USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 120:sc= -0.65 USER MOD Single : A 12 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.24) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= -0.654 (180deg=-0.866) USER MOD Single : A 19 THR OG1 : rot -139:sc= -0.762 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 59:sc= 0.275 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.17) USER MOD Single : A 33 THR OG1 : rot -73:sc= -1.93! USER MOD Single : A 46 ASN : amide:sc= -4.68! K(o=-4.7!,f=-1.2) USER MOD Single : A 50 ASN : amide:sc=-0.00213 X(o=-0.0021,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -3.9 K(o=-3.9,f=-1.9) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= -1.56 (180deg=-1.78) USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= -0.126 (180deg=-0.758) USER MOD Single : A 65 SER OG : rot -110:sc= 1.39 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00459 USER MOD Single : A 76 GLN : amide:sc=-0.00572 X(o=-0.0057,f=0) USER MOD Single : A 80 SER OG : rot 100:sc= 1.14 USER MOD Single : A 81 ASN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 101.161 114.037 -41.610 1.00 0.00 N ATOM 54 CA VAL A 4 102.293 113.724 -40.755 1.00 0.00 C ATOM 55 C VAL A 4 103.199 114.943 -40.499 1.00 0.00 C ATOM 56 O VAL A 4 103.711 115.132 -39.405 1.00 0.00 O ATOM 57 CB VAL A 4 103.106 112.598 -41.378 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.262 111.328 -41.510 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.704 113.029 -42.712 1.00 0.00 C ATOM 0 HA VAL A 4 101.894 113.414 -39.789 1.00 0.00 H new ATOM 0 HB VAL A 4 103.939 112.366 -40.714 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.863 110.537 -41.958 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.923 111.012 -40.523 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.398 111.530 -42.143 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.280 112.206 -43.135 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.903 113.302 -43.399 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.358 113.887 -42.557 1.00 0.00 H new ATOM 69 N THR A 5 103.390 115.755 -41.552 1.00 0.00 N ATOM 70 CA THR A 5 104.239 116.919 -41.353 1.00 0.00 C ATOM 71 C THR A 5 103.721 117.858 -40.237 1.00 0.00 C ATOM 72 O THR A 5 104.502 118.416 -39.478 1.00 0.00 O ATOM 73 CB THR A 5 104.520 117.626 -42.680 1.00 0.00 C ATOM 74 OG1 THR A 5 105.736 118.341 -42.632 1.00 0.00 O ATOM 75 CG2 THR A 5 103.371 118.518 -43.136 1.00 0.00 C ATOM 0 H THR A 5 102.995 115.635 -42.485 1.00 0.00 H new ATOM 0 HA THR A 5 105.202 116.567 -40.982 1.00 0.00 H new ATOM 0 HB THR A 5 104.615 116.841 -43.431 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.891 118.781 -43.494 1.00 0.00 H new ATOM 0 HG21 THR A 5 103.631 118.991 -44.083 1.00 0.00 H new ATOM 0 HG22 THR A 5 102.472 117.915 -43.267 1.00 0.00 H new ATOM 0 HG23 THR A 5 103.187 119.286 -42.385 1.00 0.00 H new ATOM 83 N TYR A 6 102.381 118.010 -40.183 1.00 0.00 N ATOM 84 CA TYR A 6 101.804 118.677 -39.022 1.00 0.00 C ATOM 85 C TYR A 6 102.149 117.958 -37.700 1.00 0.00 C ATOM 86 O TYR A 6 102.373 118.603 -36.685 1.00 0.00 O ATOM 87 CB TYR A 6 100.280 118.768 -39.147 1.00 0.00 C ATOM 88 CG TYR A 6 99.845 119.772 -40.183 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.277 121.120 -40.090 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.992 119.395 -41.252 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.867 122.076 -41.051 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.582 120.347 -42.219 1.00 0.00 C ATOM 93 CZ TYR A 6 99.032 121.685 -42.126 1.00 0.00 C ATOM 94 OH TYR A 6 98.665 122.605 -43.086 1.00 0.00 O ATOM 0 H TYR A 6 101.719 117.696 -40.892 1.00 0.00 H new ATOM 0 HA TYR A 6 102.239 119.676 -38.997 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.881 117.787 -39.406 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.855 119.040 -38.181 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.924 121.420 -39.279 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.652 118.373 -41.330 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.191 123.103 -40.964 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.927 120.051 -43.025 1.00 0.00 H new ATOM 0 HH TYR A 6 98.092 122.172 -43.752 1.00 0.00 H new ATOM 104 N ILE A 7 102.163 116.609 -37.753 1.00 0.00 N ATOM 105 CA ILE A 7 102.556 115.856 -36.566 1.00 0.00 C ATOM 106 C ILE A 7 103.995 116.193 -36.126 1.00 0.00 C ATOM 107 O ILE A 7 104.272 116.390 -34.948 1.00 0.00 O ATOM 108 CB ILE A 7 102.411 114.354 -36.823 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.020 114.025 -37.366 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.702 113.553 -35.554 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.930 114.513 -36.418 1.00 0.00 C ATOM 0 H ILE A 7 101.917 116.049 -38.569 1.00 0.00 H new ATOM 0 HA ILE A 7 101.890 116.145 -35.752 1.00 0.00 H new ATOM 0 HB ILE A 7 103.144 114.070 -37.578 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.889 114.488 -38.344 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.927 112.948 -37.508 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.592 112.489 -35.762 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.720 113.755 -35.222 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.001 113.844 -34.772 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.952 114.265 -36.830 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.048 114.030 -35.448 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.010 115.593 -36.297 1.00 0.00 H new ATOM 123 N ILE A 8 104.884 116.246 -37.137 1.00 0.00 N ATOM 124 CA ILE A 8 106.244 116.709 -36.911 1.00 0.00 C ATOM 125 C ILE A 8 106.258 118.119 -36.284 1.00 0.00 C ATOM 126 O ILE A 8 106.923 118.368 -35.287 1.00 0.00 O ATOM 127 CB ILE A 8 106.996 116.738 -38.249 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.956 115.386 -38.972 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.440 117.193 -38.042 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.315 115.511 -40.455 1.00 0.00 C ATOM 0 H ILE A 8 104.678 115.976 -38.099 1.00 0.00 H new ATOM 0 HA ILE A 8 106.731 116.023 -36.218 1.00 0.00 H new ATOM 0 HB ILE A 8 106.484 117.457 -38.888 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.649 114.697 -38.489 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.960 114.954 -38.876 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.958 117.208 -39.001 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.448 118.194 -37.610 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.946 116.503 -37.367 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.273 114.528 -40.924 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.606 116.178 -40.946 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.322 115.917 -40.553 1.00 0.00 H new ATOM 142 N LYS A 9 105.483 119.013 -36.932 1.00 0.00 N ATOM 143 CA LYS A 9 105.371 120.382 -36.455 1.00 0.00 C ATOM 144 C LYS A 9 104.926 120.442 -34.981 1.00 0.00 C ATOM 145 O LYS A 9 105.543 121.102 -34.153 1.00 0.00 O ATOM 146 CB LYS A 9 104.326 121.090 -37.315 1.00 0.00 C ATOM 147 CG LYS A 9 104.427 122.612 -37.222 1.00 0.00 C ATOM 148 CD LYS A 9 104.762 123.245 -38.573 1.00 0.00 C ATOM 149 CE LYS A 9 103.520 123.415 -39.447 1.00 0.00 C ATOM 150 NZ LYS A 9 103.824 124.040 -40.729 1.00 0.00 N ATOM 0 H LYS A 9 104.940 118.805 -37.770 1.00 0.00 H new ATOM 0 HA LYS A 9 106.348 120.861 -36.526 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.447 120.784 -38.354 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.330 120.775 -37.004 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.484 123.017 -36.855 1.00 0.00 H new ATOM 0 HG3 LYS A 9 105.193 122.881 -36.495 1.00 0.00 H new ATOM 0 HD2 LYS A 9 105.229 124.217 -38.413 1.00 0.00 H new ATOM 0 HD3 LYS A 9 105.490 122.624 -39.094 1.00 0.00 H new ATOM 0 HE2 LYS A 9 103.065 122.440 -39.620 1.00 0.00 H new ATOM 0 HE3 LYS A 9 102.785 124.020 -38.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 102.950 124.134 -41.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 104.234 124.982 -40.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 104.505 123.451 -41.250 1.00 0.00 H new ATOM 164 N ALA A 10 103.823 119.715 -34.713 1.00 0.00 N ATOM 165 CA ALA A 10 103.193 119.829 -33.408 1.00 0.00 C ATOM 166 C ALA A 10 104.073 119.216 -32.308 1.00 0.00 C ATOM 167 O ALA A 10 104.270 119.808 -31.254 1.00 0.00 O ATOM 168 CB ALA A 10 101.816 119.155 -33.414 1.00 0.00 C ATOM 0 H ALA A 10 103.373 119.070 -35.363 1.00 0.00 H new ATOM 0 HA ALA A 10 103.068 120.890 -33.193 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.360 119.251 -32.429 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.179 119.635 -34.157 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.929 118.099 -33.661 1.00 0.00 H new ATOM 174 N SER A 11 104.593 118.002 -32.604 1.00 0.00 N ATOM 175 CA SER A 11 105.571 117.419 -31.697 1.00 0.00 C ATOM 176 C SER A 11 106.713 118.395 -31.346 1.00 0.00 C ATOM 177 O SER A 11 107.094 118.550 -30.193 1.00 0.00 O ATOM 178 CB SER A 11 106.171 116.151 -32.326 1.00 0.00 C ATOM 179 OG SER A 11 107.311 115.632 -31.650 1.00 0.00 O ATOM 0 H SER A 11 104.359 117.442 -33.424 1.00 0.00 H new ATOM 0 HA SER A 11 105.044 117.180 -30.773 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.402 115.379 -32.358 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.446 116.369 -33.358 1.00 0.00 H new ATOM 0 HG SER A 11 107.124 114.719 -31.346 1.00 0.00 H new ATOM 185 N ASN A 12 107.219 119.019 -32.434 1.00 0.00 N ATOM 186 CA ASN A 12 108.199 120.102 -32.406 1.00 0.00 C ATOM 187 C ASN A 12 109.520 119.632 -33.021 1.00 0.00 C ATOM 188 O ASN A 12 110.559 119.600 -32.375 1.00 0.00 O ATOM 189 CB ASN A 12 108.446 120.660 -31.000 1.00 0.00 C ATOM 190 CG ASN A 12 109.331 121.906 -31.081 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.494 121.899 -30.694 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.697 122.968 -31.608 1.00 0.00 N ATOM 0 H ASN A 12 106.940 118.766 -33.382 1.00 0.00 H new ATOM 0 HA ASN A 12 107.779 120.916 -32.997 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.496 120.908 -30.526 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.925 119.903 -30.378 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.188 123.856 -31.711 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.725 122.886 -31.905 1.00 0.00 H new ATOM 199 N ASP A 13 109.399 119.271 -34.314 1.00 0.00 N ATOM 200 CA ASP A 13 110.568 118.801 -35.048 1.00 0.00 C ATOM 201 C ASP A 13 111.302 117.674 -34.297 1.00 0.00 C ATOM 202 O ASP A 13 112.511 117.716 -34.100 1.00 0.00 O ATOM 203 CB ASP A 13 111.524 119.968 -35.296 1.00 0.00 C ATOM 204 CG ASP A 13 112.345 119.706 -36.561 1.00 0.00 C ATOM 205 OD1 ASP A 13 111.755 119.350 -37.581 1.00 0.00 O ATOM 206 OD2 ASP A 13 113.564 119.859 -36.512 1.00 0.00 O ATOM 0 H ASP A 13 108.531 119.297 -34.848 1.00 0.00 H new ATOM 0 HA ASP A 13 110.224 118.395 -35.999 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.961 120.895 -35.403 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.188 120.095 -34.441 1.00 0.00 H new ATOM 211 N VAL A 14 110.494 116.671 -33.895 1.00 0.00 N ATOM 212 CA VAL A 14 111.040 115.354 -33.622 1.00 0.00 C ATOM 213 C VAL A 14 110.863 114.465 -34.858 1.00 0.00 C ATOM 214 O VAL A 14 111.824 114.031 -35.481 1.00 0.00 O ATOM 215 CB VAL A 14 110.312 114.758 -32.415 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.667 113.285 -32.204 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.622 115.555 -31.149 1.00 0.00 C ATOM 0 H VAL A 14 109.487 116.757 -33.759 1.00 0.00 H new ATOM 0 HA VAL A 14 112.104 115.422 -33.396 1.00 0.00 H new ATOM 0 HB VAL A 14 109.244 114.819 -32.624 1.00 0.00 H new ATOM 0 HG11 VAL A 14 110.129 112.902 -31.337 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.386 112.713 -33.088 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.740 113.190 -32.036 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.094 115.114 -30.303 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.695 115.533 -30.959 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.298 116.587 -31.281 1.00 0.00 H new ATOM 227 N LEU A 15 109.573 114.229 -35.165 1.00 0.00 N ATOM 228 CA LEU A 15 109.270 113.145 -36.079 1.00 0.00 C ATOM 229 C LEU A 15 109.855 113.461 -37.459 1.00 0.00 C ATOM 230 O LEU A 15 110.274 114.577 -37.748 1.00 0.00 O ATOM 231 CB LEU A 15 107.754 112.953 -36.216 1.00 0.00 C ATOM 232 CG LEU A 15 107.023 112.508 -34.941 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.501 111.155 -34.407 1.00 0.00 C ATOM 234 CD2 LEU A 15 107.078 113.570 -33.847 1.00 0.00 C ATOM 0 H LEU A 15 108.772 114.750 -34.809 1.00 0.00 H new ATOM 0 HA LEU A 15 109.709 112.230 -35.682 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.316 113.892 -36.555 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.568 112.215 -36.996 1.00 0.00 H new ATOM 0 HG LEU A 15 105.982 112.379 -35.238 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.943 110.902 -33.506 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.337 110.387 -35.163 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.564 111.212 -34.172 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.548 113.211 -32.965 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.117 113.773 -33.589 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.608 114.486 -34.205 1.00 0.00 H new ATOM 246 N ASN A 16 109.853 112.398 -38.284 1.00 0.00 N ATOM 247 CA ASN A 16 109.787 112.602 -39.724 1.00 0.00 C ATOM 248 C ASN A 16 108.315 112.527 -40.166 1.00 0.00 C ATOM 249 O ASN A 16 107.400 112.620 -39.357 1.00 0.00 O ATOM 250 CB ASN A 16 110.645 111.541 -40.429 1.00 0.00 C ATOM 251 CG ASN A 16 112.114 111.671 -40.018 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.601 110.982 -39.129 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.779 112.601 -40.727 1.00 0.00 N ATOM 0 H ASN A 16 109.895 111.424 -37.983 1.00 0.00 H new ATOM 0 HA ASN A 16 110.180 113.582 -39.995 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.279 110.545 -40.178 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.554 111.652 -41.510 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.766 112.775 -40.540 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.296 113.132 -41.452 1.00 0.00 H new ATOM 260 N GLU A 17 108.142 112.348 -41.492 1.00 0.00 N ATOM 261 CA GLU A 17 107.006 111.566 -41.966 1.00 0.00 C ATOM 262 C GLU A 17 106.905 110.201 -41.254 1.00 0.00 C ATOM 263 O GLU A 17 105.864 109.830 -40.728 1.00 0.00 O ATOM 264 CB GLU A 17 107.133 111.353 -43.476 1.00 0.00 C ATOM 265 CG GLU A 17 106.864 112.635 -44.264 1.00 0.00 C ATOM 266 CD GLU A 17 106.941 112.347 -45.765 1.00 0.00 C ATOM 267 OE1 GLU A 17 107.875 111.663 -46.184 1.00 0.00 O ATOM 268 OE2 GLU A 17 106.069 112.810 -46.498 1.00 0.00 O ATOM 0 H GLU A 17 108.752 112.721 -42.219 1.00 0.00 H new ATOM 0 HA GLU A 17 106.097 112.123 -41.737 1.00 0.00 H new ATOM 0 HB2 GLU A 17 108.134 110.990 -43.707 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.433 110.580 -43.792 1.00 0.00 H new ATOM 0 HG2 GLU A 17 105.880 113.029 -44.010 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.593 113.399 -43.993 1.00 0.00 H new ATOM 275 N LYS A 18 108.050 109.492 -41.279 1.00 0.00 N ATOM 276 CA LYS A 18 108.005 108.064 -41.007 1.00 0.00 C ATOM 277 C LYS A 18 107.541 107.769 -39.571 1.00 0.00 C ATOM 278 O LYS A 18 106.651 106.959 -39.345 1.00 0.00 O ATOM 279 CB LYS A 18 109.388 107.460 -41.242 1.00 0.00 C ATOM 280 CG LYS A 18 109.818 107.585 -42.700 1.00 0.00 C ATOM 281 CD LYS A 18 110.970 106.639 -43.030 1.00 0.00 C ATOM 282 CE LYS A 18 111.755 107.104 -44.258 1.00 0.00 C ATOM 283 NZ LYS A 18 112.224 105.993 -45.078 1.00 0.00 N ATOM 0 H LYS A 18 108.975 109.874 -41.477 1.00 0.00 H new ATOM 0 HA LYS A 18 107.280 107.613 -41.685 1.00 0.00 H new ATOM 0 HB2 LYS A 18 110.117 107.960 -40.604 1.00 0.00 H new ATOM 0 HB3 LYS A 18 109.380 106.409 -40.954 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.970 107.367 -43.350 1.00 0.00 H new ATOM 0 HG3 LYS A 18 110.120 108.612 -42.904 1.00 0.00 H new ATOM 0 HD2 LYS A 18 111.641 106.572 -42.174 1.00 0.00 H new ATOM 0 HD3 LYS A 18 110.578 105.637 -43.207 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.124 107.756 -44.862 1.00 0.00 H new ATOM 0 HE3 LYS A 18 112.610 107.698 -43.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 112.614 106.360 -45.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.963 105.471 -44.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 111.430 105.354 -45.285 1.00 0.00 H new ATOM 297 N THR A 19 108.186 108.473 -38.621 1.00 0.00 N ATOM 298 CA THR A 19 107.777 108.310 -37.233 1.00 0.00 C ATOM 299 C THR A 19 106.409 108.953 -36.925 1.00 0.00 C ATOM 300 O THR A 19 105.663 108.464 -36.085 1.00 0.00 O ATOM 301 CB THR A 19 108.854 108.884 -36.310 1.00 0.00 C ATOM 302 OG1 THR A 19 109.150 110.219 -36.653 1.00 0.00 O ATOM 303 CG2 THR A 19 110.123 108.027 -36.322 1.00 0.00 C ATOM 0 H THR A 19 108.953 109.126 -38.785 1.00 0.00 H new ATOM 0 HA THR A 19 107.661 107.241 -37.055 1.00 0.00 H new ATOM 0 HB THR A 19 108.456 108.870 -35.295 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.118 110.364 -36.597 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.865 108.466 -35.655 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.884 107.018 -35.985 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.525 107.986 -37.334 1.00 0.00 H new ATOM 311 N ALA A 20 106.118 110.062 -37.629 1.00 0.00 N ATOM 312 CA ALA A 20 104.843 110.719 -37.414 1.00 0.00 C ATOM 313 C ALA A 20 103.658 109.800 -37.770 1.00 0.00 C ATOM 314 O ALA A 20 102.702 109.690 -37.015 1.00 0.00 O ATOM 315 CB ALA A 20 104.798 111.968 -38.295 1.00 0.00 C ATOM 0 H ALA A 20 106.728 110.498 -38.321 1.00 0.00 H new ATOM 0 HA ALA A 20 104.754 110.976 -36.358 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.847 112.481 -38.151 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.615 112.636 -38.022 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.900 111.679 -39.341 1.00 0.00 H new ATOM 321 N THR A 21 103.769 109.145 -38.943 1.00 0.00 N ATOM 322 CA THR A 21 102.688 108.244 -39.322 1.00 0.00 C ATOM 323 C THR A 21 102.575 107.021 -38.386 1.00 0.00 C ATOM 324 O THR A 21 101.485 106.569 -38.059 1.00 0.00 O ATOM 325 CB THR A 21 102.848 107.839 -40.795 1.00 0.00 C ATOM 326 OG1 THR A 21 101.635 107.370 -41.340 1.00 0.00 O ATOM 327 CG2 THR A 21 103.988 106.849 -41.054 1.00 0.00 C ATOM 0 H THR A 21 104.546 109.220 -39.600 1.00 0.00 H new ATOM 0 HA THR A 21 101.745 108.778 -39.209 1.00 0.00 H new ATOM 0 HB THR A 21 103.130 108.756 -41.312 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.772 107.122 -42.278 1.00 0.00 H new ATOM 0 HG21 THR A 21 104.032 106.615 -42.118 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.933 107.292 -40.740 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.811 105.934 -40.489 1.00 0.00 H new ATOM 335 N ILE A 22 103.756 106.519 -37.979 1.00 0.00 N ATOM 336 CA ILE A 22 103.797 105.327 -37.144 1.00 0.00 C ATOM 337 C ILE A 22 103.207 105.603 -35.749 1.00 0.00 C ATOM 338 O ILE A 22 102.341 104.882 -35.267 1.00 0.00 O ATOM 339 CB ILE A 22 105.258 104.898 -37.002 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.869 104.529 -38.357 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.443 103.786 -35.961 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.801 103.030 -38.661 1.00 0.00 C ATOM 0 H ILE A 22 104.667 106.915 -38.212 1.00 0.00 H new ATOM 0 HA ILE A 22 103.202 104.542 -37.610 1.00 0.00 H new ATOM 0 HB ILE A 22 105.807 105.761 -36.625 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.350 105.077 -39.144 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.910 104.851 -38.379 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.498 103.518 -35.899 1.00 0.00 H new ATOM 0 HG22 ILE A 22 105.100 104.138 -34.988 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.863 102.911 -36.256 1.00 0.00 H new ATOM 0 HD11 ILE A 22 106.250 102.835 -39.635 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.344 102.478 -37.894 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.760 102.708 -38.671 1.00 0.00 H new ATOM 354 N LEU A 23 103.732 106.686 -35.139 1.00 0.00 N ATOM 355 CA LEU A 23 103.149 107.186 -33.905 1.00 0.00 C ATOM 356 C LEU A 23 101.628 107.410 -34.023 1.00 0.00 C ATOM 357 O LEU A 23 100.880 107.130 -33.097 1.00 0.00 O ATOM 358 CB LEU A 23 103.856 108.494 -33.523 1.00 0.00 C ATOM 359 CG LEU A 23 103.131 109.314 -32.453 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.956 108.492 -31.176 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.879 110.619 -32.170 1.00 0.00 C ATOM 0 H LEU A 23 104.538 107.210 -35.480 1.00 0.00 H new ATOM 0 HA LEU A 23 103.292 106.435 -33.128 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.859 108.260 -33.167 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.970 109.106 -34.418 1.00 0.00 H new ATOM 0 HG LEU A 23 102.141 109.572 -32.828 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.439 109.090 -30.426 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.370 107.599 -31.395 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.934 108.199 -30.795 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.346 111.186 -31.407 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.885 110.393 -31.817 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.939 111.209 -33.084 1.00 0.00 H new ATOM 373 N ILE A 24 101.227 107.951 -35.187 1.00 0.00 N ATOM 374 CA ILE A 24 99.818 108.227 -35.392 1.00 0.00 C ATOM 375 C ILE A 24 98.973 106.945 -35.445 1.00 0.00 C ATOM 376 O ILE A 24 97.909 106.867 -34.846 1.00 0.00 O ATOM 377 CB ILE A 24 99.690 109.067 -36.657 1.00 0.00 C ATOM 378 CG1 ILE A 24 100.229 110.455 -36.342 1.00 0.00 C ATOM 379 CG2 ILE A 24 98.263 109.109 -37.218 1.00 0.00 C ATOM 380 CD1 ILE A 24 99.157 111.360 -35.739 1.00 0.00 C ATOM 0 H ILE A 24 101.841 108.193 -35.965 1.00 0.00 H new ATOM 0 HA ILE A 24 99.422 108.783 -34.543 1.00 0.00 H new ATOM 0 HB ILE A 24 100.274 108.606 -37.454 1.00 0.00 H new ATOM 0 HG12 ILE A 24 101.065 110.371 -35.648 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.616 110.909 -37.254 1.00 0.00 H new ATOM 0 HG21 ILE A 24 98.244 109.724 -38.118 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.938 108.098 -37.463 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.591 109.535 -36.473 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.584 112.341 -35.529 1.00 0.00 H new ATOM 0 HD12 ILE A 24 98.332 111.467 -36.444 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.788 110.920 -34.813 1.00 0.00 H new ATOM 392 N THR A 25 99.491 105.958 -36.198 1.00 0.00 N ATOM 393 CA THR A 25 98.724 104.731 -36.326 1.00 0.00 C ATOM 394 C THR A 25 98.478 104.065 -34.957 1.00 0.00 C ATOM 395 O THR A 25 97.360 103.688 -34.629 1.00 0.00 O ATOM 396 CB THR A 25 99.459 103.762 -37.264 1.00 0.00 C ATOM 397 OG1 THR A 25 100.214 104.400 -38.278 1.00 0.00 O ATOM 398 CG2 THR A 25 98.492 102.740 -37.864 1.00 0.00 C ATOM 0 H THR A 25 100.382 105.988 -36.694 1.00 0.00 H new ATOM 0 HA THR A 25 97.750 104.982 -36.746 1.00 0.00 H new ATOM 0 HB THR A 25 100.185 103.243 -36.639 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.879 104.992 -37.868 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.038 102.066 -38.524 1.00 0.00 H new ATOM 0 HG22 THR A 25 98.027 102.165 -37.063 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.721 103.259 -38.433 1.00 0.00 H new ATOM 406 N ILE A 26 99.578 103.945 -34.186 1.00 0.00 N ATOM 407 CA ILE A 26 99.426 103.489 -32.810 1.00 0.00 C ATOM 408 C ILE A 26 98.502 104.417 -32.000 1.00 0.00 C ATOM 409 O ILE A 26 97.570 103.980 -31.335 1.00 0.00 O ATOM 410 CB ILE A 26 100.788 103.421 -32.120 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.831 102.627 -32.913 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.641 102.829 -30.722 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.211 103.264 -32.777 1.00 0.00 C ATOM 0 H ILE A 26 100.532 104.149 -34.482 1.00 0.00 H new ATOM 0 HA ILE A 26 98.976 102.497 -32.848 1.00 0.00 H new ATOM 0 HB ILE A 26 101.153 104.446 -32.058 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.863 101.598 -32.554 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.544 102.589 -33.964 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.618 102.786 -30.241 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.972 103.454 -30.130 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.227 101.823 -30.794 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.937 102.685 -33.348 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.180 104.284 -33.159 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.503 103.279 -31.727 1.00 0.00 H new ATOM 425 N ALA A 27 98.830 105.718 -32.106 1.00 0.00 N ATOM 426 CA ALA A 27 98.147 106.727 -31.302 1.00 0.00 C ATOM 427 C ALA A 27 96.614 106.644 -31.437 1.00 0.00 C ATOM 428 O ALA A 27 95.886 106.670 -30.452 1.00 0.00 O ATOM 429 CB ALA A 27 98.592 108.119 -31.760 1.00 0.00 C ATOM 0 H ALA A 27 99.550 106.082 -32.730 1.00 0.00 H new ATOM 0 HA ALA A 27 98.410 106.545 -30.260 1.00 0.00 H new ATOM 0 HB1 ALA A 27 98.085 108.878 -31.163 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.670 108.217 -31.632 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.338 108.255 -32.811 1.00 0.00 H new ATOM 435 N LYS A 28 96.173 106.544 -32.707 1.00 0.00 N ATOM 436 CA LYS A 28 94.751 106.443 -32.989 1.00 0.00 C ATOM 437 C LYS A 28 94.121 105.262 -32.235 1.00 0.00 C ATOM 438 O LYS A 28 93.194 105.413 -31.449 1.00 0.00 O ATOM 439 CB LYS A 28 94.574 106.255 -34.499 1.00 0.00 C ATOM 440 CG LYS A 28 93.145 106.522 -34.983 1.00 0.00 C ATOM 441 CD LYS A 28 92.463 107.679 -34.251 1.00 0.00 C ATOM 442 CE LYS A 28 93.299 108.960 -34.283 1.00 0.00 C ATOM 443 NZ LYS A 28 92.786 109.949 -35.225 1.00 0.00 N ATOM 0 H LYS A 28 96.776 106.532 -33.529 1.00 0.00 H new ATOM 0 HA LYS A 28 94.250 107.352 -32.656 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.258 106.923 -35.023 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.856 105.236 -34.766 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.165 106.739 -36.051 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.550 105.618 -34.853 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.491 107.871 -34.705 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.280 107.393 -33.215 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.325 109.396 -33.284 1.00 0.00 H new ATOM 0 HE3 LYS A 28 94.326 108.711 -34.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 93.391 110.795 -35.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.785 109.547 -36.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.815 110.211 -34.959 1.00 0.00 H new ATOM 457 N LYS A 29 94.698 104.087 -32.542 1.00 0.00 N ATOM 458 CA LYS A 29 94.100 102.833 -32.136 1.00 0.00 C ATOM 459 C LYS A 29 94.721 102.380 -30.810 1.00 0.00 C ATOM 460 O LYS A 29 95.931 102.243 -30.675 1.00 0.00 O ATOM 461 CB LYS A 29 94.370 101.777 -33.202 1.00 0.00 C ATOM 462 CG LYS A 29 93.709 100.457 -32.838 1.00 0.00 C ATOM 463 CD LYS A 29 93.786 99.463 -33.991 1.00 0.00 C ATOM 464 CE LYS A 29 92.561 99.551 -34.904 1.00 0.00 C ATOM 465 NZ LYS A 29 92.907 99.611 -36.320 1.00 0.00 N ATOM 0 H LYS A 29 95.569 103.994 -33.065 1.00 0.00 H new ATOM 0 HA LYS A 29 93.025 102.965 -32.012 1.00 0.00 H new ATOM 0 HB2 LYS A 29 93.995 102.123 -34.165 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.445 101.632 -33.312 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.195 100.035 -31.958 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.666 100.631 -32.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 94.687 99.652 -34.574 1.00 0.00 H new ATOM 0 HD3 LYS A 29 93.870 98.452 -33.593 1.00 0.00 H new ATOM 0 HE2 LYS A 29 91.921 98.686 -34.729 1.00 0.00 H new ATOM 0 HE3 LYS A 29 91.981 100.435 -34.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.042 99.738 -36.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 93.549 100.412 -36.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 93.377 98.726 -36.600 1.00 0.00 H new ATOM 479 N ASP A 30 93.806 102.157 -29.851 1.00 0.00 N ATOM 480 CA ASP A 30 94.199 101.683 -28.542 1.00 0.00 C ATOM 481 C ASP A 30 94.237 100.149 -28.543 1.00 0.00 C ATOM 482 O ASP A 30 93.223 99.484 -28.711 1.00 0.00 O ATOM 483 CB ASP A 30 93.179 102.170 -27.518 1.00 0.00 C ATOM 484 CG ASP A 30 93.239 103.694 -27.393 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.342 104.232 -27.308 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.183 104.324 -27.384 1.00 0.00 O ATOM 0 H ASP A 30 92.803 102.300 -29.969 1.00 0.00 H new ATOM 0 HA ASP A 30 95.188 102.064 -28.289 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.177 101.862 -27.817 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.378 101.711 -26.550 1.00 0.00 H new ATOM 491 N PHE A 31 95.470 99.642 -28.351 1.00 0.00 N ATOM 492 CA PHE A 31 95.746 98.243 -28.658 1.00 0.00 C ATOM 493 C PHE A 31 95.429 97.944 -30.133 1.00 0.00 C ATOM 494 O PHE A 31 94.632 97.072 -30.459 1.00 0.00 O ATOM 495 CB PHE A 31 94.954 97.288 -27.753 1.00 0.00 C ATOM 496 CG PHE A 31 95.321 97.407 -26.295 1.00 0.00 C ATOM 497 CD1 PHE A 31 94.732 98.423 -25.500 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.243 96.509 -25.696 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.040 98.528 -24.121 1.00 0.00 C ATOM 500 CE2 PHE A 31 96.553 96.610 -24.317 1.00 0.00 C ATOM 501 CZ PHE A 31 95.947 97.618 -23.529 1.00 0.00 C ATOM 0 H PHE A 31 96.266 100.171 -27.994 1.00 0.00 H new ATOM 0 HA PHE A 31 96.807 98.077 -28.473 1.00 0.00 H new ATOM 0 HB2 PHE A 31 93.889 97.487 -27.870 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.124 96.263 -28.081 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.043 99.123 -25.949 1.00 0.00 H new ATOM 0 HD2 PHE A 31 96.712 95.743 -26.296 1.00 0.00 H new ATOM 0 HE1 PHE A 31 94.583 99.302 -23.522 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.251 95.919 -23.868 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.177 97.692 -22.476 1.00 0.00 H new ATOM 511 N ILE A 32 96.111 98.731 -30.991 1.00 0.00 N ATOM 512 CA ILE A 32 96.711 98.226 -32.213 1.00 0.00 C ATOM 513 C ILE A 32 97.576 96.984 -31.927 1.00 0.00 C ATOM 514 O ILE A 32 97.414 96.301 -30.926 1.00 0.00 O ATOM 515 CB ILE A 32 97.490 99.382 -32.871 1.00 0.00 C ATOM 516 CG1 ILE A 32 97.555 99.200 -34.383 1.00 0.00 C ATOM 517 CG2 ILE A 32 98.887 99.576 -32.275 1.00 0.00 C ATOM 518 CD1 ILE A 32 97.800 100.525 -35.101 1.00 0.00 C ATOM 0 H ILE A 32 96.253 99.730 -30.844 1.00 0.00 H new ATOM 0 HA ILE A 32 95.948 97.886 -32.914 1.00 0.00 H new ATOM 0 HB ILE A 32 96.937 100.296 -32.655 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.352 98.499 -34.631 1.00 0.00 H new ATOM 0 HG13 ILE A 32 96.622 98.761 -34.737 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.386 100.404 -32.779 1.00 0.00 H new ATOM 0 HG22 ILE A 32 98.801 99.798 -31.211 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.470 98.665 -32.410 1.00 0.00 H new ATOM 0 HD11 ILE A 32 97.840 100.354 -36.177 1.00 0.00 H new ATOM 0 HD12 ILE A 32 96.989 101.217 -34.874 1.00 0.00 H new ATOM 0 HD13 ILE A 32 98.746 100.951 -34.766 1.00 0.00 H new ATOM 530 N THR A 33 98.496 96.733 -32.876 1.00 0.00 N ATOM 531 CA THR A 33 99.829 96.303 -32.481 1.00 0.00 C ATOM 532 C THR A 33 100.859 96.914 -33.435 1.00 0.00 C ATOM 533 O THR A 33 100.538 97.685 -34.332 1.00 0.00 O ATOM 534 CB THR A 33 99.906 94.767 -32.507 1.00 0.00 C ATOM 535 OG1 THR A 33 99.949 94.242 -33.817 1.00 0.00 O ATOM 536 CG2 THR A 33 98.769 94.125 -31.701 1.00 0.00 C ATOM 0 H THR A 33 98.342 96.819 -33.881 1.00 0.00 H new ATOM 0 HA THR A 33 100.044 96.641 -31.467 1.00 0.00 H new ATOM 0 HB THR A 33 100.850 94.508 -32.028 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.065 94.325 -34.232 1.00 0.00 H new ATOM 0 HG21 THR A 33 98.860 93.040 -31.745 1.00 0.00 H new ATOM 0 HG22 THR A 33 98.829 94.453 -30.663 1.00 0.00 H new ATOM 0 HG23 THR A 33 97.810 94.426 -32.122 1.00 0.00 H new ATOM 544 N ALA A 34 102.119 96.513 -33.185 1.00 0.00 N ATOM 545 CA ALA A 34 103.116 96.626 -34.244 1.00 0.00 C ATOM 546 C ALA A 34 102.656 95.977 -35.566 1.00 0.00 C ATOM 547 O ALA A 34 102.848 96.530 -36.641 1.00 0.00 O ATOM 548 CB ALA A 34 104.428 95.991 -33.781 1.00 0.00 C ATOM 0 H ALA A 34 102.452 96.127 -32.302 1.00 0.00 H new ATOM 0 HA ALA A 34 103.260 97.688 -34.444 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.172 96.076 -34.573 1.00 0.00 H new ATOM 0 HB2 ALA A 34 104.786 96.505 -32.889 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.262 94.939 -33.551 1.00 0.00 H new ATOM 554 N ALA A 35 102.041 94.785 -35.424 1.00 0.00 N ATOM 555 CA ALA A 35 101.595 94.043 -36.596 1.00 0.00 C ATOM 556 C ALA A 35 100.687 94.895 -37.506 1.00 0.00 C ATOM 557 O ALA A 35 100.893 94.977 -38.711 1.00 0.00 O ATOM 558 CB ALA A 35 100.867 92.763 -36.159 1.00 0.00 C ATOM 0 H ALA A 35 101.850 94.334 -34.529 1.00 0.00 H new ATOM 0 HA ALA A 35 102.477 93.777 -37.178 1.00 0.00 H new ATOM 0 HB1 ALA A 35 100.536 92.213 -37.040 1.00 0.00 H new ATOM 0 HB2 ALA A 35 101.545 92.140 -35.576 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.002 93.026 -35.550 1.00 0.00 H new ATOM 564 N GLU A 36 99.678 95.516 -36.866 1.00 0.00 N ATOM 565 CA GLU A 36 98.786 96.372 -37.632 1.00 0.00 C ATOM 566 C GLU A 36 99.531 97.565 -38.269 1.00 0.00 C ATOM 567 O GLU A 36 99.278 97.918 -39.413 1.00 0.00 O ATOM 568 CB GLU A 36 97.630 96.861 -36.747 1.00 0.00 C ATOM 569 CG GLU A 36 96.278 96.542 -37.383 1.00 0.00 C ATOM 570 CD GLU A 36 95.180 96.517 -36.317 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.387 95.899 -35.273 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.128 97.114 -36.544 1.00 0.00 O ATOM 0 H GLU A 36 99.474 95.441 -35.869 1.00 0.00 H new ATOM 0 HA GLU A 36 98.380 95.777 -38.450 1.00 0.00 H new ATOM 0 HB2 GLU A 36 97.694 96.390 -35.766 1.00 0.00 H new ATOM 0 HB3 GLU A 36 97.717 97.936 -36.591 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.041 97.288 -38.141 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.325 95.577 -37.888 1.00 0.00 H new ATOM 579 N VAL A 37 100.450 98.162 -37.481 1.00 0.00 N ATOM 580 CA VAL A 37 101.212 99.267 -38.044 1.00 0.00 C ATOM 581 C VAL A 37 102.017 98.835 -39.292 1.00 0.00 C ATOM 582 O VAL A 37 102.081 99.563 -40.277 1.00 0.00 O ATOM 583 CB VAL A 37 102.153 99.832 -36.973 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.081 100.898 -37.563 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.369 100.390 -35.782 1.00 0.00 C ATOM 0 H VAL A 37 100.665 97.911 -36.516 1.00 0.00 H new ATOM 0 HA VAL A 37 100.510 100.037 -38.364 1.00 0.00 H new ATOM 0 HB VAL A 37 102.770 99.010 -36.610 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.737 101.282 -36.782 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.682 100.457 -38.358 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.485 101.715 -37.969 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.065 100.783 -35.040 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.711 101.190 -36.122 1.00 0.00 H new ATOM 0 HG23 VAL A 37 100.772 99.595 -35.335 1.00 0.00 H new ATOM 595 N ARG A 38 102.621 97.631 -39.208 1.00 0.00 N ATOM 596 CA ARG A 38 103.168 97.030 -40.414 1.00 0.00 C ATOM 597 C ARG A 38 102.120 96.917 -41.545 1.00 0.00 C ATOM 598 O ARG A 38 102.402 97.198 -42.703 1.00 0.00 O ATOM 599 CB ARG A 38 103.737 95.654 -40.082 1.00 0.00 C ATOM 600 CG ARG A 38 104.858 95.736 -39.048 1.00 0.00 C ATOM 601 CD ARG A 38 105.900 94.633 -39.241 1.00 0.00 C ATOM 602 NE ARG A 38 106.998 94.814 -38.311 1.00 0.00 N ATOM 603 CZ ARG A 38 106.726 94.807 -36.993 1.00 0.00 C ATOM 604 NH1 ARG A 38 106.189 93.729 -36.430 1.00 0.00 N ATOM 605 NH2 ARG A 38 106.992 95.881 -36.254 1.00 0.00 N ATOM 0 H ARG A 38 102.733 97.086 -38.353 1.00 0.00 H new ATOM 0 HA ARG A 38 103.960 97.683 -40.781 1.00 0.00 H new ATOM 0 HB2 ARG A 38 102.940 95.013 -39.704 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.116 95.188 -40.992 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.344 96.709 -39.117 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.433 95.662 -38.047 1.00 0.00 H new ATOM 0 HD2 ARG A 38 105.440 93.657 -39.087 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.274 94.651 -40.265 1.00 0.00 H new ATOM 0 HE ARG A 38 107.952 94.943 -38.647 1.00 0.00 H new ATOM 0 HH11 ARG A 38 105.983 92.907 -36.997 1.00 0.00 H new ATOM 0 HH12 ARG A 38 105.983 93.724 -35.431 1.00 0.00 H new ATOM 0 HH21 ARG A 38 107.402 96.709 -36.686 1.00 0.00 H new ATOM 0 HH22 ARG A 38 106.786 95.876 -35.255 1.00 0.00 H new ATOM 619 N GLU A 39 100.908 96.489 -41.141 1.00 0.00 N ATOM 620 CA GLU A 39 99.904 96.144 -42.137 1.00 0.00 C ATOM 621 C GLU A 39 99.353 97.386 -42.865 1.00 0.00 C ATOM 622 O GLU A 39 99.148 97.374 -44.072 1.00 0.00 O ATOM 623 CB GLU A 39 98.760 95.409 -41.446 1.00 0.00 C ATOM 624 CG GLU A 39 99.217 94.059 -40.903 1.00 0.00 C ATOM 625 CD GLU A 39 98.790 92.915 -41.828 1.00 0.00 C ATOM 626 OE1 GLU A 39 99.018 93.016 -43.032 1.00 0.00 O ATOM 627 OE2 GLU A 39 98.235 91.936 -41.332 1.00 0.00 O ATOM 0 H GLU A 39 100.618 96.380 -40.169 1.00 0.00 H new ATOM 0 HA GLU A 39 100.376 95.511 -42.888 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.373 96.019 -40.630 1.00 0.00 H new ATOM 0 HB3 GLU A 39 97.941 95.262 -42.150 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.302 94.056 -40.794 1.00 0.00 H new ATOM 0 HG3 GLU A 39 98.797 93.903 -39.910 1.00 0.00 H new ATOM 719 N ASN A 46 108.836 97.686 -44.450 1.00 0.00 N ATOM 720 CA ASN A 46 108.940 97.277 -43.048 1.00 0.00 C ATOM 721 C ASN A 46 109.965 98.086 -42.244 1.00 0.00 C ATOM 722 O ASN A 46 109.684 98.572 -41.158 1.00 0.00 O ATOM 723 CB ASN A 46 109.329 95.794 -42.980 1.00 0.00 C ATOM 724 CG ASN A 46 108.540 95.086 -41.875 1.00 0.00 C ATOM 725 OD1 ASN A 46 107.812 94.130 -42.111 1.00 0.00 O ATOM 726 ND2 ASN A 46 108.739 95.627 -40.659 1.00 0.00 N ATOM 0 HA ASN A 46 107.963 97.460 -42.601 1.00 0.00 H new ATOM 0 HB2 ASN A 46 109.133 95.316 -43.940 1.00 0.00 H new ATOM 0 HB3 ASN A 46 110.398 95.700 -42.790 1.00 0.00 H new ATOM 0 HD21 ASN A 46 108.264 95.239 -39.844 1.00 0.00 H new ATOM 0 HD22 ASN A 46 109.365 96.425 -40.552 1.00 0.00 H new ATOM 733 N ALA A 47 111.171 98.175 -42.831 1.00 0.00 N ATOM 734 CA ALA A 47 112.351 98.326 -41.986 1.00 0.00 C ATOM 735 C ALA A 47 112.252 99.570 -41.080 1.00 0.00 C ATOM 736 O ALA A 47 112.560 99.529 -39.893 1.00 0.00 O ATOM 737 CB ALA A 47 113.600 98.419 -42.861 1.00 0.00 C ATOM 0 H ALA A 47 111.344 98.146 -43.836 1.00 0.00 H new ATOM 0 HA ALA A 47 112.414 97.451 -41.340 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.480 98.532 -42.228 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.695 97.511 -43.457 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.517 99.281 -43.523 1.00 0.00 H new ATOM 743 N VAL A 48 111.797 100.669 -41.713 1.00 0.00 N ATOM 744 CA VAL A 48 111.636 101.893 -40.937 1.00 0.00 C ATOM 745 C VAL A 48 110.624 101.708 -39.790 1.00 0.00 C ATOM 746 O VAL A 48 110.840 102.167 -38.679 1.00 0.00 O ATOM 747 CB VAL A 48 111.193 103.047 -41.841 1.00 0.00 C ATOM 748 CG1 VAL A 48 112.136 103.213 -43.033 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.750 102.880 -42.313 1.00 0.00 C ATOM 0 H VAL A 48 111.550 100.728 -42.701 1.00 0.00 H new ATOM 0 HA VAL A 48 112.605 102.132 -40.499 1.00 0.00 H new ATOM 0 HB VAL A 48 111.240 103.956 -41.241 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.794 104.040 -43.655 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.144 103.422 -42.673 1.00 0.00 H new ATOM 0 HG13 VAL A 48 112.144 102.295 -43.621 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.476 103.720 -42.951 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.656 101.951 -42.876 1.00 0.00 H new ATOM 0 HG23 VAL A 48 109.086 102.849 -41.449 1.00 0.00 H new ATOM 759 N VAL A 49 109.520 101.018 -40.130 1.00 0.00 N ATOM 760 CA VAL A 49 108.383 100.907 -39.232 1.00 0.00 C ATOM 761 C VAL A 49 108.775 100.259 -37.890 1.00 0.00 C ATOM 762 O VAL A 49 108.366 100.714 -36.828 1.00 0.00 O ATOM 763 CB VAL A 49 107.292 100.078 -39.919 1.00 0.00 C ATOM 764 CG1 VAL A 49 106.088 99.856 -39.001 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.854 100.708 -41.240 1.00 0.00 C ATOM 0 H VAL A 49 109.403 100.534 -41.020 1.00 0.00 H new ATOM 0 HA VAL A 49 108.015 101.909 -39.011 1.00 0.00 H new ATOM 0 HB VAL A 49 107.728 99.104 -40.140 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.336 99.264 -39.524 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.407 99.326 -38.104 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.661 100.819 -38.721 1.00 0.00 H new ATOM 0 HG21 VAL A 49 106.080 100.092 -41.698 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.460 101.707 -41.054 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.709 100.775 -41.912 1.00 0.00 H new ATOM 775 N ASN A 50 109.581 99.181 -37.993 1.00 0.00 N ATOM 776 CA ASN A 50 110.192 98.624 -36.793 1.00 0.00 C ATOM 777 C ASN A 50 110.971 99.692 -35.993 1.00 0.00 C ATOM 778 O ASN A 50 110.829 99.806 -34.781 1.00 0.00 O ATOM 779 CB ASN A 50 111.143 97.483 -37.189 1.00 0.00 C ATOM 780 CG ASN A 50 111.020 96.323 -36.197 1.00 0.00 C ATOM 781 OD1 ASN A 50 111.755 96.225 -35.221 1.00 0.00 O ATOM 782 ND2 ASN A 50 110.040 95.459 -36.517 1.00 0.00 N ATOM 0 H ASN A 50 109.811 98.702 -38.864 1.00 0.00 H new ATOM 0 HA ASN A 50 109.393 98.248 -36.154 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.908 97.137 -38.195 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.170 97.847 -37.209 1.00 0.00 H new ATOM 0 HD21 ASN A 50 109.864 94.646 -35.926 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.473 95.616 -37.350 1.00 0.00 H new ATOM 789 N SER A 51 111.788 100.460 -36.741 1.00 0.00 N ATOM 790 CA SER A 51 112.567 101.487 -36.064 1.00 0.00 C ATOM 791 C SER A 51 111.675 102.560 -35.399 1.00 0.00 C ATOM 792 O SER A 51 111.934 102.978 -34.279 1.00 0.00 O ATOM 793 CB SER A 51 113.531 102.144 -37.065 1.00 0.00 C ATOM 794 OG SER A 51 114.062 103.397 -36.652 1.00 0.00 O ATOM 0 H SER A 51 111.915 100.390 -37.751 1.00 0.00 H new ATOM 0 HA SER A 51 113.131 101.003 -35.267 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.358 101.460 -37.253 1.00 0.00 H new ATOM 0 HB3 SER A 51 113.010 102.281 -38.012 1.00 0.00 H new ATOM 0 HG SER A 51 114.664 103.741 -37.344 1.00 0.00 H new ATOM 800 N ASN A 52 110.633 102.980 -36.143 1.00 0.00 N ATOM 801 CA ASN A 52 109.831 104.135 -35.764 1.00 0.00 C ATOM 802 C ASN A 52 108.985 103.908 -34.494 1.00 0.00 C ATOM 803 O ASN A 52 108.795 104.801 -33.680 1.00 0.00 O ATOM 804 CB ASN A 52 108.878 104.447 -36.913 1.00 0.00 C ATOM 805 CG ASN A 52 109.654 104.815 -38.186 1.00 0.00 C ATOM 806 OD1 ASN A 52 110.630 105.554 -38.157 1.00 0.00 O ATOM 807 ND2 ASN A 52 109.161 104.235 -39.293 1.00 0.00 N ATOM 0 H ASN A 52 110.336 102.529 -37.008 1.00 0.00 H new ATOM 0 HA ASN A 52 110.522 104.951 -35.553 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.242 103.584 -37.107 1.00 0.00 H new ATOM 0 HB3 ASN A 52 108.221 105.270 -36.632 1.00 0.00 H new ATOM 0 HD21 ASN A 52 109.606 104.399 -40.196 1.00 0.00 H new ATOM 0 HD22 ASN A 52 108.342 103.631 -39.230 1.00 0.00 H new ATOM 814 N ILE A 53 108.443 102.688 -34.390 1.00 0.00 N ATOM 815 CA ILE A 53 107.746 102.348 -33.166 1.00 0.00 C ATOM 816 C ILE A 53 108.713 102.324 -31.966 1.00 0.00 C ATOM 817 O ILE A 53 108.448 102.905 -30.922 1.00 0.00 O ATOM 818 CB ILE A 53 107.072 100.988 -33.333 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.156 100.943 -34.560 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.262 100.618 -32.095 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.778 99.509 -34.911 1.00 0.00 C ATOM 0 H ILE A 53 108.474 101.960 -35.104 1.00 0.00 H new ATOM 0 HA ILE A 53 106.991 103.108 -32.967 1.00 0.00 H new ATOM 0 HB ILE A 53 107.876 100.265 -33.473 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.254 101.523 -34.365 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.657 101.408 -35.409 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.794 99.645 -32.244 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.922 100.575 -31.228 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.491 101.370 -31.927 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.128 99.508 -35.786 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.680 98.938 -35.129 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.255 99.054 -34.070 1.00 0.00 H new ATOM 833 N GLY A 54 109.838 101.614 -32.175 1.00 0.00 N ATOM 834 CA GLY A 54 110.840 101.545 -31.127 1.00 0.00 C ATOM 835 C GLY A 54 111.384 102.919 -30.706 1.00 0.00 C ATOM 836 O GLY A 54 111.569 103.198 -29.531 1.00 0.00 O ATOM 0 H GLY A 54 110.060 101.103 -33.029 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.409 101.051 -30.256 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.669 100.924 -31.468 1.00 0.00 H new ATOM 840 N VAL A 55 111.648 103.746 -31.727 1.00 0.00 N ATOM 841 CA VAL A 55 112.253 105.039 -31.448 1.00 0.00 C ATOM 842 C VAL A 55 111.297 105.989 -30.688 1.00 0.00 C ATOM 843 O VAL A 55 111.722 106.765 -29.841 1.00 0.00 O ATOM 844 CB VAL A 55 112.775 105.659 -32.743 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.647 106.259 -33.564 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.849 106.703 -32.453 1.00 0.00 C ATOM 0 H VAL A 55 111.459 103.549 -32.710 1.00 0.00 H new ATOM 0 HA VAL A 55 113.098 104.879 -30.778 1.00 0.00 H new ATOM 0 HB VAL A 55 113.226 104.861 -33.332 1.00 0.00 H new ATOM 0 HG11 VAL A 55 112.053 106.692 -34.478 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.928 105.480 -33.819 1.00 0.00 H new ATOM 0 HG13 VAL A 55 111.149 107.037 -32.985 1.00 0.00 H new ATOM 0 HG21 VAL A 55 114.204 107.130 -33.391 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.429 107.494 -31.831 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.682 106.233 -31.930 1.00 0.00 H new ATOM 856 N LEU A 56 109.994 105.891 -31.032 1.00 0.00 N ATOM 857 CA LEU A 56 108.982 106.433 -30.132 1.00 0.00 C ATOM 858 C LEU A 56 109.121 105.843 -28.710 1.00 0.00 C ATOM 859 O LEU A 56 109.128 106.564 -27.722 1.00 0.00 O ATOM 860 CB LEU A 56 107.615 106.040 -30.704 1.00 0.00 C ATOM 861 CG LEU A 56 107.093 106.977 -31.799 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.195 107.686 -32.585 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.223 106.189 -32.769 1.00 0.00 C ATOM 0 H LEU A 56 109.641 105.461 -31.887 1.00 0.00 H new ATOM 0 HA LEU A 56 109.098 107.514 -30.057 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.681 105.030 -31.108 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.889 106.011 -29.891 1.00 0.00 H new ATOM 0 HG LEU A 56 106.521 107.752 -31.289 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.746 108.330 -33.341 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.797 108.289 -31.905 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.830 106.945 -33.071 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.851 106.855 -33.548 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.813 105.393 -33.223 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.381 105.754 -32.231 1.00 0.00 H new ATOM 875 N ILE A 57 109.259 104.505 -28.661 1.00 0.00 N ATOM 876 CA ILE A 57 109.288 103.870 -27.349 1.00 0.00 C ATOM 877 C ILE A 57 110.488 104.346 -26.497 1.00 0.00 C ATOM 878 O ILE A 57 110.357 104.603 -25.306 1.00 0.00 O ATOM 879 CB ILE A 57 109.336 102.349 -27.511 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.153 101.842 -28.351 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.453 101.656 -26.149 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.133 100.996 -27.588 1.00 0.00 C ATOM 0 H ILE A 57 109.347 103.883 -29.465 1.00 0.00 H new ATOM 0 HA ILE A 57 108.378 104.160 -26.823 1.00 0.00 H new ATOM 0 HB ILE A 57 110.236 102.086 -28.067 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.639 102.701 -28.783 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.543 101.253 -29.181 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.485 100.576 -26.292 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.366 101.984 -25.651 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.591 101.915 -25.534 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.338 100.686 -28.266 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.625 100.114 -27.179 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.708 101.584 -26.775 1.00 0.00 H new ATOM 894 N LYS A 58 111.649 104.448 -27.174 1.00 0.00 N ATOM 895 CA LYS A 58 112.885 104.757 -26.468 1.00 0.00 C ATOM 896 C LYS A 58 112.935 106.223 -25.963 1.00 0.00 C ATOM 897 O LYS A 58 113.676 106.550 -25.044 1.00 0.00 O ATOM 898 CB LYS A 58 114.069 104.434 -27.386 1.00 0.00 C ATOM 899 CG LYS A 58 114.370 105.552 -28.383 1.00 0.00 C ATOM 900 CD LYS A 58 115.508 106.463 -27.921 1.00 0.00 C ATOM 901 CE LYS A 58 116.511 106.735 -29.043 1.00 0.00 C ATOM 902 NZ LYS A 58 117.097 108.068 -28.959 1.00 0.00 N ATOM 0 H LYS A 58 111.746 104.323 -28.182 1.00 0.00 H new ATOM 0 HA LYS A 58 112.937 104.139 -25.571 1.00 0.00 H new ATOM 0 HB2 LYS A 58 114.954 104.249 -26.777 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.859 103.514 -27.932 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.629 105.114 -29.347 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.471 106.149 -28.536 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.096 107.407 -27.566 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.022 106.002 -27.078 1.00 0.00 H new ATOM 0 HE2 LYS A 58 117.305 105.990 -29.004 1.00 0.00 H new ATOM 0 HE3 LYS A 58 116.013 106.621 -30.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 117.769 108.202 -29.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 116.344 108.783 -29.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 117.596 108.171 -28.052 1.00 0.00 H new ATOM 916 N LYS A 59 112.113 107.071 -26.614 1.00 0.00 N ATOM 917 CA LYS A 59 111.792 108.370 -26.055 1.00 0.00 C ATOM 918 C LYS A 59 110.819 108.235 -24.867 1.00 0.00 C ATOM 919 O LYS A 59 111.039 108.787 -23.796 1.00 0.00 O ATOM 920 CB LYS A 59 111.126 109.190 -27.159 1.00 0.00 C ATOM 921 CG LYS A 59 112.054 109.473 -28.339 1.00 0.00 C ATOM 922 CD LYS A 59 111.276 110.047 -29.520 1.00 0.00 C ATOM 923 CE LYS A 59 112.049 111.163 -30.219 1.00 0.00 C ATOM 924 NZ LYS A 59 111.841 112.461 -29.586 1.00 0.00 N ATOM 0 H LYS A 59 111.673 106.871 -27.512 1.00 0.00 H new ATOM 0 HA LYS A 59 112.701 108.850 -25.692 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.245 108.658 -27.517 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.780 110.136 -26.742 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.831 110.174 -28.035 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.555 108.553 -28.641 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.060 109.252 -30.234 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.318 110.432 -29.172 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.113 110.924 -30.213 1.00 0.00 H new ATOM 0 HE3 LYS A 59 111.741 111.217 -31.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.287 113.203 -30.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 110.821 112.650 -29.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.266 112.456 -28.637 1.00 0.00 H new ATOM 938 N GLY A 60 109.736 107.471 -25.124 1.00 0.00 N ATOM 939 CA GLY A 60 108.408 108.017 -24.992 1.00 0.00 C ATOM 940 C GLY A 60 108.192 109.056 -26.087 1.00 0.00 C ATOM 941 O GLY A 60 108.618 110.200 -25.987 1.00 0.00 O ATOM 0 H GLY A 60 109.773 106.495 -25.417 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.664 107.224 -25.072 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.283 108.473 -24.010 1.00 0.00 H new ATOM 945 N LEU A 61 107.499 108.566 -27.129 1.00 0.00 N ATOM 946 CA LEU A 61 106.101 108.265 -26.977 1.00 0.00 C ATOM 947 C LEU A 61 105.734 107.265 -28.070 1.00 0.00 C ATOM 948 O LEU A 61 105.448 107.606 -29.209 1.00 0.00 O ATOM 949 CB LEU A 61 105.349 109.572 -27.221 1.00 0.00 C ATOM 950 CG LEU A 61 105.779 110.361 -28.477 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.679 111.317 -28.903 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.072 111.144 -28.270 1.00 0.00 C ATOM 0 H LEU A 61 107.887 108.380 -28.054 1.00 0.00 H new ATOM 0 HA LEU A 61 105.862 107.855 -25.996 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.285 109.350 -27.300 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.477 110.213 -26.349 1.00 0.00 H new ATOM 0 HG LEU A 61 105.961 109.623 -29.258 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.997 111.866 -29.789 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.775 110.753 -29.131 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.475 112.020 -28.095 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.324 111.678 -29.186 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.939 111.859 -27.458 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.878 110.455 -28.018 1.00 0.00 H new ATOM 964 N VAL A 62 105.729 105.999 -27.643 1.00 0.00 N ATOM 965 CA VAL A 62 104.562 105.196 -27.394 1.00 0.00 C ATOM 966 C VAL A 62 104.889 104.232 -26.244 1.00 0.00 C ATOM 967 O VAL A 62 106.035 103.836 -26.062 1.00 0.00 O ATOM 968 CB VAL A 62 104.201 104.462 -28.681 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.290 103.477 -29.087 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.853 103.769 -28.559 1.00 0.00 C ATOM 0 H VAL A 62 106.595 105.493 -27.456 1.00 0.00 H new ATOM 0 HA VAL A 62 103.702 105.798 -27.101 1.00 0.00 H new ATOM 0 HB VAL A 62 104.123 105.208 -29.472 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.999 102.972 -30.008 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.225 104.014 -29.247 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.426 102.739 -28.296 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.623 103.254 -29.492 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.888 103.045 -27.745 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.080 104.510 -28.353 1.00 0.00 H new ATOM 980 N GLU A 63 103.839 103.873 -25.483 1.00 0.00 N ATOM 981 CA GLU A 63 104.000 102.808 -24.497 1.00 0.00 C ATOM 982 C GLU A 63 103.326 101.518 -24.998 1.00 0.00 C ATOM 983 O GLU A 63 102.133 101.469 -25.268 1.00 0.00 O ATOM 984 CB GLU A 63 103.391 103.224 -23.160 1.00 0.00 C ATOM 985 CG GLU A 63 104.397 103.970 -22.282 1.00 0.00 C ATOM 986 CD GLU A 63 103.666 104.699 -21.153 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.733 104.125 -20.592 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.037 105.831 -20.846 1.00 0.00 O ATOM 0 H GLU A 63 102.909 104.289 -25.532 1.00 0.00 H new ATOM 0 HA GLU A 63 105.065 102.624 -24.356 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.524 103.860 -23.338 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.035 102.339 -22.632 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.119 103.268 -21.865 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.958 104.685 -22.884 1.00 0.00 H new ATOM 995 N LYS A 64 104.168 100.474 -25.083 1.00 0.00 N ATOM 996 CA LYS A 64 103.677 99.192 -25.531 1.00 0.00 C ATOM 997 C LYS A 64 102.991 98.469 -24.367 1.00 0.00 C ATOM 998 O LYS A 64 103.611 98.101 -23.377 1.00 0.00 O ATOM 999 CB LYS A 64 104.849 98.378 -26.060 1.00 0.00 C ATOM 1000 CG LYS A 64 104.438 96.950 -26.401 1.00 0.00 C ATOM 1001 CD LYS A 64 104.870 95.950 -25.328 1.00 0.00 C ATOM 1002 CE LYS A 64 105.148 94.566 -25.917 1.00 0.00 C ATOM 1003 NZ LYS A 64 104.059 94.094 -26.762 1.00 0.00 N ATOM 0 H LYS A 64 105.161 100.504 -24.851 1.00 0.00 H new ATOM 0 HA LYS A 64 102.946 99.323 -26.328 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.256 98.861 -26.948 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.644 98.359 -25.315 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.356 96.905 -26.522 1.00 0.00 H new ATOM 0 HG3 LYS A 64 104.878 96.666 -27.357 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.766 96.318 -24.828 1.00 0.00 H new ATOM 0 HD3 LYS A 64 104.091 95.872 -24.570 1.00 0.00 H new ATOM 0 HE2 LYS A 64 106.068 94.600 -26.500 1.00 0.00 H new ATOM 0 HE3 LYS A 64 105.310 93.855 -25.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 103.758 93.150 -26.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 103.257 94.753 -26.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 104.383 94.041 -27.749 1.00 0.00 H new ATOM 1017 N SER A 65 101.671 98.297 -24.565 1.00 0.00 N ATOM 1018 CA SER A 65 100.846 97.676 -23.535 1.00 0.00 C ATOM 1019 C SER A 65 100.282 96.358 -24.074 1.00 0.00 C ATOM 1020 O SER A 65 99.378 96.347 -24.899 1.00 0.00 O ATOM 1021 CB SER A 65 99.657 98.606 -23.233 1.00 0.00 C ATOM 1022 OG SER A 65 98.734 98.149 -22.250 1.00 0.00 O ATOM 0 H SER A 65 101.171 98.574 -25.410 1.00 0.00 H new ATOM 0 HA SER A 65 101.443 97.500 -22.640 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.050 99.571 -22.912 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.112 98.777 -24.161 1.00 0.00 H new ATOM 0 HG SER A 65 97.887 97.912 -22.682 1.00 0.00 H new ATOM 1028 N GLY A 66 100.853 95.256 -23.552 1.00 0.00 N ATOM 1029 CA GLY A 66 101.378 94.245 -24.458 1.00 0.00 C ATOM 1030 C GLY A 66 100.417 93.061 -24.564 1.00 0.00 C ATOM 1031 O GLY A 66 100.512 92.082 -23.832 1.00 0.00 O ATOM 0 H GLY A 66 100.955 95.057 -22.557 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.536 94.681 -25.445 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.349 93.901 -24.103 1.00 0.00 H new ATOM 1035 N ASP A 67 99.489 93.222 -25.523 1.00 0.00 N ATOM 1036 CA ASP A 67 99.871 93.111 -26.922 1.00 0.00 C ATOM 1037 C ASP A 67 98.970 94.002 -27.787 1.00 0.00 C ATOM 1038 O ASP A 67 98.250 93.533 -28.659 1.00 0.00 O ATOM 1039 CB ASP A 67 99.757 91.653 -27.370 1.00 0.00 C ATOM 1040 CG ASP A 67 101.044 90.902 -27.026 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.121 91.404 -27.346 1.00 0.00 O ATOM 1042 OD2 ASP A 67 100.956 89.824 -26.441 1.00 0.00 O ATOM 0 H ASP A 67 98.503 93.423 -25.354 1.00 0.00 H new ATOM 0 HA ASP A 67 100.903 93.442 -27.039 1.00 0.00 H new ATOM 0 HB2 ASP A 67 98.907 91.178 -26.881 1.00 0.00 H new ATOM 0 HB3 ASP A 67 99.574 91.606 -28.444 1.00 0.00 H new ATOM 1047 N GLY A 68 99.055 95.312 -27.478 1.00 0.00 N ATOM 1048 CA GLY A 68 99.202 96.309 -28.516 1.00 0.00 C ATOM 1049 C GLY A 68 99.983 97.511 -27.982 1.00 0.00 C ATOM 1050 O GLY A 68 100.352 97.580 -26.816 1.00 0.00 O ATOM 0 H GLY A 68 99.023 95.683 -26.529 1.00 0.00 H new ATOM 0 HA2 GLY A 68 99.721 95.880 -29.373 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.220 96.629 -28.865 1.00 0.00 H new ATOM 1054 N LEU A 69 100.205 98.450 -28.921 1.00 0.00 N ATOM 1055 CA LEU A 69 100.971 99.640 -28.601 1.00 0.00 C ATOM 1056 C LEU A 69 99.984 100.781 -28.354 1.00 0.00 C ATOM 1057 O LEU A 69 98.967 100.892 -29.027 1.00 0.00 O ATOM 1058 CB LEU A 69 101.921 99.957 -29.766 1.00 0.00 C ATOM 1059 CG LEU A 69 102.783 98.758 -30.190 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.078 99.235 -30.836 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.096 97.787 -29.049 1.00 0.00 C ATOM 0 H LEU A 69 99.868 98.399 -29.882 1.00 0.00 H new ATOM 0 HA LEU A 69 101.578 99.495 -27.707 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.336 100.296 -30.621 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.574 100.782 -29.480 1.00 0.00 H new ATOM 0 HG LEU A 69 102.186 98.202 -30.913 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.677 98.373 -31.130 1.00 0.00 H new ATOM 0 HD12 LEU A 69 103.846 99.834 -31.717 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.639 99.840 -30.123 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.708 96.968 -29.426 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.638 98.312 -28.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.165 97.389 -28.645 1.00 0.00 H new ATOM 1073 N ILE A 70 100.324 101.608 -27.344 1.00 0.00 N ATOM 1074 CA ILE A 70 99.455 102.748 -27.103 1.00 0.00 C ATOM 1075 C ILE A 70 100.235 103.873 -26.437 1.00 0.00 C ATOM 1076 O ILE A 70 101.169 103.653 -25.678 1.00 0.00 O ATOM 1077 CB ILE A 70 98.313 102.349 -26.176 1.00 0.00 C ATOM 1078 CG1 ILE A 70 98.818 101.770 -24.861 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.390 101.342 -26.845 1.00 0.00 C ATOM 1080 CD1 ILE A 70 97.746 101.886 -23.777 1.00 0.00 C ATOM 0 H ILE A 70 101.133 101.512 -26.731 1.00 0.00 H new ATOM 0 HA ILE A 70 99.061 103.083 -28.063 1.00 0.00 H new ATOM 0 HB ILE A 70 97.758 103.262 -25.960 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.092 100.724 -24.999 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.719 102.297 -24.547 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.585 101.076 -26.160 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.967 101.780 -27.749 1.00 0.00 H new ATOM 0 HG23 ILE A 70 97.955 100.447 -27.106 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.125 101.467 -22.845 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.492 102.935 -23.627 1.00 0.00 H new ATOM 0 HD13 ILE A 70 96.856 101.338 -24.086 1.00 0.00 H new ATOM 1092 N ILE A 71 99.783 105.096 -26.749 1.00 0.00 N ATOM 1093 CA ILE A 71 100.727 106.197 -26.701 1.00 0.00 C ATOM 1094 C ILE A 71 100.637 106.914 -25.356 1.00 0.00 C ATOM 1095 O ILE A 71 99.600 106.937 -24.703 1.00 0.00 O ATOM 1096 CB ILE A 71 100.439 107.159 -27.842 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.011 107.709 -27.733 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.723 106.473 -29.180 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.697 108.812 -28.743 1.00 0.00 C ATOM 0 H ILE A 71 98.828 105.331 -27.020 1.00 0.00 H new ATOM 0 HA ILE A 71 101.740 105.810 -26.810 1.00 0.00 H new ATOM 0 HB ILE A 71 101.102 108.022 -27.779 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.305 106.890 -27.871 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.857 108.096 -26.726 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.515 107.166 -29.995 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.769 106.170 -29.219 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.087 105.594 -29.280 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.670 109.150 -28.605 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.379 109.649 -28.591 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.818 108.424 -29.755 1.00 0.00 H new ATOM 1111 N THR A 72 101.795 107.497 -24.992 1.00 0.00 N ATOM 1112 CA THR A 72 101.854 108.195 -23.721 1.00 0.00 C ATOM 1113 C THR A 72 101.212 109.578 -23.886 1.00 0.00 C ATOM 1114 O THR A 72 101.002 110.064 -24.990 1.00 0.00 O ATOM 1115 CB THR A 72 103.305 108.293 -23.210 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.909 109.473 -23.741 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.101 106.989 -23.463 1.00 0.00 C ATOM 0 H THR A 72 102.656 107.495 -25.538 1.00 0.00 H new ATOM 0 HA THR A 72 101.298 107.636 -22.969 1.00 0.00 H new ATOM 0 HB THR A 72 103.310 108.392 -22.125 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.832 109.542 -23.418 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.117 107.104 -23.087 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.615 106.160 -22.948 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.131 106.783 -24.533 1.00 0.00 H new ATOM 1125 N GLY A 73 100.918 110.175 -22.717 1.00 0.00 N ATOM 1126 CA GLY A 73 100.293 111.493 -22.756 1.00 0.00 C ATOM 1127 C GLY A 73 101.063 112.525 -23.613 1.00 0.00 C ATOM 1128 O GLY A 73 100.475 113.471 -24.125 1.00 0.00 O ATOM 0 H GLY A 73 101.093 109.789 -21.789 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.281 111.393 -23.147 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.205 111.873 -21.738 1.00 0.00 H new ATOM 1132 N GLU A 74 102.390 112.303 -23.748 1.00 0.00 N ATOM 1133 CA GLU A 74 103.161 113.174 -24.624 1.00 0.00 C ATOM 1134 C GLU A 74 102.592 113.178 -26.053 1.00 0.00 C ATOM 1135 O GLU A 74 102.328 114.228 -26.624 1.00 0.00 O ATOM 1136 CB GLU A 74 104.616 112.712 -24.673 1.00 0.00 C ATOM 1137 CG GLU A 74 105.244 112.589 -23.288 1.00 0.00 C ATOM 1138 CD GLU A 74 106.636 111.962 -23.399 1.00 0.00 C ATOM 1139 OE1 GLU A 74 107.395 112.371 -24.276 1.00 0.00 O ATOM 1140 OE2 GLU A 74 106.943 111.072 -22.609 1.00 0.00 O ATOM 0 H GLU A 74 102.916 111.564 -23.282 1.00 0.00 H new ATOM 0 HA GLU A 74 103.101 114.184 -24.219 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.669 111.748 -25.178 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.196 113.416 -25.269 1.00 0.00 H new ATOM 0 HG2 GLU A 74 105.315 113.572 -22.823 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.611 111.977 -22.645 1.00 0.00 H new ATOM 1147 N ALA A 75 102.398 111.950 -26.584 1.00 0.00 N ATOM 1148 CA ALA A 75 101.765 111.844 -27.891 1.00 0.00 C ATOM 1149 C ALA A 75 100.386 112.510 -27.904 1.00 0.00 C ATOM 1150 O ALA A 75 100.076 113.297 -28.786 1.00 0.00 O ATOM 1151 CB ALA A 75 101.562 110.372 -28.234 1.00 0.00 C ATOM 0 H ALA A 75 102.660 111.067 -26.145 1.00 0.00 H new ATOM 0 HA ALA A 75 102.415 112.340 -28.612 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.088 110.288 -29.212 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.528 109.867 -28.254 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.925 109.908 -27.481 1.00 0.00 H new ATOM 1157 N GLN A 76 99.591 112.180 -26.873 1.00 0.00 N ATOM 1158 CA GLN A 76 98.208 112.635 -26.878 1.00 0.00 C ATOM 1159 C GLN A 76 98.082 114.169 -27.060 1.00 0.00 C ATOM 1160 O GLN A 76 97.157 114.647 -27.706 1.00 0.00 O ATOM 1161 CB GLN A 76 97.571 112.211 -25.555 1.00 0.00 C ATOM 1162 CG GLN A 76 97.115 110.753 -25.578 1.00 0.00 C ATOM 1163 CD GLN A 76 96.839 110.272 -24.153 1.00 0.00 C ATOM 1164 OE1 GLN A 76 97.442 109.326 -23.661 1.00 0.00 O ATOM 1165 NE2 GLN A 76 95.889 110.992 -23.529 1.00 0.00 N ATOM 0 H GLN A 76 99.872 111.625 -26.064 1.00 0.00 H new ATOM 0 HA GLN A 76 97.697 112.183 -27.728 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.287 112.354 -24.746 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.717 112.854 -25.342 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.215 110.654 -26.185 1.00 0.00 H new ATOM 0 HG3 GLN A 76 97.881 110.130 -26.039 1.00 0.00 H new ATOM 0 HE21 GLN A 76 95.435 111.767 -24.014 1.00 0.00 H new ATOM 0 HE22 GLN A 76 95.622 110.763 -22.571 1.00 0.00 H new ATOM 1174 N ASP A 77 99.043 114.906 -26.470 1.00 0.00 N ATOM 1175 CA ASP A 77 99.086 116.340 -26.705 1.00 0.00 C ATOM 1176 C ASP A 77 99.443 116.660 -28.170 1.00 0.00 C ATOM 1177 O ASP A 77 98.825 117.507 -28.803 1.00 0.00 O ATOM 1178 CB ASP A 77 100.122 116.970 -25.776 1.00 0.00 C ATOM 1179 CG ASP A 77 99.802 118.451 -25.566 1.00 0.00 C ATOM 1180 OD1 ASP A 77 98.651 118.766 -25.264 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.706 119.272 -25.705 1.00 0.00 O ATOM 0 H ASP A 77 99.768 114.540 -25.853 1.00 0.00 H new ATOM 0 HA ASP A 77 98.097 116.752 -26.502 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.127 116.451 -24.818 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.119 116.862 -26.203 1.00 0.00 H new ATOM 1186 N ILE A 78 100.469 115.935 -28.665 1.00 0.00 N ATOM 1187 CA ILE A 78 100.953 116.204 -30.006 1.00 0.00 C ATOM 1188 C ILE A 78 99.865 115.930 -31.063 1.00 0.00 C ATOM 1189 O ILE A 78 99.643 116.731 -31.961 1.00 0.00 O ATOM 1190 CB ILE A 78 102.171 115.299 -30.249 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.361 115.642 -29.345 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.599 115.283 -31.719 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.404 117.102 -28.884 1.00 0.00 C ATOM 0 H ILE A 78 100.953 115.189 -28.166 1.00 0.00 H new ATOM 0 HA ILE A 78 101.226 117.256 -30.095 1.00 0.00 H new ATOM 0 HB ILE A 78 101.842 114.295 -29.983 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.333 114.997 -28.467 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.284 115.414 -29.878 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.463 114.630 -31.839 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.777 114.915 -32.333 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.862 116.293 -32.032 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.277 117.258 -28.250 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.466 117.756 -29.753 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.500 117.332 -28.320 1.00 0.00 H new ATOM 1205 N ILE A 79 99.222 114.757 -30.913 1.00 0.00 N ATOM 1206 CA ILE A 79 98.221 114.347 -31.879 1.00 0.00 C ATOM 1207 C ILE A 79 97.014 115.297 -31.899 1.00 0.00 C ATOM 1208 O ILE A 79 96.539 115.692 -32.955 1.00 0.00 O ATOM 1209 CB ILE A 79 97.712 112.953 -31.515 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.827 111.932 -31.274 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.721 112.459 -32.565 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.083 112.185 -32.105 1.00 0.00 C ATOM 0 H ILE A 79 99.381 114.101 -30.149 1.00 0.00 H new ATOM 0 HA ILE A 79 98.693 114.359 -32.861 1.00 0.00 H new ATOM 0 HB ILE A 79 97.199 113.051 -30.558 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.094 111.941 -30.217 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.449 110.935 -31.498 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.367 111.465 -32.292 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.875 113.144 -32.617 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.212 112.415 -33.537 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.828 111.422 -31.880 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.832 112.146 -33.165 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.487 113.168 -31.864 1.00 0.00 H new ATOM 1224 N SER A 80 96.536 115.629 -30.684 1.00 0.00 N ATOM 1225 CA SER A 80 95.399 116.535 -30.619 1.00 0.00 C ATOM 1226 C SER A 80 95.703 117.888 -31.292 1.00 0.00 C ATOM 1227 O SER A 80 94.916 118.394 -32.082 1.00 0.00 O ATOM 1228 CB SER A 80 95.027 116.753 -29.146 1.00 0.00 C ATOM 1229 OG SER A 80 94.960 115.576 -28.349 1.00 0.00 O ATOM 0 H SER A 80 96.900 115.301 -29.790 1.00 0.00 H new ATOM 0 HA SER A 80 94.566 116.086 -31.160 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.757 117.430 -28.702 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.060 117.254 -29.104 1.00 0.00 H new ATOM 0 HG SER A 80 95.786 115.485 -27.830 1.00 0.00 H new ATOM 1235 N ASN A 81 96.882 118.435 -30.940 1.00 0.00 N ATOM 1236 CA ASN A 81 97.238 119.712 -31.544 1.00 0.00 C ATOM 1237 C ASN A 81 97.482 119.577 -33.061 1.00 0.00 C ATOM 1238 O ASN A 81 97.015 120.386 -33.854 1.00 0.00 O ATOM 1239 CB ASN A 81 98.494 120.274 -30.872 1.00 0.00 C ATOM 1240 CG ASN A 81 98.435 121.804 -30.863 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.136 122.434 -29.856 1.00 0.00 O ATOM 1242 ND2 ASN A 81 98.742 122.348 -32.054 1.00 0.00 N ATOM 0 H ASN A 81 97.557 118.039 -30.286 1.00 0.00 H new ATOM 0 HA ASN A 81 96.400 120.393 -31.396 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.572 119.898 -29.852 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.384 119.938 -31.404 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.737 123.362 -32.168 1.00 0.00 H new ATOM 0 HD22 ASN A 81 98.980 121.747 -32.843 1.00 0.00 H new ATOM 1249 N ALA A 82 98.239 118.520 -33.413 1.00 0.00 N ATOM 1250 CA ALA A 82 98.650 118.375 -34.799 1.00 0.00 C ATOM 1251 C ALA A 82 97.458 118.113 -35.731 1.00 0.00 C ATOM 1252 O ALA A 82 97.326 118.728 -36.778 1.00 0.00 O ATOM 1253 CB ALA A 82 99.633 117.224 -34.928 1.00 0.00 C ATOM 0 H ALA A 82 98.561 117.789 -32.779 1.00 0.00 H new ATOM 0 HA ALA A 82 99.117 119.314 -35.096 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.937 117.120 -35.970 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.510 117.424 -34.312 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.158 116.301 -34.595 1.00 0.00 H new