 0 HA ALA A 20 104.245 110.872 -36.355 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.237 112.322 -38.152 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.003 112.534 -38.079 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.279 111.529 -39.357 1.00 0.00 H new ATOM 321 N THR A 21 103.239 108.996 -38.897 1.00 0.00 N ATOM 322 CA THR A 21 102.192 108.039 -39.234 1.00 0.00 C ATOM 323 C THR A 21 102.187 106.806 -38.305 1.00 0.00 C ATOM 324 O THR A 21 101.135 106.305 -37.924 1.00 0.00 O ATOM 325 CB THR A 21 102.278 107.679 -40.721 1.00 0.00 C ATOM 326 OG1 THR A 21 101.068 107.123 -41.187 1.00 0.00 O ATOM 327 CG2 THR A 21 103.468 106.789 -41.089 1.00 0.00 C ATOM 0 H THR A 21 103.987 109.104 -39.582 1.00 0.00 H new ATOM 0 HA THR A 21 101.225 108.512 -39.062 1.00 0.00 H new ATOM 0 HB THR A 21 102.452 108.626 -41.232 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.153 106.905 -42.139 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.451 106.584 -42.159 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.397 107.298 -40.832 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.404 105.850 -40.538 1.00 0.00 H new ATOM 335 N ILE A 22 103.408 106.352 -37.967 1.00 0.00 N ATOM 336 CA ILE A 22 103.527 105.161 -37.136 1.00 0.00 C ATOM 337 C ILE A 22 103.002 105.414 -35.709 1.00 0.00 C ATOM 338 O ILE A 22 102.186 104.663 -35.190 1.00 0.00 O ATOM 339 CB ILE A 22 104.995 104.728 -37.090 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.499 104.352 -38.487 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.237 103.624 -36.049 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.634 102.845 -38.720 1.00 0.00 C ATOM 0 H ILE A 22 104.290 106.779 -38.248 1.00 0.00 H new ATOM 0 HA ILE A 22 102.919 104.369 -37.573 1.00 0.00 H new ATOM 0 HB ILE A 22 105.587 105.581 -36.759 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.816 104.764 -39.230 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.469 104.822 -38.650 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.291 103.347 -36.050 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.959 103.989 -35.060 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.633 102.751 -36.297 1.00 0.00 H new ATOM 0 HD11 ILE A 22 105.996 102.664 -39.732 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.340 102.428 -38.002 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.662 102.368 -38.592 1.00 0.00 H new ATOM 354 N LEU A 23 103.517 106.511 -35.114 1.00 0.00 N ATOM 355 CA LEU A 23 102.983 106.951 -33.831 1.00 0.00 C ATOM 356 C LEU A 23 101.449 107.090 -33.862 1.00 0.00 C ATOM 357 O LEU A 23 100.770 106.746 -32.906 1.00 0.00 O ATOM 358 CB LEU A 23 103.636 108.290 -33.446 1.00 0.00 C ATOM 359 CG LEU A 23 102.886 109.107 -32.384 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.793 108.332 -31.070 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.554 110.468 -32.172 1.00 0.00 C ATOM 0 H LEU A 23 104.273 107.082 -35.492 1.00 0.00 H new ATOM 0 HA LEU A 23 103.219 106.194 -33.083 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.644 108.092 -33.082 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.735 108.898 -34.345 1.00 0.00 H new ATOM 0 HG LEU A 23 101.872 109.283 -32.744 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.258 108.930 -30.332 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.258 107.397 -31.236 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.796 108.116 -30.703 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.005 111.029 -31.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.582 110.321 -31.840 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.551 111.025 -33.109 1.00 0.00 H new ATOM 373 N ILE A 24 100.955 107.623 -34.993 1.00 0.00 N ATOM 374 CA ILE A 24 99.520 107.767 -35.134 1.00 0.00 C ATOM 375 C ILE A 24 98.813 106.406 -35.081 1.00 0.00 C ATOM 376 O ILE A 24 97.871 106.208 -34.325 1.00 0.00 O ATOM 377 CB ILE A 24 99.255 108.521 -36.435 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.669 109.974 -36.223 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.809 108.385 -36.926 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.523 110.822 -35.674 1.00 0.00 C ATOM 0 H ILE A 24 101.511 107.945 -35.785 1.00 0.00 H new ATOM 0 HA ILE A 24 99.108 108.337 -34.301 1.00 0.00 H new ATOM 0 HB ILE A 24 99.849 108.080 -37.235 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.512 110.014 -35.533 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.011 110.395 -37.168 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.686 108.943 -37.854 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.582 107.334 -37.102 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.130 108.781 -36.171 1.00 0.00 H new ATOM 0 HD11 ILE A 24 98.863 111.849 -35.539 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.689 110.805 -36.376 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.198 110.418 -34.715 1.00 0.00 H new ATOM 392 N THR A 25 99.318 105.490 -35.925 1.00 0.00 N ATOM 393 CA THR A 25 98.613 104.228 -36.081 1.00 0.00 C ATOM 394 C THR A 25 98.484 103.472 -34.739 1.00 0.00 C ATOM 395 O THR A 25 97.430 102.934 -34.421 1.00 0.00 O ATOM 396 CB THR A 25 99.335 103.353 -37.112 1.00 0.00 C ATOM 397 OG1 THR A 25 99.972 104.113 -38.117 1.00 0.00 O ATOM 398 CG2 THR A 25 98.384 102.333 -37.734 1.00 0.00 C ATOM 0 H THR A 25 100.168 105.598 -36.479 1.00 0.00 H new ATOM 0 HA THR A 25 97.605 104.450 -36.431 1.00 0.00 H new ATOM 0 HB THR A 25 100.115 102.818 -36.570 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.753 104.567 -37.738 1.00 0.00 H new ATOM 0 HG21 THR A 25 98.925 101.727 -38.461 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.980 101.688 -36.953 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.567 102.854 -38.232 1.00 0.00 H new ATOM 406 N ILE A 26 99.599 103.461 -33.980 1.00 0.00 N ATOM 407 CA ILE A 26 99.492 103.045 -32.586 1.00 0.00 C ATOM 408 C ILE A 26 98.517 103.940 -31.799 1.00 0.00 C ATOM 409 O ILE A 26 97.621 103.465 -31.113 1.00 0.00 O ATOM 410 CB ILE A 26 100.863 103.101 -31.910 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.942 102.323 -32.670 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.756 102.619 -30.463 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.276 103.068 -32.640 1.00 0.00 C ATOM 0 H ILE A 26 100.533 103.722 -34.296 1.00 0.00 H new ATOM 0 HA ILE A 26 99.111 102.024 -32.583 1.00 0.00 H new ATOM 0 HB ILE A 26 101.181 104.144 -31.920 1.00 0.00 H new ATOM 0 HG12 ILE A 26 102.063 101.335 -32.227 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.628 102.173 -33.703 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.738 102.663 -29.991 1.00 0.00 H new ATOM 0 HG22 ILE A 26 100.062 103.258 -29.917 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.392 101.592 -30.448 1.00 0.00 H new ATOM 0 HD11 ILE A 26 104.025 102.495 -33.186 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.157 104.046 -33.106 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.599 103.195 -31.607 1.00 0.00 H new ATOM 425 N ALA A 27 98.757 105.258 -31.948 1.00 0.00 N ATOM 426 CA ALA A 27 98.082 106.227 -31.087 1.00 0.00 C ATOM 427 C ALA A 27 96.552 106.042 -31.082 1.00 0.00 C ATOM 428 O ALA A 27 95.920 106.028 -30.033 1.00 0.00 O ATOM 429 CB ALA A 27 98.404 107.650 -31.554 1.00 0.00 C ATOM 0 H ALA A 27 99.394 105.659 -32.636 1.00 0.00 H new ATOM 0 HA ALA A 27 98.447 106.061 -30.073 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.898 108.368 -30.909 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.481 107.814 -31.506 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.063 107.782 -32.581 1.00 0.00 H new ATOM 435 N LYS A 28 96.001 105.901 -32.305 1.00 0.00 N ATOM 436 CA LYS A 28 94.586 105.602 -32.443 1.00 0.00 C ATOM 437 C LYS A 28 94.215 104.336 -31.657 1.00 0.00 C ATOM 438 O LYS A 28 93.381 104.353 -30.760 1.00 0.00 O ATOM 439 CB LYS A 28 94.249 105.446 -33.933 1.00 0.00 C ATOM 440 CG LYS A 28 93.707 106.747 -34.526 1.00 0.00 C ATOM 441 CD LYS A 28 92.274 107.029 -34.070 1.00 0.00 C ATOM 442 CE LYS A 28 91.755 108.361 -34.612 1.00 0.00 C ATOM 443 NZ LYS A 28 91.911 108.474 -36.057 1.00 0.00 N ATOM 0 H LYS A 28 96.511 105.989 -33.184 1.00 0.00 H new ATOM 0 HA LYS A 28 94.001 106.423 -32.029 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.142 105.141 -34.479 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.512 104.653 -34.059 1.00 0.00 H new ATOM 0 HG2 LYS A 28 94.351 107.576 -34.232 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.737 106.690 -35.614 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.621 106.222 -34.404 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.235 107.040 -32.981 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.702 108.469 -34.354 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.287 109.179 -34.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 91.397 109.311 -36.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.920 108.569 -36.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.528 107.623 -36.515 1.00 0.00 H new ATOM 457 N LYS A 29 94.893 103.245 -32.059 1.00 0.00 N ATOM 458 CA LYS A 29 94.418 101.923 -31.695 1.00 0.00 C ATOM 459 C LYS A 29 95.118 101.469 -30.406 1.00 0.00 C ATOM 460 O LYS A 29 96.339 101.455 -30.299 1.00 0.00 O ATOM 461 CB LYS A 29 94.719 100.937 -32.821 1.00 0.00 C ATOM 462 CG LYS A 29 93.698 99.807 -32.859 1.00 0.00 C ATOM 463 CD LYS A 29 94.371 98.450 -33.043 1.00 0.00 C ATOM 464 CE LYS A 29 93.367 97.352 -33.396 1.00 0.00 C ATOM 465 NZ LYS A 29 92.843 96.677 -32.215 1.00 0.00 N ATOM 0 H LYS A 29 95.745 103.262 -32.619 1.00 0.00 H new ATOM 0 HA LYS A 29 93.341 101.957 -31.531 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.718 101.462 -33.776 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.718 100.522 -32.686 1.00 0.00 H new ATOM 0 HG2 LYS A 29 93.121 99.806 -31.934 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.994 99.979 -33.674 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.121 98.522 -33.831 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.896 98.179 -32.127 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.541 97.786 -33.959 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.847 96.620 -34.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.420 95.769 -32.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.616 96.507 -31.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 92.118 97.273 -31.767 1.00 0.00 H new ATOM 479 N ASP A 30 94.250 101.102 -29.448 1.00 0.00 N ATOM 480 CA ASP A 30 94.694 100.772 -28.110 1.00 0.00 C ATOM 481 C ASP A 30 94.884 99.254 -27.984 1.00 0.00 C ATOM 482 O ASP A 30 93.932 98.485 -27.960 1.00 0.00 O ATOM 483 CB ASP A 30 93.629 101.233 -27.118 1.00 0.00 C ATOM 484 CG ASP A 30 93.548 102.761 -27.106 1.00 0.00 C ATOM 485 OD1 ASP A 30 92.837 103.318 -27.940 1.00 0.00 O ATOM 486 OD2 ASP A 30 94.198 103.376 -26.261 1.00 0.00 O ATOM 0 H ASP A 30 93.242 101.031 -29.588 1.00 0.00 H new ATOM 0 HA ASP A 30 95.643 101.267 -27.903 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.661 100.812 -27.390 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.867 100.866 -26.120 1.00 0.00 H new ATOM 491 N PHE A 31 96.176 98.885 -27.908 1.00 0.00 N ATOM 492 CA PHE A 31 96.567 97.522 -28.241 1.00 0.00 C ATOM 493 C PHE A 31 96.238 97.248 -29.718 1.00 0.00 C ATOM 494 O PHE A 31 95.474 96.352 -30.056 1.00 0.00 O ATOM 495 CB PHE A 31 95.882 96.467 -27.343 1.00 0.00 C ATOM 496 CG PHE A 31 95.975 96.686 -25.845 1.00 0.00 C ATOM 497 CD1 PHE A 31 96.963 97.527 -25.264 1.00 0.00 C ATOM 498 CD2 PHE A 31 95.042 96.043 -24.990 1.00 0.00 C ATOM 499 CE1 PHE A 31 96.992 97.748 -23.865 1.00 0.00 C ATOM 500 CE2 PHE A 31 95.078 96.248 -23.589 1.00 0.00 C ATOM 501 CZ PHE A 31 96.052 97.104 -23.026 1.00 0.00 C ATOM 0 H PHE A 31 96.940 99.499 -27.626 1.00 0.00 H new ATOM 0 HA PHE A 31 97.639 97.435 -28.066 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.828 96.421 -27.616 1.00 0.00 H new ATOM 0 HB3 PHE A 31 96.314 95.493 -27.572 1.00 0.00 H new ATOM 0 HD1 PHE A 31 97.699 98.002 -25.896 1.00 0.00 H new ATOM 0 HD2 PHE A 31 94.295 95.389 -25.414 1.00 0.00 H new ATOM 0 HE1 PHE A 31 97.732 98.409 -23.438 1.00 0.00 H new ATOM 0 HE2 PHE A 31 94.362 95.751 -22.951 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.079 97.266 -21.959 1.00 0.00 H new ATOM 511 N ILE A 32 96.873 98.088 -30.563 1.00 0.00 N ATOM 512 CA ILE A 32 97.524 97.629 -31.779 1.00 0.00 C ATOM 513 C ILE A 32 98.482 96.465 -31.471 1.00 0.00 C ATOM 514 O ILE A 32 98.375 95.795 -30.452 1.00 0.00 O ATOM 515 CB ILE A 32 98.214 98.836 -32.443 1.00 0.00 C ATOM 516 CG1 ILE A 32 98.302 98.639 -33.953 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.587 99.149 -31.847 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.427 99.972 -34.687 1.00 0.00 C ATOM 0 H ILE A 32 96.941 99.094 -30.411 1.00 0.00 H new ATOM 0 HA ILE A 32 96.797 97.229 -32.486 1.00 0.00 H new ATOM 0 HB ILE A 32 97.590 99.705 -32.235 1.00 0.00 H new ATOM 0 HG12 ILE A 32 99.161 98.011 -34.189 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.415 98.111 -34.304 1.00 0.00 H new ATOM 0 HG21 ILE A 32 100.018 100.009 -32.359 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.480 99.374 -30.786 1.00 0.00 H new ATOM 0 HG23 ILE A 32 100.242 98.287 -31.971 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.487 99.792 -35.760 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.555 100.589 -34.471 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.328 100.487 -34.354 1.00 0.00 H new ATOM 530 N THR A 33 99.409 96.256 -32.420 1.00 0.00 N ATOM 531 CA THR A 33 100.776 95.954 -32.017 1.00 0.00 C ATOM 532 C THR A 33 101.738 96.615 -33.013 1.00 0.00 C ATOM 533 O THR A 33 101.337 97.328 -33.926 1.00 0.00 O ATOM 534 CB THR A 33 100.990 94.429 -31.959 1.00 0.00 C ATOM 535 OG1 THR A 33 101.157 93.841 -33.231 1.00 0.00 O ATOM 536 CG2 THR A 33 99.870 93.709 -31.196 1.00 0.00 C ATOM 0 H THR A 33 99.242 96.290 -33.426 1.00 0.00 H new ATOM 0 HA THR A 33 100.970 96.349 -31.020 1.00 0.00 H new ATOM 0 HB THR A 33 101.923 94.300 -31.410 1.00 0.00 H new ATOM 0 HG1 THR A 33 100.279 93.631 -33.612 1.00 0.00 H new ATOM 0 HG21 THR A 33 100.068 92.637 -31.184 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.829 94.082 -30.173 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.916 93.896 -31.689 1.00 0.00 H new ATOM 544 N ALA A 34 103.033 96.331 -32.785 1.00 0.00 N ATOM 545 CA ALA A 34 103.980 96.491 -33.883 1.00 0.00 C ATOM 546 C ALA A 34 103.545 95.734 -35.155 1.00 0.00 C ATOM 547 O ALA A 34 103.595 96.261 -36.258 1.00 0.00 O ATOM 548 CB ALA A 34 105.363 96.013 -33.437 1.00 0.00 C ATOM 0 H ALA A 34 103.424 96.008 -31.900 1.00 0.00 H new ATOM 0 HA ALA A 34 104.011 97.550 -34.138 1.00 0.00 H new ATOM 0 HB1 ALA A 34 106.071 96.132 -34.257 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.694 96.604 -32.583 1.00 0.00 H new ATOM 0 HB3 ALA A 34 105.311 94.962 -33.153 1.00 0.00 H new ATOM 554 N ALA A 35 103.114 94.479 -34.924 1.00 0.00 N ATOM 555 CA ALA A 35 102.690 93.616 -36.018 1.00 0.00 C ATOM 556 C ALA A 35 101.614 94.285 -36.899 1.00 0.00 C ATOM 557 O ALA A 35 101.726 94.314 -38.118 1.00 0.00 O ATOM 558 CB ALA A 35 102.175 92.280 -35.458 1.00 0.00 C ATOM 0 H ALA A 35 103.054 94.054 -33.999 1.00 0.00 H new ATOM 0 HA ALA A 35 103.556 93.433 -36.654 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.859 91.638 -36.281 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.972 91.788 -34.899 1.00 0.00 H new ATOM 0 HB3 ALA A 35 101.329 92.465 -34.796 1.00 0.00 H new ATOM 564 N GLU A 36 100.572 94.812 -36.226 1.00 0.00 N ATOM 565 CA GLU A 36 99.551 95.511 -36.993 1.00 0.00 C ATOM 566 C GLU A 36 100.121 96.741 -37.727 1.00 0.00 C ATOM 567 O GLU A 36 99.792 96.988 -38.881 1.00 0.00 O ATOM 568 CB GLU A 36 98.380 95.922 -36.094 1.00 0.00 C ATOM 569 CG GLU A 36 97.044 95.548 -36.725 1.00 0.00 C ATOM 570 CD GLU A 36 95.896 95.962 -35.803 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.573 97.148 -35.765 1.00 0.00 O ATOM 572 OE2 GLU A 36 95.338 95.094 -35.135 1.00 0.00 O ATOM 0 H GLU A 36 100.427 94.768 -35.217 1.00 0.00 H new ATOM 0 HA GLU A 36 99.187 94.816 -37.749 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.475 95.436 -35.123 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.414 96.997 -35.917 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.939 96.039 -37.693 1.00 0.00 H new ATOM 0 HG3 GLU A 36 97.006 94.474 -36.907 1.00 0.00 H new ATOM 579 N VAL A 37 100.983 97.494 -37.011 1.00 0.00 N ATOM 580 CA VAL A 37 101.540 98.675 -37.651 1.00 0.00 C ATOM 581 C VAL A 37 102.331 98.318 -38.934 1.00 0.00 C ATOM 582 O VAL A 37 102.240 99.016 -39.937 1.00 0.00 O ATOM 583 CB VAL A 37 102.438 99.426 -36.662 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.099 100.626 -37.344 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.664 99.873 -35.417 1.00 0.00 C ATOM 0 H VAL A 37 101.285 97.313 -36.054 1.00 0.00 H new ATOM 0 HA VAL A 37 100.711 99.317 -37.950 1.00 0.00 H new ATOM 0 HB VAL A 37 103.215 98.736 -36.334 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.733 101.148 -36.627 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.706 100.280 -38.181 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.330 101.306 -37.710 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.336 100.402 -34.741 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.851 100.536 -35.713 1.00 0.00 H new ATOM 0 HG23 VAL A 37 101.253 98.999 -34.911 1.00 0.00 H new ATOM 595 N ARG A 38 103.103 97.211 -38.854 1.00 0.00 N ATOM 596 CA ARG A 38 103.645 96.629 -40.073 1.00 0.00 C ATOM 597 C ARG A 38 102.554 96.355 -41.131 1.00 0.00 C ATOM 598 O ARG A 38 102.715 96.651 -42.307 1.00 0.00 O ATOM 599 CB ARG A 38 104.353 95.320 -39.738 1.00 0.00 C ATOM 600 CG ARG A 38 105.503 95.509 -38.750 1.00 0.00 C ATOM 601 CD ARG A 38 106.623 94.494 -38.991 1.00 0.00 C ATOM 602 NE ARG A 38 106.448 93.330 -38.142 1.00 0.00 N ATOM 603 CZ ARG A 38 107.190 92.237 -38.400 1.00 0.00 C ATOM 604 NH1 ARG A 38 108.469 92.200 -38.039 1.00 0.00 N ATOM 605 NH2 ARG A 38 106.642 91.192 -39.015 1.00 0.00 N ATOM 0 H ARG A 38 103.350 96.729 -37.990 1.00 0.00 H new ATOM 0 HA ARG A 38 104.343 97.351 -40.496 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.632 94.618 -39.320 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.737 94.874 -40.655 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.901 96.520 -38.842 1.00 0.00 H new ATOM 0 HG3 ARG A 38 105.129 95.405 -37.731 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.627 94.190 -40.038 1.00 0.00 H new ATOM 0 HD3 ARG A 38 107.590 94.956 -38.790 1.00 0.00 H new ATOM 0 HE ARG A 38 105.781 93.340 -37.371 1.00 0.00 H new ATOM 0 HH11 ARG A 38 108.889 93.000 -37.566 1.00 0.00 H new ATOM 0 HH12 ARG A 38 109.030 91.371 -38.235 1.00 0.00 H new ATOM 0 HH21 ARG A 38 105.660 91.220 -39.291 1.00 0.00 H new ATOM 0 HH22 ARG A 38 107.204 90.363 -39.211 1.00 0.00 H new ATOM 619 N GLU A 39 101.444 95.771 -40.640 1.00 0.00 N ATOM 620 CA GLU A 39 100.458 95.228 -41.561 1.00 0.00 C ATOM 621 C GLU A 39 99.694 96.338 -42.310 1.00 0.00 C ATOM 622 O GLU A 39 99.433 96.237 -43.503 1.00 0.00 O ATOM 623 CB GLU A 39 99.477 94.367 -40.772 1.00 0.00 C ATOM 624 CG GLU A 39 100.165 93.135 -40.191 1.00 0.00 C ATOM 625 CD GLU A 39 99.862 91.885 -41.024 1.00 0.00 C ATOM 626 OE1 GLU A 39 99.865 91.983 -42.250 1.00 0.00 O ATOM 627 OE2 GLU A 39 99.628 90.830 -40.436 1.00 0.00 O ATOM 0 H GLU A 39 101.222 95.670 -39.649 1.00 0.00 H new ATOM 0 HA GLU A 39 100.978 94.632 -42.311 1.00 0.00 H new ATOM 0 HB2 GLU A 39 99.039 94.956 -39.966 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.658 94.057 -41.421 1.00 0.00 H new ATOM 0 HG2 GLU A 39 101.242 93.299 -40.156 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.833 92.980 -39.164 1.00 0.00 H new ATOM 719 N ASN A 46 108.709 98.445 -44.209 1.00 0.00 N ATOM 720 CA ASN A 46 108.927 97.472 -43.141 1.00 0.00 C ATOM 721 C ASN A 46 110.123 97.830 -42.237 1.00 0.00 C ATOM 722 O ASN A 46 110.016 97.838 -41.016 1.00 0.00 O ATOM 723 CB ASN A 46 109.115 96.072 -43.723 1.00 0.00 C ATOM 724 CG ASN A 46 110.272 96.025 -44.728 1.00 0.00 C ATOM 725 OD1 ASN A 46 111.393 95.649 -44.406 1.00 0.00 O ATOM 726 ND2 ASN A 46 109.918 96.434 -45.959 1.00 0.00 N ATOM 0 HA ASN A 46 108.035 97.494 -42.516 1.00 0.00 H new ATOM 0 HB2 ASN A 46 109.306 95.365 -42.916 1.00 0.00 H new ATOM 0 HB3 ASN A 46 108.194 95.755 -44.213 1.00 0.00 H new ATOM 0 HD21 ASN A 46 110.608 96.447 -46.710 1.00 0.00 H new ATOM 0 HD22 ASN A 46 108.960 96.732 -46.142 1.00 0.00 H new ATOM 733 N ALA A 47 111.256 98.123 -42.902 1.00 0.00 N ATOM 734 CA ALA A 47 112.444 98.440 -42.123 1.00 0.00 C ATOM 735 C ALA A 47 112.251 99.714 -41.278 1.00 0.00 C ATOM 736 O ALA A 47 112.579 99.742 -40.098 1.00 0.00 O ATOM 737 CB ALA A 47 113.637 98.614 -43.062 1.00 0.00 C ATOM 0 H ALA A 47 111.364 98.145 -43.916 1.00 0.00 H new ATOM 0 HA ALA A 47 112.628 97.614 -41.436 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.527 98.851 -42.479 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.802 97.690 -43.616 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.434 99.425 -43.761 1.00 0.00 H new ATOM 743 N VAL A 48 111.701 100.758 -41.933 1.00 0.00 N ATOM 744 CA VAL A 48 111.506 101.984 -41.165 1.00 0.00 C ATOM 745 C VAL A 48 110.500 101.781 -40.012 1.00 0.00 C ATOM 746 O VAL A 48 110.660 102.341 -38.938 1.00 0.00 O ATOM 747 CB VAL A 48 111.093 103.162 -42.062 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.996 103.275 -43.288 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.625 103.110 -42.489 1.00 0.00 C ATOM 0 H VAL A 48 111.408 100.776 -42.910 1.00 0.00 H new ATOM 0 HA VAL A 48 112.469 102.235 -40.721 1.00 0.00 H new ATOM 0 HB VAL A 48 111.215 104.055 -41.449 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.675 104.118 -43.900 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.026 103.430 -42.968 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.932 102.357 -43.873 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.399 103.970 -43.120 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.441 102.192 -43.047 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.988 103.131 -41.605 1.00 0.00 H new ATOM 759 N VAL A 49 109.466 100.967 -40.297 1.00 0.00 N ATOM 760 CA VAL A 49 108.355 100.803 -39.371 1.00 0.00 C ATOM 761 C VAL A 49 108.804 100.203 -38.024 1.00 0.00 C ATOM 762 O VAL A 49 108.374 100.638 -36.963 1.00 0.00 O ATOM 763 CB VAL A 49 107.283 99.936 -40.036 1.00 0.00 C ATOM 764 CG1 VAL A 49 106.154 99.594 -39.065 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.720 100.642 -41.264 1.00 0.00 C ATOM 0 H VAL A 49 109.387 100.422 -41.156 1.00 0.00 H new ATOM 0 HA VAL A 49 107.942 101.785 -39.142 1.00 0.00 H new ATOM 0 HB VAL A 49 107.756 99.003 -40.342 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.412 98.978 -39.572 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.559 99.047 -38.214 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.684 100.513 -38.715 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.959 100.014 -41.727 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.275 101.592 -40.966 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.523 100.826 -41.978 1.00 0.00 H new ATOM 775 N ASN A 50 109.687 99.189 -38.129 1.00 0.00 N ATOM 776 CA ASN A 50 110.377 98.714 -36.936 1.00 0.00 C ATOM 777 C ASN A 50 111.091 99.861 -36.191 1.00 0.00 C ATOM 778 O ASN A 50 110.982 99.997 -34.978 1.00 0.00 O ATOM 779 CB ASN A 50 111.406 97.649 -37.337 1.00 0.00 C ATOM 780 CG ASN A 50 111.488 96.565 -36.259 1.00 0.00 C ATOM 781 OD1 ASN A 50 112.331 96.599 -35.370 1.00 0.00 O ATOM 782 ND2 ASN A 50 110.554 95.607 -36.405 1.00 0.00 N ATOM 0 H ASN A 50 109.926 98.706 -38.995 1.00 0.00 H new ATOM 0 HA ASN A 50 109.632 98.291 -36.262 1.00 0.00 H new ATOM 0 HB2 ASN A 50 111.126 97.203 -38.292 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.384 98.111 -37.475 1.00 0.00 H new ATOM 0 HD21 ASN A 50 110.512 94.831 -35.744 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.889 95.657 -37.176 1.00 0.00 H new ATOM 789 N SER A 51 111.820 100.670 -36.984 1.00 0.00 N ATOM 790 CA SER A 51 112.549 101.763 -36.361 1.00 0.00 C ATOM 791 C SER A 51 111.613 102.784 -35.679 1.00 0.00 C ATOM 792 O SER A 51 111.887 103.239 -34.575 1.00 0.00 O ATOM 793 CB SER A 51 113.419 102.468 -37.414 1.00 0.00 C ATOM 794 OG SER A 51 113.902 103.750 -37.035 1.00 0.00 O ATOM 0 H SER A 51 111.912 100.589 -37.997 1.00 0.00 H new ATOM 0 HA SER A 51 113.178 101.335 -35.581 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.271 101.829 -37.646 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.840 102.571 -38.332 1.00 0.00 H new ATOM 0 HG SER A 51 114.445 104.123 -37.761 1.00 0.00 H new ATOM 800 N ASN A 52 110.512 103.123 -36.382 1.00 0.00 N ATOM 801 CA ASN A 52 109.685 104.245 -35.971 1.00 0.00 C ATOM 802 C ASN A 52 108.936 103.996 -34.643 1.00 0.00 C ATOM 803 O ASN A 52 108.755 104.887 -33.824 1.00 0.00 O ATOM 804 CB ASN A 52 108.646 104.490 -37.058 1.00 0.00 C ATOM 805 CG ASN A 52 109.315 104.813 -38.402 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.736 104.172 -39.428 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.278 105.564 -38.489 1.00 0.00 N flip ATOM 0 H ASN A 52 110.191 102.638 -37.220 1.00 0.00 H new ATOM 0 HA ASN A 52 110.346 105.099 -35.820 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.014 103.609 -37.166 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.996 105.314 -36.765 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.654 106.010 -37.652 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.704 105.743 -39.398 1.00 0.00 H new ATOM 814 N ILE A 53 108.465 102.749 -34.498 1.00 0.00 N ATOM 815 CA ILE A 53 107.865 102.375 -33.234 1.00 0.00 C ATOM 816 C ILE A 53 108.896 102.428 -32.092 1.00 0.00 C ATOM 817 O ILE A 53 108.653 103.001 -31.037 1.00 0.00 O ATOM 818 CB ILE A 53 107.310 100.957 -33.365 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.309 100.832 -34.516 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.650 100.491 -32.073 1.00 0.00 C ATOM 821 CD1 ILE A 53 106.030 99.370 -34.844 1.00 0.00 C ATOM 0 H ILE A 53 108.490 102.020 -35.211 1.00 0.00 H new ATOM 0 HA ILE A 53 107.067 103.078 -32.994 1.00 0.00 H new ATOM 0 HB ILE A 53 108.166 100.318 -33.580 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.378 101.332 -34.248 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.700 101.338 -35.399 1.00 0.00 H new ATOM 0 HG21 ILE A 53 106.267 99.479 -32.204 1.00 0.00 H new ATOM 0 HG22 ILE A 53 107.383 100.500 -31.266 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.827 101.160 -31.823 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.316 99.311 -35.665 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.959 98.879 -35.135 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.616 98.873 -33.967 1.00 0.00 H new ATOM 833 N GLY A 54 110.050 101.791 -32.363 1.00 0.00 N ATOM 834 CA GLY A 54 111.104 101.784 -31.366 1.00 0.00 C ATOM 835 C GLY A 54 111.577 103.189 -30.971 1.00 0.00 C ATOM 836 O GLY A 54 111.800 103.479 -29.804 1.00 0.00 O ATOM 0 H GLY A 54 110.260 101.297 -33.230 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.749 101.264 -30.476 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.953 101.217 -31.749 1.00 0.00 H new ATOM 840 N VAL A 55 111.738 104.033 -32.001 1.00 0.00 N ATOM 841 CA VAL A 55 112.272 105.360 -31.738 1.00 0.00 C ATOM 842 C VAL A 55 111.290 106.242 -30.926 1.00 0.00 C ATOM 843 O VAL A 55 111.703 107.034 -30.087 1.00 0.00 O ATOM 844 CB VAL A 55 112.665 106.017 -33.062 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.439 106.512 -33.807 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.667 107.147 -32.850 1.00 0.00 C ATOM 0 H VAL A 55 111.516 103.828 -32.975 1.00 0.00 H new ATOM 0 HA VAL A 55 113.160 105.257 -31.114 1.00 0.00 H new ATOM 0 HB VAL A 55 113.151 105.257 -33.674 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.746 106.975 -34.745 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.777 105.672 -34.016 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.913 107.245 -33.195 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.924 107.591 -33.812 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.227 107.908 -32.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.568 106.751 -32.381 1.00 0.00 H new ATOM 856 N LEU A 56 109.981 106.067 -31.213 1.00 0.00 N ATOM 857 CA LEU A 56 108.976 106.556 -30.275 1.00 0.00 C ATOM 858 C LEU A 56 109.209 105.981 -28.857 1.00 0.00 C ATOM 859 O LEU A 56 109.227 106.700 -27.869 1.00 0.00 O ATOM 860 CB LEU A 56 107.614 106.073 -30.787 1.00 0.00 C ATOM 861 CG LEU A 56 106.986 106.958 -31.870 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.008 107.726 -32.708 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.128 106.101 -32.791 1.00 0.00 C ATOM 0 H LEU A 56 109.618 105.611 -32.050 1.00 0.00 H new ATOM 0 HA LEU A 56 109.028 107.643 -30.210 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.727 105.064 -31.182 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.926 106.010 -29.944 1.00 0.00 H new ATOM 0 HG LEU A 56 106.385 107.703 -31.348 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.488 108.329 -33.452 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.595 108.376 -32.060 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.670 107.021 -33.210 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.681 106.730 -33.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.749 105.338 -33.260 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.339 105.621 -32.211 1.00 0.00 H new ATOM 875 N ILE A 57 109.418 104.653 -28.822 1.00 0.00 N ATOM 876 CA ILE A 57 109.520 103.995 -27.524 1.00 0.00 C ATOM 877 C ILE A 57 110.727 104.503 -26.705 1.00 0.00 C ATOM 878 O ILE A 57 110.629 104.731 -25.505 1.00 0.00 O ATOM 879 CB ILE A 57 109.629 102.483 -27.732 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.418 101.947 -28.512 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.864 101.756 -26.403 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.483 101.043 -27.710 1.00 0.00 C ATOM 0 H ILE A 57 109.514 104.047 -29.637 1.00 0.00 H new ATOM 0 HA ILE A 57 108.621 104.234 -26.955 1.00 0.00 H new ATOM 0 HB ILE A 57 110.505 102.278 -28.347 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.845 102.793 -28.890 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.779 101.394 -29.379 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.937 100.683 -26.583 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.790 102.112 -25.952 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.032 101.955 -25.728 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.660 100.716 -28.345 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.035 100.173 -27.354 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.086 101.595 -26.858 1.00 0.00 H new ATOM 894 N LYS A 58 111.856 104.663 -27.421 1.00 0.00 N ATOM 895 CA LYS A 58 113.106 104.988 -26.752 1.00 0.00 C ATOM 896 C LYS A 58 113.118 106.436 -26.199 1.00 0.00 C ATOM 897 O LYS A 58 113.839 106.748 -25.259 1.00 0.00 O ATOM 898 CB LYS A 58 114.257 104.744 -27.731 1.00 0.00 C ATOM 899 CG LYS A 58 114.444 105.885 -28.726 1.00 0.00 C ATOM 900 CD LYS A 58 115.525 106.866 -28.274 1.00 0.00 C ATOM 901 CE LYS A 58 115.851 107.897 -29.359 1.00 0.00 C ATOM 902 NZ LYS A 58 115.777 109.273 -28.881 1.00 0.00 N ATOM 0 H LYS A 58 111.918 104.573 -28.435 1.00 0.00 H new ATOM 0 HA LYS A 58 113.223 104.342 -25.882 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.181 104.604 -27.170 1.00 0.00 H new ATOM 0 HB3 LYS A 58 114.072 103.819 -28.277 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.710 105.476 -29.701 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.501 106.417 -28.850 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.194 107.381 -27.372 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.429 106.315 -28.013 1.00 0.00 H new ATOM 0 HE2 LYS A 58 116.853 107.706 -29.744 1.00 0.00 H new ATOM 0 HE3 LYS A 58 115.159 107.770 -30.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 115.702 109.919 -29.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 114.941 109.384 -28.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 116.634 109.498 -28.337 1.00 0.00 H new ATOM 916 N LYS A 59 112.284 107.286 -26.833 1.00 0.00 N ATOM 917 CA LYS A 59 111.940 108.564 -26.245 1.00 0.00 C ATOM 918 C LYS A 59 110.961 108.385 -25.069 1.00 0.00 C ATOM 919 O LYS A 59 111.178 108.895 -23.976 1.00 0.00 O ATOM 920 CB LYS A 59 111.291 109.407 -27.340 1.00 0.00 C ATOM 921 CG LYS A 59 112.262 109.705 -28.482 1.00 0.00 C ATOM 922 CD LYS A 59 111.546 110.307 -29.686 1.00 0.00 C ATOM 923 CE LYS A 59 112.403 111.380 -30.358 1.00 0.00 C ATOM 924 NZ LYS A 59 112.017 112.731 -29.969 1.00 0.00 N ATOM 0 H LYS A 59 111.850 107.100 -27.737 1.00 0.00 H new ATOM 0 HA LYS A 59 112.834 109.049 -25.854 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.419 108.883 -27.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.934 110.344 -26.913 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.032 110.393 -28.135 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.767 108.786 -28.780 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.313 109.521 -30.404 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.598 110.741 -29.369 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.450 111.217 -30.101 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.321 111.280 -31.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.219 113.388 -30.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.000 112.753 -29.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.557 113.017 -29.127 1.00 0.00 H new ATOM 938 N GLY A 60 109.880 107.634 -25.361 1.00 0.00 N ATOM 939 CA GLY A 60 108.555 108.177 -25.188 1.00 0.00 C ATOM 940 C GLY A 60 108.278 109.165 -26.317 1.00 0.00 C ATOM 941 O GLY A 60 108.713 110.310 -26.291 1.00 0.00 O ATOM 0 H GLY A 60 109.914 106.675 -25.708 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.815 107.377 -25.197 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.474 108.675 -24.222 1.00 0.00 H new ATOM 945 N LEU A 61 107.538 108.633 -27.304 1.00 0.00 N ATOM 946 CA LEU A 61 106.155 108.291 -27.078 1.00 0.00 C ATOM 947 C LEU A 61 105.771 107.253 -28.127 1.00 0.00 C ATOM 948 O LEU A 61 105.425 107.563 -29.261 1.00 0.00 O ATOM 949 CB LEU A 61 105.327 109.551 -27.337 1.00 0.00 C ATOM 950 CG LEU A 61 105.732 110.369 -28.580 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.585 111.270 -29.000 1.00 0.00 C ATOM 952 CD2 LEU A 61 106.984 111.213 -28.363 1.00 0.00 C ATOM 0 H LEU A 61 107.881 108.439 -28.245 1.00 0.00 H new ATOM 0 HA LEU A 61 105.990 107.913 -26.069 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.281 109.262 -27.439 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.396 110.196 -26.461 1.00 0.00 H new ATOM 0 HG LEU A 61 105.963 109.649 -29.365 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.877 111.845 -29.879 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.713 110.661 -29.238 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.340 111.951 -28.185 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.214 111.763 -29.275 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.812 111.916 -27.548 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.822 110.563 -28.110 1.00 0.00 H new ATOM 964 N VAL A 62 105.826 105.997 -27.670 1.00 0.00 N ATOM 965 CA VAL A 62 104.713 105.153 -27.314 1.00 0.00 C ATOM 966 C VAL A 62 105.171 104.238 -26.168 1.00 0.00 C ATOM 967 O VAL A 62 106.342 103.896 -26.062 1.00 0.00 O ATOM 968 CB VAL A 62 104.308 104.347 -28.541 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.446 103.448 -29.010 1.00 0.00 C ATOM 970 CG2 VAL A 62 103.040 103.535 -28.292 1.00 0.00 C ATOM 0 H VAL A 62 106.719 105.524 -27.535 1.00 0.00 H new ATOM 0 HA VAL A 62 103.850 105.732 -26.985 1.00 0.00 H new ATOM 0 HB VAL A 62 104.089 105.060 -29.336 1.00 0.00 H new ATOM 0 HG11 VAL A 62 105.127 102.885 -29.887 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.311 104.060 -29.266 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.715 102.755 -28.212 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.785 102.974 -29.191 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.208 102.842 -27.468 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.221 104.208 -28.039 1.00 0.00 H new ATOM 980 N GLU A 63 104.195 103.862 -25.323 1.00 0.00 N ATOM 981 CA GLU A 63 104.470 102.844 -24.316 1.00 0.00 C ATOM 982 C GLU A 63 103.847 101.502 -24.736 1.00 0.00 C ATOM 983 O GLU A 63 102.653 101.386 -24.976 1.00 0.00 O ATOM 984 CB GLU A 63 103.894 103.272 -22.968 1.00 0.00 C ATOM 985 CG GLU A 63 104.836 104.212 -22.216 1.00 0.00 C ATOM 986 CD GLU A 63 104.078 104.908 -21.084 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.930 105.295 -21.298 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.644 105.057 -20.003 1.00 0.00 O ATOM 0 H GLU A 63 103.246 104.236 -25.320 1.00 0.00 H new ATOM 0 HA GLU A 63 105.550 102.726 -24.226 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.936 103.767 -23.124 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.701 102.389 -22.359 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.678 103.651 -21.811 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.247 104.954 -22.901 1.00 0.00 H new ATOM 995 N LYS A 64 104.733 100.494 -24.789 1.00 0.00 N ATOM 996 CA LYS A 64 104.287 99.177 -25.174 1.00 0.00 C ATOM 997 C LYS A 64 103.646 98.482 -23.968 1.00 0.00 C ATOM 998 O LYS A 64 104.282 98.218 -22.954 1.00 0.00 O ATOM 999 CB LYS A 64 105.486 98.384 -25.680 1.00 0.00 C ATOM 1000 CG LYS A 64 105.141 96.919 -25.922 1.00 0.00 C ATOM 1001 CD LYS A 64 105.644 96.018 -24.795 1.00 0.00 C ATOM 1002 CE LYS A 64 107.046 95.476 -25.080 1.00 0.00 C ATOM 1003 NZ LYS A 64 107.830 95.296 -23.864 1.00 0.00 N ATOM 0 H LYS A 64 105.727 100.575 -24.575 1.00 0.00 H new ATOM 0 HA LYS A 64 103.542 99.244 -25.967 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.850 98.829 -26.606 1.00 0.00 H new ATOM 0 HB3 LYS A 64 106.297 98.450 -24.955 1.00 0.00 H new ATOM 0 HG2 LYS A 64 104.060 96.812 -26.017 1.00 0.00 H new ATOM 0 HG3 LYS A 64 105.577 96.595 -26.867 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.655 96.578 -23.860 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.953 95.185 -24.660 1.00 0.00 H new ATOM 0 HE2 LYS A 64 106.965 94.522 -25.601 1.00 0.00 H new ATOM 0 HE3 LYS A 64 107.569 96.161 -25.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 108.771 94.927 -24.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 107.932 96.210 -23.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 107.347 94.622 -23.236 1.00 0.00 H new ATOM 1017 N SER A 65 102.342 98.209 -24.160 1.00 0.00 N ATOM 1018 CA SER A 65 101.566 97.542 -23.123 1.00 0.00 C ATOM 1019 C SER A 65 101.153 96.155 -23.618 1.00 0.00 C ATOM 1020 O SER A 65 100.269 96.018 -24.455 1.00 0.00 O ATOM 1021 CB SER A 65 100.279 98.348 -22.876 1.00 0.00 C ATOM 1022 OG SER A 65 99.345 97.758 -21.978 1.00 0.00 O ATOM 0 H SER A 65 101.822 98.438 -25.007 1.00 0.00 H new ATOM 0 HA SER A 65 102.162 97.464 -22.214 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.555 99.330 -22.491 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.783 98.509 -23.833 1.00 0.00 H new ATOM 0 HG SER A 65 98.599 97.376 -22.486 1.00 0.00 H new ATOM 1028 N GLY A 66 101.828 95.140 -23.045 1.00 0.00 N ATOM 1029 CA GLY A 66 102.551 94.210 -23.898 1.00 0.00 C ATOM 1030 C GLY A 66 101.795 92.886 -24.016 1.00 0.00 C ATOM 1031 O GLY A 66 102.027 91.940 -23.273 1.00 0.00 O ATOM 0 H GLY A 66 101.882 94.957 -22.043 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.687 94.647 -24.888 1.00 0.00 H new ATOM 0 HA3 GLY A 66 103.546 94.032 -23.489 1.00 0.00 H new ATOM 1035 N ASP A 67 100.879 92.891 -25.001 1.00 0.00 N ATOM 1036 CA ASP A 67 101.310 92.836 -26.388 1.00 0.00 C ATOM 1037 C ASP A 67 100.300 93.564 -27.280 1.00 0.00 C ATOM 1038 O ASP A 67 99.671 92.975 -28.151 1.00 0.00 O ATOM 1039 CB ASP A 67 101.446 91.377 -26.826 1.00 0.00 C ATOM 1040 CG ASP A 67 102.836 90.854 -26.456 1.00 0.00 C ATOM 1041 OD1 ASP A 67 103.115 90.719 -25.265 1.00 0.00 O ATOM 1042 OD2 ASP A 67 103.623 90.586 -27.363 1.00 0.00 O ATOM 0 H ASP A 67 99.870 92.931 -24.859 1.00 0.00 H new ATOM 0 HA ASP A 67 102.278 93.328 -26.483 1.00 0.00 H new ATOM 0 HB2 ASP A 67 100.679 90.770 -26.345 1.00 0.00 H new ATOM 0 HB3 ASP A 67 101.290 91.294 -27.902 1.00 0.00 H new ATOM 1047 N GLY A 68 100.183 94.877 -26.997 1.00 0.00 N ATOM 1048 CA GLY A 68 100.158 95.862 -28.056 1.00 0.00 C ATOM 1049 C GLY A 68 100.747 97.183 -27.566 1.00 0.00 C ATOM 1050 O GLY A 68 101.021 97.378 -26.388 1.00 0.00 O ATOM 0 H GLY A 68 100.106 95.259 -26.054 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.725 95.499 -28.913 1.00 0.00 H new ATOM 0 HA3 GLY A 68 99.133 96.016 -28.394 1.00 0.00 H new ATOM 1054 N LEU A 69 100.921 98.072 -28.563 1.00 0.00 N ATOM 1055 CA LEU A 69 101.611 99.324 -28.326 1.00 0.00 C ATOM 1056 C LEU A 69 100.562 100.418 -28.150 1.00 0.00 C ATOM 1057 O LEU A 69 99.557 100.454 -28.848 1.00 0.00 O ATOM 1058 CB LEU A 69 102.523 99.622 -29.523 1.00 0.00 C ATOM 1059 CG LEU A 69 103.505 98.482 -29.825 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.752 99.023 -30.510 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.909 97.665 -28.596 1.00 0.00 C ATOM 0 H LEU A 69 100.594 97.937 -29.520 1.00 0.00 H new ATOM 0 HA LEU A 69 102.228 99.273 -27.429 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.909 99.808 -30.404 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.084 100.536 -29.327 1.00 0.00 H new ATOM 0 HG LEU A 69 102.970 97.802 -30.488 1.00 0.00 H new ATOM 0 HD11 LEU A 69 105.438 98.202 -30.717 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.472 99.507 -31.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 105.240 99.748 -29.858 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.604 96.880 -28.893 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.389 98.318 -27.867 1.00 0.00 H new ATOM 0 HD23 LEU A 69 103.022 97.215 -28.151 1.00 0.00 H new ATOM 1073 N ILE A 70 100.845 101.303 -27.172 1.00 0.00 N ATOM 1074 CA ILE A 70 99.881 102.360 -26.935 1.00 0.00 C ATOM 1075 C ILE A 70 100.583 103.562 -26.327 1.00 0.00 C ATOM 1076 O ILE A 70 101.559 103.445 -25.602 1.00 0.00 O ATOM 1077 CB ILE A 70 98.809 101.891 -25.959 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.411 101.393 -24.650 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.957 100.795 -26.575 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.350 101.346 -23.551 1.00 0.00 C ATOM 0 H ILE A 70 101.675 101.302 -26.579 1.00 0.00 H new ATOM 0 HA ILE A 70 99.422 102.626 -27.887 1.00 0.00 H new ATOM 0 HB ILE A 70 98.182 102.755 -25.740 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.837 100.400 -24.794 1.00 0.00 H new ATOM 0 HG13 ILE A 70 100.227 102.049 -24.347 1.00 0.00 H new ATOM 0 HG21 ILE A 70 97.199 100.477 -25.859 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.470 101.174 -27.474 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.589 99.946 -26.835 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.801 100.988 -22.625 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.944 102.345 -23.394 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.547 100.671 -23.849 1.00 0.00 H new ATOM 1092 N ILE A 71 100.011 104.729 -26.651 1.00 0.00 N ATOM 1093 CA ILE A 71 100.822 105.921 -26.557 1.00 0.00 C ATOM 1094 C ILE A 71 100.659 106.559 -25.180 1.00 0.00 C ATOM 1095 O ILE A 71 99.693 106.335 -24.460 1.00 0.00 O ATOM 1096 CB ILE A 71 100.428 106.879 -27.673 1.00 0.00 C ATOM 1097 CG1 ILE A 71 98.967 107.315 -27.507 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.716 106.226 -29.031 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.509 108.363 -28.522 1.00 0.00 C ATOM 0 H ILE A 71 99.048 104.860 -26.961 1.00 0.00 H new ATOM 0 HA ILE A 71 101.876 105.668 -26.675 1.00 0.00 H new ATOM 0 HB ILE A 71 101.026 107.789 -27.621 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.325 106.438 -27.592 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.830 107.714 -26.502 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.434 106.911 -29.831 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.779 105.997 -29.107 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.139 105.305 -29.122 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.465 108.617 -28.337 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.124 109.258 -28.424 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.611 107.962 -29.530 1.00 0.00 H new ATOM 1111 N THR A 72 101.687 107.368 -24.888 1.00 0.00 N ATOM 1112 CA THR A 72 101.712 108.110 -23.645 1.00 0.00 C ATOM 1113 C THR A 72 100.784 109.323 -23.765 1.00 0.00 C ATOM 1114 O THR A 72 100.201 109.598 -24.808 1.00 0.00 O ATOM 1115 CB THR A 72 103.140 108.615 -23.399 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.431 109.721 -24.226 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.221 107.544 -23.587 1.00 0.00 C ATOM 0 H THR A 72 102.495 107.516 -25.493 1.00 0.00 H new ATOM 0 HA THR A 72 101.388 107.468 -22.826 1.00 0.00 H new ATOM 0 HB THR A 72 103.163 108.910 -22.350 1.00 0.00 H new ATOM 0 HG1 THR A 72 103.957 109.423 -24.997 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.202 107.979 -23.395 1.00 0.00 H new ATOM 0 HG22 THR A 72 104.046 106.724 -22.891 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.185 107.166 -24.609 1.00 0.00 H new ATOM 1125 N GLY A 73 100.690 110.027 -22.624 1.00 0.00 N ATOM 1126 CA GLY A 73 100.167 111.386 -22.686 1.00 0.00 C ATOM 1127 C GLY A 73 100.893 112.280 -23.715 1.00 0.00 C ATOM 1128 O GLY A 73 100.265 113.089 -24.387 1.00 0.00 O ATOM 0 H GLY A 73 100.956 109.694 -21.697 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.106 111.348 -22.935 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.247 111.843 -21.700 1.00 0.00 H new ATOM 1132 N GLU A 74 102.233 112.105 -23.810 1.00 0.00 N ATOM 1133 CA GLU A 74 102.979 112.999 -24.687 1.00 0.00 C ATOM 1134 C GLU A 74 102.446 112.959 -26.130 1.00 0.00 C ATOM 1135 O GLU A 74 102.168 113.991 -26.725 1.00 0.00 O ATOM 1136 CB GLU A 74 104.473 112.670 -24.670 1.00 0.00 C ATOM 1137 CG GLU A 74 105.043 112.664 -23.252 1.00 0.00 C ATOM 1138 CD GLU A 74 105.152 111.234 -22.715 1.00 0.00 C ATOM 1139 OE1 GLU A 74 105.826 110.420 -23.347 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.564 110.951 -21.673 1.00 0.00 O ATOM 0 H GLU A 74 102.779 111.397 -23.319 1.00 0.00 H new ATOM 0 HA GLU A 74 102.839 114.009 -24.303 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.635 111.695 -25.130 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.012 113.400 -25.274 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.026 113.134 -23.249 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.404 113.256 -22.596 1.00 0.00 H new ATOM 1147 N ALA A 75 102.295 111.719 -26.642 1.00 0.00 N ATOM 1148 CA ALA A 75 101.644 111.567 -27.938 1.00 0.00 C ATOM 1149 C ALA A 75 100.234 112.176 -27.930 1.00 0.00 C ATOM 1150 O ALA A 75 99.881 112.944 -28.812 1.00 0.00 O ATOM 1151 CB ALA A 75 101.547 110.082 -28.305 1.00 0.00 C ATOM 0 H ALA A 75 102.602 110.854 -26.196 1.00 0.00 H new ATOM 0 HA ALA A 75 102.247 112.095 -28.676 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.059 109.978 -29.274 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.548 109.653 -28.354 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.964 109.557 -27.548 1.00 0.00 H new ATOM 1157 N GLN A 76 99.465 111.825 -26.884 1.00 0.00 N ATOM 1158 CA GLN A 76 98.064 112.233 -26.880 1.00 0.00 C ATOM 1159 C GLN A 76 97.881 113.761 -27.073 1.00 0.00 C ATOM 1160 O GLN A 76 96.934 114.201 -27.713 1.00 0.00 O ATOM 1161 CB GLN A 76 97.415 111.765 -25.579 1.00 0.00 C ATOM 1162 CG GLN A 76 96.701 110.432 -25.787 1.00 0.00 C ATOM 1163 CD GLN A 76 95.495 110.625 -26.710 1.00 0.00 C ATOM 1164 OE1 GLN A 76 95.061 111.738 -26.982 1.00 0.00 O ATOM 1165 NE2 GLN A 76 94.990 109.465 -27.166 1.00 0.00 N ATOM 0 H GLN A 76 99.775 111.288 -26.074 1.00 0.00 H new ATOM 0 HA GLN A 76 97.573 111.763 -27.732 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.174 111.660 -24.804 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.704 112.514 -25.230 1.00 0.00 H new ATOM 0 HG2 GLN A 76 97.388 109.705 -26.220 1.00 0.00 H new ATOM 0 HG3 GLN A 76 96.375 110.031 -24.827 1.00 0.00 H new ATOM 0 HE21 GLN A 76 95.414 108.580 -26.889 1.00 0.00 H new ATOM 0 HE22 GLN A 76 94.183 109.470 -27.789 1.00 0.00 H new ATOM 1174 N ASP A 77 98.824 114.532 -26.496 1.00 0.00 N ATOM 1175 CA ASP A 77 98.818 115.966 -26.730 1.00 0.00 C ATOM 1176 C ASP A 77 99.145 116.299 -28.198 1.00 0.00 C ATOM 1177 O ASP A 77 98.497 117.132 -28.820 1.00 0.00 O ATOM 1178 CB ASP A 77 99.843 116.630 -25.813 1.00 0.00 C ATOM 1179 CG ASP A 77 99.474 118.099 -25.593 1.00 0.00 C ATOM 1180 OD1 ASP A 77 98.653 118.372 -24.719 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.011 118.950 -26.299 1.00 0.00 O ATOM 0 H ASP A 77 99.569 114.191 -25.888 1.00 0.00 H new ATOM 0 HA ASP A 77 97.819 116.344 -26.514 1.00 0.00 H new ATOM 0 HB2 ASP A 77 99.879 116.108 -24.857 1.00 0.00 H new ATOM 0 HB3 ASP A 77 100.838 116.558 -26.253 1.00 0.00 H new ATOM 1186 N ILE A 78 100.184 115.604 -28.708 1.00 0.00 N ATOM 1187 CA ILE A 78 100.635 115.885 -30.056 1.00 0.00 C ATOM 1188 C ILE A 78 99.533 115.581 -31.089 1.00 0.00 C ATOM 1189 O ILE A 78 99.270 116.374 -31.982 1.00 0.00 O ATOM 1190 CB ILE A 78 101.875 115.019 -30.323 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.074 115.393 -29.436 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.282 115.010 -31.800 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.032 116.813 -28.860 1.00 0.00 C ATOM 0 H ILE A 78 100.699 114.874 -28.216 1.00 0.00 H new ATOM 0 HA ILE A 78 100.878 116.943 -30.151 1.00 0.00 H new ATOM 0 HB ILE A 78 101.574 114.007 -30.053 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.132 114.683 -28.611 1.00 0.00 H new ATOM 0 HG13 ILE A 78 103.988 115.280 -30.019 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.164 114.383 -31.931 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.463 114.615 -32.401 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.509 116.027 -32.121 1.00 0.00 H new ATOM 0 HD11 ILE A 78 103.918 116.984 -28.249 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.008 117.536 -29.675 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.139 116.930 -28.245 1.00 0.00 H new ATOM 1205 N ILE A 79 98.925 114.391 -30.924 1.00 0.00 N ATOM 1206 CA ILE A 79 97.921 113.959 -31.876 1.00 0.00 C ATOM 1207 C ILE A 79 96.686 114.876 -31.867 1.00 0.00 C ATOM 1208 O ILE A 79 96.189 115.275 -32.913 1.00 0.00 O ATOM 1209 CB ILE A 79 97.458 112.548 -31.505 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.605 111.558 -31.272 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.471 112.027 -32.543 1.00 0.00 C ATOM 1212 CD1 ILE A 79 99.851 111.854 -32.104 1.00 0.00 C ATOM 0 H ILE A 79 99.112 113.740 -30.162 1.00 0.00 H new ATOM 0 HA ILE A 79 98.373 113.989 -32.867 1.00 0.00 H new ATOM 0 HB ILE A 79 96.955 112.630 -30.542 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.873 111.569 -30.216 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.256 110.551 -31.502 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.149 111.023 -32.267 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.604 112.687 -32.584 1.00 0.00 H new ATOM 0 HG23 ILE A 79 96.952 111.998 -33.521 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.619 111.112 -31.885 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.599 111.814 -33.164 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.226 112.847 -31.857 1.00 0.00 H new ATOM 1224 N SER A 80 96.219 115.183 -30.640 1.00 0.00 N ATOM 1225 CA SER A 80 95.067 116.067 -30.542 1.00 0.00 C ATOM 1226 C SER A 80 95.333 117.437 -31.196 1.00 0.00 C ATOM 1227 O SER A 80 94.524 117.942 -31.966 1.00 0.00 O ATOM 1228 CB SER A 80 94.716 116.256 -29.059 1.00 0.00 C ATOM 1229 OG SER A 80 94.690 115.067 -28.277 1.00 0.00 O ATOM 0 H SER A 80 96.603 114.849 -29.756 1.00 0.00 H new ATOM 0 HA SER A 80 94.235 115.610 -31.078 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.438 116.944 -28.618 1.00 0.00 H new ATOM 0 HB3 SER A 80 93.739 116.734 -28.993 1.00 0.00 H new ATOM 0 HG SER A 80 95.486 115.034 -27.706 1.00 0.00 H new ATOM 1235 N ASN A 81 96.508 117.998 -30.852 1.00 0.00 N ATOM 1236 CA ASN A 81 96.848 119.282 -31.447 1.00 0.00 C ATOM 1237 C ASN A 81 97.024 119.172 -32.975 1.00 0.00 C ATOM 1238 O ASN A 81 96.536 120.000 -33.734 1.00 0.00 O ATOM 1239 CB ASN A 81 98.138 119.821 -30.821 1.00 0.00 C ATOM 1240 CG ASN A 81 98.087 121.349 -30.760 1.00 0.00 C ATOM 1241 OD1 ASN A 81 97.994 121.919 -31.974 1.00 0.00 O flip ATOM 1242 ND2 ASN A 81 98.129 121.956 -29.697 1.00 0.00 N flip ATOM 0 H ASN A 81 97.192 117.605 -30.206 1.00 0.00 H new ATOM 0 HA ASN A 81 96.024 119.968 -31.249 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.265 119.412 -29.819 1.00 0.00 H new ATOM 0 HB3 ASN A 81 98.999 119.500 -31.407 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.200 121.442 -28.819 1.00 0.00 H new ATOM 0 HD22 ASN A 81 98.093 122.975 -29.690 1.00 0.00 H new ATOM 1249 N ALA A 82 97.754 118.114 -33.373 1.00 0.00 N ATOM 1250 CA ALA A 82 98.132 118.007 -34.770 1.00 0.00 C ATOM 1251 C ALA A 82 96.911 117.793 -35.678 1.00 0.00 C ATOM 1252 O ALA A 82 96.771 118.443 -36.704 1.00 0.00 O ATOM 1253 CB ALA A 82 99.110 116.857 -34.950 1.00 0.00 C ATOM 0 H ALA A 82 98.076 117.358 -32.768 1.00 0.00 H new ATOM 0 HA ALA A 82 98.603 118.947 -35.060 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.392 116.780 -36.000 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.000 117.039 -34.348 1.00 0.00 H new ATOM 0 HB3 ALA A 82 98.640 115.927 -34.631 1.00 0.00 H new