USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 462 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 1 LEU N :NH3+ -159:sc= 0.0179 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -112:sc= -1.45 (180deg=-5.73!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc=-0.00678 K(o=-0.0068,f=-1.3!) USER MOD Single : A 16 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.7!) USER MOD Single : A 19 GLN : amide:sc=-0.00359 X(o=-0.0036,f=-0.15) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -130:sc= -1.64! USER MOD Single : A 32 SER OG : rot 180:sc= -0.0718 USER MOD Single : A 33 ASN : amide:sc= 0.0622 K(o=0.062,f=-1.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.086) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -40:sc= -1.5! USER MOD Single : A 52 ASN : amide:sc= -1.53! C(o=-1.5!,f=-9.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.36 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 40.603 48.423 -34.768 1.00 0.00 N ATOM 2 CA LEU A 1 41.587 49.407 -35.301 1.00 0.00 C ATOM 3 C LEU A 1 41.136 50.825 -34.944 1.00 0.00 C ATOM 4 O LEU A 1 40.282 51.020 -34.101 1.00 0.00 O ATOM 5 CB LEU A 1 41.677 49.268 -36.822 1.00 0.00 C ATOM 6 CG LEU A 1 43.107 48.899 -37.216 1.00 0.00 C ATOM 7 CD1 LEU A 1 43.161 47.426 -37.622 1.00 0.00 C ATOM 8 CD2 LEU A 1 43.552 49.769 -38.394 1.00 0.00 C ATOM 0 H1 LEU A 1 41.055 47.490 -34.686 1.00 0.00 H new ATOM 0 H2 LEU A 1 40.275 48.733 -33.831 1.00 0.00 H new ATOM 0 H3 LEU A 1 39.791 48.359 -35.415 1.00 0.00 H new ATOM 0 HA LEU A 1 42.566 49.215 -34.861 1.00 0.00 H new ATOM 0 HB2 LEU A 1 40.984 48.502 -37.170 1.00 0.00 H new ATOM 0 HB3 LEU A 1 41.386 50.203 -37.301 1.00 0.00 H new ATOM 0 HG LEU A 1 43.772 49.066 -36.368 1.00 0.00 H new ATOM 0 HD11 LEU A 1 44.181 47.163 -37.903 1.00 0.00 H new ATOM 0 HD12 LEU A 1 42.844 46.806 -36.784 1.00 0.00 H new ATOM 0 HD13 LEU A 1 42.496 47.258 -38.469 1.00 0.00 H new ATOM 0 HD21 LEU A 1 44.572 49.506 -38.675 1.00 0.00 H new ATOM 0 HD22 LEU A 1 42.887 49.602 -39.241 1.00 0.00 H new ATOM 0 HD23 LEU A 1 43.514 50.819 -38.105 1.00 0.00 H new ATOM 22 N LYS A 2 41.701 51.816 -35.577 1.00 0.00 N ATOM 23 CA LYS A 2 41.302 53.218 -35.270 1.00 0.00 C ATOM 24 C LYS A 2 40.491 53.787 -36.437 1.00 0.00 C ATOM 25 O LYS A 2 40.348 53.163 -37.470 1.00 0.00 O ATOM 26 CB LYS A 2 42.554 54.069 -35.055 1.00 0.00 C ATOM 27 CG LYS A 2 43.587 53.268 -34.261 1.00 0.00 C ATOM 28 CD LYS A 2 42.951 52.748 -32.971 1.00 0.00 C ATOM 29 CE LYS A 2 43.722 53.291 -31.767 1.00 0.00 C ATOM 30 NZ LYS A 2 44.575 52.211 -31.198 1.00 0.00 N ATOM 0 H LYS A 2 42.421 51.716 -36.293 1.00 0.00 H new ATOM 0 HA LYS A 2 40.694 53.232 -34.366 1.00 0.00 H new ATOM 0 HB2 LYS A 2 42.972 54.369 -36.016 1.00 0.00 H new ATOM 0 HB3 LYS A 2 42.297 54.983 -34.519 1.00 0.00 H new ATOM 0 HG2 LYS A 2 43.954 52.434 -34.859 1.00 0.00 H new ATOM 0 HG3 LYS A 2 44.447 53.895 -34.027 1.00 0.00 H new ATOM 0 HD2 LYS A 2 41.907 53.057 -32.917 1.00 0.00 H new ATOM 0 HD3 LYS A 2 42.961 51.658 -32.962 1.00 0.00 H new ATOM 0 HE2 LYS A 2 44.340 54.137 -32.068 1.00 0.00 H new ATOM 0 HE3 LYS A 2 43.027 53.657 -31.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 45.100 52.579 -30.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 43.975 51.417 -30.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 45.247 51.882 -31.921 1.00 0.00 H new ATOM 44 N LYS A 3 39.957 54.967 -36.279 1.00 0.00 N ATOM 45 CA LYS A 3 39.154 55.578 -37.374 1.00 0.00 C ATOM 46 C LYS A 3 39.072 57.091 -37.159 1.00 0.00 C ATOM 47 O LYS A 3 38.003 57.665 -37.157 1.00 0.00 O ATOM 48 CB LYS A 3 37.743 54.987 -37.361 1.00 0.00 C ATOM 49 CG LYS A 3 37.063 55.319 -36.030 1.00 0.00 C ATOM 50 CD LYS A 3 35.780 54.498 -35.895 1.00 0.00 C ATOM 51 CE LYS A 3 35.619 54.034 -34.447 1.00 0.00 C ATOM 52 NZ LYS A 3 36.477 52.841 -34.210 1.00 0.00 N ATOM 0 H LYS A 3 40.043 55.535 -35.436 1.00 0.00 H new ATOM 0 HA LYS A 3 39.628 55.370 -38.333 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.161 55.390 -38.190 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.788 53.907 -37.499 1.00 0.00 H new ATOM 0 HG2 LYS A 3 37.736 55.101 -35.201 1.00 0.00 H new ATOM 0 HG3 LYS A 3 36.833 56.383 -35.982 1.00 0.00 H new ATOM 0 HD2 LYS A 3 34.920 55.097 -36.193 1.00 0.00 H new ATOM 0 HD3 LYS A 3 35.815 53.637 -36.562 1.00 0.00 H new ATOM 0 HE2 LYS A 3 35.897 54.837 -33.764 1.00 0.00 H new ATOM 0 HE3 LYS A 3 34.576 53.791 -34.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 36.368 52.525 -33.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 36.192 52.075 -34.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 37.472 53.088 -34.386 1.00 0.00 H new ATOM 66 N VAL A 4 40.202 57.732 -36.977 1.00 0.00 N ATOM 67 CA VAL A 4 40.218 59.213 -36.753 1.00 0.00 C ATOM 68 C VAL A 4 39.157 59.865 -37.649 1.00 0.00 C ATOM 69 O VAL A 4 39.309 59.932 -38.852 1.00 0.00 O ATOM 70 CB VAL A 4 41.628 59.761 -37.083 1.00 0.00 C ATOM 71 CG1 VAL A 4 42.312 58.848 -38.102 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.549 61.177 -37.671 1.00 0.00 C ATOM 0 H VAL A 4 41.121 57.289 -36.974 1.00 0.00 H new ATOM 0 HA VAL A 4 39.989 59.444 -35.713 1.00 0.00 H new ATOM 0 HB VAL A 4 42.199 59.793 -36.155 1.00 0.00 H new ATOM 0 HG11 VAL A 4 43.304 59.237 -38.331 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.403 57.844 -37.687 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.717 58.811 -39.014 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.554 61.535 -37.893 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.960 61.158 -38.588 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.077 61.844 -36.950 1.00 0.00 H new ATOM 82 N VAL A 5 38.079 60.340 -37.078 1.00 0.00 N ATOM 83 CA VAL A 5 37.024 60.971 -37.921 1.00 0.00 C ATOM 84 C VAL A 5 37.278 62.472 -38.075 1.00 0.00 C ATOM 85 O VAL A 5 37.365 63.201 -37.109 1.00 0.00 O ATOM 86 CB VAL A 5 35.646 60.735 -37.316 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.436 61.694 -36.152 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.592 60.986 -38.392 1.00 0.00 C ATOM 0 H VAL A 5 37.887 60.318 -36.077 1.00 0.00 H new ATOM 0 HA VAL A 5 37.059 60.510 -38.908 1.00 0.00 H new ATOM 0 HB VAL A 5 35.564 59.711 -36.952 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.451 61.528 -35.717 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.201 61.521 -35.395 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.506 62.721 -36.510 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.599 60.821 -37.974 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.671 62.014 -38.746 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.753 60.302 -39.226 1.00 0.00 H new ATOM 98 N ALA A 6 37.387 62.935 -39.285 1.00 0.00 N ATOM 99 CA ALA A 6 37.641 64.383 -39.524 1.00 0.00 C ATOM 100 C ALA A 6 36.721 65.248 -38.658 1.00 0.00 C ATOM 101 O ALA A 6 35.859 64.760 -37.955 1.00 0.00 O ATOM 102 CB ALA A 6 37.384 64.705 -40.998 1.00 0.00 C ATOM 0 H ALA A 6 37.310 62.368 -40.129 1.00 0.00 H new ATOM 0 HA ALA A 6 38.677 64.600 -39.263 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.569 65.764 -41.177 1.00 0.00 H new ATOM 0 HB2 ALA A 6 38.051 64.110 -41.622 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.349 64.470 -41.247 1.00 0.00 H new ATOM 108 N LEU A 7 36.907 66.540 -38.721 1.00 0.00 N ATOM 109 CA LEU A 7 36.063 67.474 -37.926 1.00 0.00 C ATOM 110 C LEU A 7 35.887 68.766 -38.718 1.00 0.00 C ATOM 111 O LEU A 7 34.799 69.121 -39.123 1.00 0.00 O ATOM 112 CB LEU A 7 36.771 67.802 -36.610 1.00 0.00 C ATOM 113 CG LEU A 7 35.780 67.753 -35.453 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.821 68.939 -35.550 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.988 66.446 -35.503 1.00 0.00 C ATOM 0 H LEU A 7 37.617 66.991 -39.297 1.00 0.00 H new ATOM 0 HA LEU A 7 35.096 67.015 -37.722 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.579 67.092 -36.436 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.224 68.792 -36.669 1.00 0.00 H new ATOM 0 HG LEU A 7 36.326 67.804 -34.511 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.113 68.903 -34.722 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.387 69.869 -35.503 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.278 68.892 -36.494 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.281 66.417 -34.674 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.444 66.386 -36.446 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.673 65.602 -35.426 1.00 0.00 H new ATOM 127 N TYR A 8 36.962 69.469 -38.937 1.00 0.00 N ATOM 128 CA TYR A 8 36.888 70.741 -39.700 1.00 0.00 C ATOM 129 C TYR A 8 37.689 70.591 -40.998 1.00 0.00 C ATOM 130 O TYR A 8 38.781 70.059 -41.001 1.00 0.00 O ATOM 131 CB TYR A 8 37.474 71.868 -38.848 1.00 0.00 C ATOM 132 CG TYR A 8 36.713 71.957 -37.543 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.339 72.231 -37.551 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.381 71.774 -36.325 1.00 0.00 C ATOM 135 CE1 TYR A 8 34.635 72.324 -36.344 1.00 0.00 C ATOM 136 CE2 TYR A 8 36.676 71.865 -35.119 1.00 0.00 C ATOM 137 CZ TYR A 8 35.304 72.142 -35.128 1.00 0.00 C ATOM 138 OH TYR A 8 34.610 72.233 -33.939 1.00 0.00 O ATOM 0 H TYR A 8 37.896 69.213 -38.616 1.00 0.00 H new ATOM 0 HA TYR A 8 35.852 70.977 -39.943 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.530 71.681 -38.654 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.411 72.815 -39.384 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.822 72.371 -38.489 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.440 71.563 -36.317 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.576 72.536 -36.351 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.191 71.721 -34.181 1.00 0.00 H new ATOM 0 HH TYR A 8 35.223 72.080 -33.190 1.00 0.00 H new ATOM 148 N ASP A 9 37.149 71.042 -42.098 1.00 0.00 N ATOM 149 CA ASP A 9 37.869 70.914 -43.402 1.00 0.00 C ATOM 150 C ASP A 9 39.363 71.195 -43.213 1.00 0.00 C ATOM 151 O ASP A 9 39.750 72.206 -42.662 1.00 0.00 O ATOM 152 CB ASP A 9 37.293 71.916 -44.403 1.00 0.00 C ATOM 153 CG ASP A 9 37.506 71.395 -45.826 1.00 0.00 C ATOM 154 OD1 ASP A 9 37.758 70.211 -45.971 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.414 72.191 -46.747 1.00 0.00 O ATOM 0 H ASP A 9 36.237 71.496 -42.152 1.00 0.00 H new ATOM 0 HA ASP A 9 37.741 69.898 -43.777 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.230 72.065 -44.214 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.777 72.885 -44.283 1.00 0.00 H new ATOM 160 N TYR A 10 40.205 70.307 -43.674 1.00 0.00 N ATOM 161 CA TYR A 10 41.672 70.524 -43.530 1.00 0.00 C ATOM 162 C TYR A 10 42.386 70.039 -44.797 1.00 0.00 C ATOM 163 O TYR A 10 42.691 68.872 -44.940 1.00 0.00 O ATOM 164 CB TYR A 10 42.193 69.739 -42.327 1.00 0.00 C ATOM 165 CG TYR A 10 43.525 70.303 -41.898 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.574 71.338 -40.958 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.708 69.790 -42.440 1.00 0.00 C ATOM 168 CE1 TYR A 10 44.810 71.861 -40.558 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.945 70.313 -42.041 1.00 0.00 C ATOM 170 CZ TYR A 10 45.996 71.348 -41.101 1.00 0.00 C ATOM 171 OH TYR A 10 47.214 71.863 -40.707 1.00 0.00 O ATOM 0 H TYR A 10 39.939 69.442 -44.144 1.00 0.00 H new ATOM 0 HA TYR A 10 41.866 71.586 -43.382 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.480 69.797 -41.505 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.298 68.685 -42.585 1.00 0.00 H new ATOM 0 HD1 TYR A 10 42.659 71.733 -40.541 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.668 68.991 -43.166 1.00 0.00 H new ATOM 0 HE1 TYR A 10 44.849 72.659 -39.832 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.859 69.917 -42.459 1.00 0.00 H new ATOM 0 HH TYR A 10 47.935 71.395 -41.178 1.00 0.00 H new ATOM 181 N MET A 11 42.654 70.927 -45.714 1.00 0.00 N ATOM 182 CA MET A 11 43.345 70.523 -46.969 1.00 0.00 C ATOM 183 C MET A 11 44.849 70.400 -46.697 1.00 0.00 C ATOM 184 O MET A 11 45.319 70.792 -45.647 1.00 0.00 O ATOM 185 CB MET A 11 43.102 71.580 -48.054 1.00 0.00 C ATOM 186 CG MET A 11 41.786 72.314 -47.786 1.00 0.00 C ATOM 187 SD MET A 11 41.085 72.888 -49.352 1.00 0.00 S ATOM 188 CE MET A 11 39.577 71.888 -49.307 1.00 0.00 C ATOM 0 H MET A 11 42.423 71.918 -45.647 1.00 0.00 H new ATOM 0 HA MET A 11 42.955 69.564 -47.310 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.928 72.292 -48.071 1.00 0.00 H new ATOM 0 HB3 MET A 11 43.070 71.105 -49.035 1.00 0.00 H new ATOM 0 HG2 MET A 11 41.083 71.650 -47.282 1.00 0.00 H new ATOM 0 HG3 MET A 11 41.958 73.160 -47.121 1.00 0.00 H new ATOM 0 HE1 MET A 11 39.616 71.135 -50.094 1.00 0.00 H new ATOM 0 HE2 MET A 11 39.496 71.396 -48.338 1.00 0.00 H new ATOM 0 HE3 MET A 11 38.710 72.530 -49.462 1.00 0.00 H new ATOM 198 N PRO A 12 45.561 69.858 -47.654 1.00 0.00 N ATOM 199 CA PRO A 12 47.019 69.669 -47.546 1.00 0.00 C ATOM 200 C PRO A 12 47.748 70.993 -47.785 1.00 0.00 C ATOM 201 O PRO A 12 47.653 71.584 -48.843 1.00 0.00 O ATOM 202 CB PRO A 12 47.334 68.661 -48.655 1.00 0.00 C ATOM 203 CG PRO A 12 46.174 68.758 -49.674 1.00 0.00 C ATOM 204 CD PRO A 12 44.983 69.389 -48.929 1.00 0.00 C ATOM 0 HA PRO A 12 47.336 69.323 -46.562 1.00 0.00 H new ATOM 0 HB2 PRO A 12 48.288 68.891 -49.129 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.413 67.652 -48.252 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.461 69.367 -50.531 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.912 67.772 -50.058 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.549 70.212 -49.496 1.00 0.00 H new ATOM 0 HD3 PRO A 12 44.187 68.663 -48.762 1.00 0.00 H new ATOM 211 N MET A 13 48.472 71.467 -46.808 1.00 0.00 N ATOM 212 CA MET A 13 49.200 72.756 -46.982 1.00 0.00 C ATOM 213 C MET A 13 50.673 72.584 -46.596 1.00 0.00 C ATOM 214 O MET A 13 51.534 73.292 -47.079 1.00 0.00 O ATOM 215 CB MET A 13 48.562 73.825 -46.092 1.00 0.00 C ATOM 216 CG MET A 13 48.132 75.015 -46.951 1.00 0.00 C ATOM 217 SD MET A 13 49.597 75.916 -47.513 1.00 0.00 S ATOM 218 CE MET A 13 48.730 77.185 -48.469 1.00 0.00 C ATOM 0 H MET A 13 48.591 71.019 -45.899 1.00 0.00 H new ATOM 0 HA MET A 13 49.139 73.062 -48.026 1.00 0.00 H new ATOM 0 HB2 MET A 13 47.700 73.411 -45.569 1.00 0.00 H new ATOM 0 HB3 MET A 13 49.271 74.150 -45.331 1.00 0.00 H new ATOM 0 HG2 MET A 13 47.554 74.668 -47.808 1.00 0.00 H new ATOM 0 HG3 MET A 13 47.484 75.676 -46.376 1.00 0.00 H new ATOM 0 HE1 MET A 13 49.456 77.865 -48.914 1.00 0.00 H new ATOM 0 HE2 MET A 13 48.146 76.711 -49.258 1.00 0.00 H new ATOM 0 HE3 MET A 13 48.065 77.745 -47.812 1.00 0.00 H new ATOM 228 N ASN A 14 50.973 71.657 -45.726 1.00 0.00 N ATOM 229 CA ASN A 14 52.393 71.460 -45.316 1.00 0.00 C ATOM 230 C ASN A 14 52.632 69.992 -44.953 1.00 0.00 C ATOM 231 O ASN A 14 53.594 69.387 -45.383 1.00 0.00 O ATOM 232 CB ASN A 14 52.697 72.339 -44.101 1.00 0.00 C ATOM 233 CG ASN A 14 54.196 72.299 -43.805 1.00 0.00 C ATOM 234 OD1 ASN A 14 55.003 72.181 -44.706 1.00 0.00 O ATOM 235 ND2 ASN A 14 54.607 72.394 -42.570 1.00 0.00 N ATOM 0 H ASN A 14 50.300 71.031 -45.284 1.00 0.00 H new ATOM 0 HA ASN A 14 53.047 71.736 -46.143 1.00 0.00 H new ATOM 0 HB2 ASN A 14 52.381 73.364 -44.292 1.00 0.00 H new ATOM 0 HB3 ASN A 14 52.135 71.988 -43.235 1.00 0.00 H new ATOM 0 HD21 ASN A 14 55.605 72.369 -42.361 1.00 0.00 H new ATOM 0 HD22 ASN A 14 53.930 72.493 -41.813 1.00 0.00 H new ATOM 242 N ALA A 15 51.771 69.416 -44.160 1.00 0.00 N ATOM 243 CA ALA A 15 51.959 67.990 -43.766 1.00 0.00 C ATOM 244 C ALA A 15 51.295 67.075 -44.799 1.00 0.00 C ATOM 245 O ALA A 15 50.955 65.945 -44.511 1.00 0.00 O ATOM 246 CB ALA A 15 51.324 67.752 -42.395 1.00 0.00 C ATOM 0 H ALA A 15 50.946 69.870 -43.768 1.00 0.00 H new ATOM 0 HA ALA A 15 53.025 67.768 -43.720 1.00 0.00 H new ATOM 0 HB1 ALA A 15 51.461 66.710 -42.107 1.00 0.00 H new ATOM 0 HB2 ALA A 15 51.799 68.398 -41.657 1.00 0.00 H new ATOM 0 HB3 ALA A 15 50.259 67.978 -42.443 1.00 0.00 H new ATOM 252 N ASN A 16 51.111 67.551 -45.999 1.00 0.00 N ATOM 253 CA ASN A 16 50.473 66.706 -47.048 1.00 0.00 C ATOM 254 C ASN A 16 49.270 65.972 -46.451 1.00 0.00 C ATOM 255 O ASN A 16 48.951 64.865 -46.840 1.00 0.00 O ATOM 256 CB ASN A 16 51.489 65.685 -47.566 1.00 0.00 C ATOM 257 CG ASN A 16 52.268 66.286 -48.738 1.00 0.00 C ATOM 258 OD1 ASN A 16 52.200 67.474 -48.982 1.00 0.00 O ATOM 259 ND2 ASN A 16 53.010 65.509 -49.479 1.00 0.00 N ATOM 0 H ASN A 16 51.375 68.489 -46.299 1.00 0.00 H new ATOM 0 HA ASN A 16 50.140 67.338 -47.871 1.00 0.00 H new ATOM 0 HB2 ASN A 16 52.175 65.402 -46.767 1.00 0.00 H new ATOM 0 HB3 ASN A 16 50.977 64.777 -47.884 1.00 0.00 H new ATOM 0 HD21 ASN A 16 53.533 65.899 -50.263 1.00 0.00 H new ATOM 0 HD22 ASN A 16 53.067 64.511 -49.274 1.00 0.00 H new ATOM 266 N ASP A 17 48.599 66.577 -45.510 1.00 0.00 N ATOM 267 CA ASP A 17 47.417 65.909 -44.896 1.00 0.00 C ATOM 268 C ASP A 17 46.329 65.746 -45.954 1.00 0.00 C ATOM 269 O ASP A 17 46.281 66.481 -46.920 1.00 0.00 O ATOM 270 CB ASP A 17 46.888 66.763 -43.743 1.00 0.00 C ATOM 271 CG ASP A 17 47.904 66.762 -42.599 1.00 0.00 C ATOM 272 OD1 ASP A 17 48.187 65.692 -42.086 1.00 0.00 O ATOM 273 OD2 ASP A 17 48.384 67.831 -42.258 1.00 0.00 O ATOM 0 H ASP A 17 48.817 67.502 -45.141 1.00 0.00 H new ATOM 0 HA ASP A 17 47.706 64.930 -44.514 1.00 0.00 H new ATOM 0 HB2 ASP A 17 46.709 67.783 -44.084 1.00 0.00 H new ATOM 0 HB3 ASP A 17 45.932 66.371 -43.395 1.00 0.00 H new ATOM 278 N LEU A 18 45.459 64.785 -45.796 1.00 0.00 N ATOM 279 CA LEU A 18 44.398 64.596 -46.815 1.00 0.00 C ATOM 280 C LEU A 18 43.278 65.603 -46.588 1.00 0.00 C ATOM 281 O LEU A 18 42.957 65.960 -45.472 1.00 0.00 O ATOM 282 CB LEU A 18 43.865 63.176 -46.709 1.00 0.00 C ATOM 283 CG LEU A 18 45.045 62.229 -46.844 1.00 0.00 C ATOM 284 CD1 LEU A 18 44.799 60.967 -46.023 1.00 0.00 C ATOM 285 CD2 LEU A 18 45.237 61.869 -48.319 1.00 0.00 C ATOM 0 H LEU A 18 45.440 64.131 -45.013 1.00 0.00 H new ATOM 0 HA LEU A 18 44.806 64.756 -47.813 1.00 0.00 H new ATOM 0 HB2 LEU A 18 43.362 63.027 -45.754 1.00 0.00 H new ATOM 0 HB3 LEU A 18 43.129 62.984 -47.490 1.00 0.00 H new ATOM 0 HG LEU A 18 45.946 62.716 -46.471 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.650 60.294 -46.126 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.673 61.234 -44.974 1.00 0.00 H new ATOM 0 HD13 LEU A 18 43.898 60.470 -46.382 1.00 0.00 H new ATOM 0 HD21 LEU A 18 46.083 61.189 -48.420 1.00 0.00 H new ATOM 0 HD22 LEU A 18 44.336 61.385 -48.696 1.00 0.00 H new ATOM 0 HD23 LEU A 18 45.429 62.776 -48.893 1.00 0.00 H new ATOM 297 N GLN A 19 42.690 66.070 -47.649 1.00 0.00 N ATOM 298 CA GLN A 19 41.593 67.068 -47.517 1.00 0.00 C ATOM 299 C GLN A 19 40.470 66.475 -46.671 1.00 0.00 C ATOM 300 O GLN A 19 39.662 65.704 -47.148 1.00 0.00 O ATOM 301 CB GLN A 19 41.058 67.426 -48.906 1.00 0.00 C ATOM 302 CG GLN A 19 39.914 68.433 -48.768 1.00 0.00 C ATOM 303 CD GLN A 19 38.772 68.042 -49.708 1.00 0.00 C ATOM 304 OE1 GLN A 19 39.002 67.691 -50.849 1.00 0.00 O ATOM 305 NE2 GLN A 19 37.541 68.086 -49.275 1.00 0.00 N ATOM 0 H GLN A 19 42.921 65.804 -48.606 1.00 0.00 H new ATOM 0 HA GLN A 19 41.974 67.969 -47.035 1.00 0.00 H new ATOM 0 HB2 GLN A 19 41.856 67.848 -49.517 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.707 66.528 -49.415 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.559 68.457 -47.738 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.268 69.436 -49.006 1.00 0.00 H new ATOM 0 HE21 GLN A 19 37.347 68.380 -48.318 1.00 0.00 H new ATOM 0 HE22 GLN A 19 36.773 67.826 -49.894 1.00 0.00 H new ATOM 314 N LEU A 20 40.414 66.822 -45.414 1.00 0.00 N ATOM 315 CA LEU A 20 39.343 66.267 -44.546 1.00 0.00 C ATOM 316 C LEU A 20 37.976 66.614 -45.125 1.00 0.00 C ATOM 317 O LEU A 20 37.821 67.570 -45.859 1.00 0.00 O ATOM 318 CB LEU A 20 39.450 66.857 -43.136 1.00 0.00 C ATOM 319 CG LEU A 20 40.694 66.329 -42.400 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.312 65.997 -40.959 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.246 65.064 -43.071 1.00 0.00 C ATOM 0 H LEU A 20 41.061 67.463 -44.955 1.00 0.00 H new ATOM 0 HA LEU A 20 39.460 65.184 -44.498 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.496 67.944 -43.197 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.555 66.607 -42.566 1.00 0.00 H new ATOM 0 HG LEU A 20 41.465 67.099 -42.431 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.187 65.622 -40.428 1.00 0.00 H new ATOM 0 HD12 LEU A 20 39.945 66.896 -40.464 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.531 65.236 -40.956 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.124 64.717 -42.527 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.483 64.286 -43.063 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.523 65.290 -44.101 1.00 0.00 H new ATOM 333 N ARG A 21 36.981 65.850 -44.784 1.00 0.00 N ATOM 334 CA ARG A 21 35.611 66.134 -45.292 1.00 0.00 C ATOM 335 C ARG A 21 34.669 66.236 -44.102 1.00 0.00 C ATOM 336 O ARG A 21 33.477 66.023 -44.211 1.00 0.00 O ATOM 337 CB ARG A 21 35.155 65.011 -46.224 1.00 0.00 C ATOM 338 CG ARG A 21 34.483 65.612 -47.460 1.00 0.00 C ATOM 339 CD ARG A 21 32.980 65.753 -47.207 1.00 0.00 C ATOM 340 NE ARG A 21 32.343 64.406 -47.238 1.00 0.00 N ATOM 341 CZ ARG A 21 32.044 63.853 -48.381 1.00 0.00 C ATOM 342 NH1 ARG A 21 32.881 63.025 -48.944 1.00 0.00 N ATOM 343 NH2 ARG A 21 30.906 64.124 -48.960 1.00 0.00 N ATOM 0 H ARG A 21 37.056 65.037 -44.173 1.00 0.00 H new ATOM 0 HA ARG A 21 35.608 67.069 -45.852 1.00 0.00 H new ATOM 0 HB2 ARG A 21 36.009 64.402 -46.521 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.460 64.352 -45.704 1.00 0.00 H new ATOM 0 HG2 ARG A 21 34.917 66.586 -47.686 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.658 64.976 -48.328 1.00 0.00 H new ATOM 0 HD2 ARG A 21 32.806 66.227 -46.241 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.532 66.397 -47.964 1.00 0.00 H new ATOM 0 HE ARG A 21 32.141 63.917 -46.366 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.769 62.810 -48.490 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.647 62.593 -49.838 1.00 0.00 H new ATOM 0 HH21 ARG A 21 30.250 64.768 -48.519 1.00 0.00 H new ATOM 0 HH22 ARG A 21 30.673 63.691 -49.854 1.00 0.00 H new ATOM 357 N LYS A 22 35.219 66.572 -42.970 1.00 0.00 N ATOM 358 CA LYS A 22 34.414 66.712 -41.721 1.00 0.00 C ATOM 359 C LYS A 22 33.253 65.720 -41.726 1.00 0.00 C ATOM 360 O LYS A 22 32.196 65.989 -42.261 1.00 0.00 O ATOM 361 CB LYS A 22 33.865 68.137 -41.623 1.00 0.00 C ATOM 362 CG LYS A 22 34.963 69.136 -41.990 1.00 0.00 C ATOM 363 CD LYS A 22 34.396 70.193 -42.941 1.00 0.00 C ATOM 364 CE LYS A 22 33.577 71.211 -42.146 1.00 0.00 C ATOM 365 NZ LYS A 22 33.368 72.434 -42.972 1.00 0.00 N ATOM 0 H LYS A 22 36.215 66.760 -42.854 1.00 0.00 H new ATOM 0 HA LYS A 22 35.054 66.505 -40.864 1.00 0.00 H new ATOM 0 HB2 LYS A 22 33.013 68.256 -42.292 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.506 68.331 -40.612 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.351 69.612 -41.090 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.798 68.618 -42.462 1.00 0.00 H new ATOM 0 HD2 LYS A 22 35.207 70.695 -43.468 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.770 69.719 -43.697 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.616 70.781 -41.865 1.00 0.00 H new ATOM 0 HE3 LYS A 22 34.094 71.468 -41.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 32.811 73.127 -42.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 34.290 72.848 -43.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.857 72.182 -43.842 1.00 0.00 H new ATOM 379 N GLY A 23 33.438 64.572 -41.140 1.00 0.00 N ATOM 380 CA GLY A 23 32.341 63.567 -41.119 1.00 0.00 C ATOM 381 C GLY A 23 32.915 62.203 -41.485 1.00 0.00 C ATOM 382 O GLY A 23 33.038 61.328 -40.651 1.00 0.00 O ATOM 0 H GLY A 23 34.300 64.286 -40.675 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.882 63.530 -40.131 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.558 63.848 -41.824 1.00 0.00 H new ATOM 386 N ASP A 24 33.289 62.018 -42.720 1.00 0.00 N ATOM 387 CA ASP A 24 33.878 60.712 -43.113 1.00 0.00 C ATOM 388 C ASP A 24 34.963 60.375 -42.100 1.00 0.00 C ATOM 389 O ASP A 24 35.550 61.255 -41.503 1.00 0.00 O ATOM 390 CB ASP A 24 34.487 60.822 -44.513 1.00 0.00 C ATOM 391 CG ASP A 24 33.399 60.594 -45.563 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.796 59.535 -45.542 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.187 61.484 -46.370 1.00 0.00 O ATOM 0 H ASP A 24 33.213 62.709 -43.467 1.00 0.00 H new ATOM 0 HA ASP A 24 33.116 59.933 -43.129 1.00 0.00 H new ATOM 0 HB2 ASP A 24 34.938 61.805 -44.649 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.283 60.087 -44.633 1.00 0.00 H new ATOM 398 N GLU A 25 35.237 59.125 -41.875 1.00 0.00 N ATOM 399 CA GLU A 25 36.283 58.793 -40.873 1.00 0.00 C ATOM 400 C GLU A 25 37.595 58.460 -41.569 1.00 0.00 C ATOM 401 O GLU A 25 37.660 58.317 -42.774 1.00 0.00 O ATOM 402 CB GLU A 25 35.834 57.608 -40.018 1.00 0.00 C ATOM 403 CG GLU A 25 34.393 57.830 -39.558 1.00 0.00 C ATOM 404 CD GLU A 25 33.564 56.578 -39.847 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.980 55.797 -40.688 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.528 56.420 -39.224 1.00 0.00 O ATOM 0 H GLU A 25 34.791 58.330 -42.332 1.00 0.00 H new ATOM 0 HA GLU A 25 36.435 59.659 -40.230 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.906 56.684 -40.591 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.490 57.499 -39.155 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.371 58.055 -38.492 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.964 58.689 -40.073 1.00 0.00 H new ATOM 413 N TYR A 26 38.646 58.359 -40.809 1.00 0.00 N ATOM 414 CA TYR A 26 39.971 58.064 -41.401 1.00 0.00 C ATOM 415 C TYR A 26 40.629 56.917 -40.625 1.00 0.00 C ATOM 416 O TYR A 26 40.589 56.868 -39.409 1.00 0.00 O ATOM 417 CB TYR A 26 40.839 59.327 -41.322 1.00 0.00 C ATOM 418 CG TYR A 26 40.134 60.474 -42.018 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.894 60.939 -41.550 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.721 61.073 -43.138 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.250 61.994 -42.206 1.00 0.00 C ATOM 422 CE2 TYR A 26 40.074 62.131 -43.789 1.00 0.00 C ATOM 423 CZ TYR A 26 38.838 62.590 -43.322 1.00 0.00 C ATOM 424 OH TYR A 26 38.198 63.627 -43.966 1.00 0.00 O ATOM 0 H TYR A 26 38.641 58.470 -39.795 1.00 0.00 H new ATOM 0 HA TYR A 26 39.862 57.765 -42.444 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.031 59.584 -40.280 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.807 59.145 -41.789 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.438 60.482 -40.684 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.675 60.719 -43.501 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.295 62.348 -41.847 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.530 62.593 -44.652 1.00 0.00 H new ATOM 0 HH TYR A 26 38.166 63.445 -44.928 1.00 0.00 H new ATOM 434 N PHE A 27 41.236 55.998 -41.323 1.00 0.00 N ATOM 435 CA PHE A 27 41.901 54.852 -40.644 1.00 0.00 C ATOM 436 C PHE A 27 43.407 55.045 -40.736 1.00 0.00 C ATOM 437 O PHE A 27 43.935 55.391 -41.777 1.00 0.00 O ATOM 438 CB PHE A 27 41.506 53.542 -41.331 1.00 0.00 C ATOM 439 CG PHE A 27 40.107 53.156 -40.917 1.00 0.00 C ATOM 440 CD1 PHE A 27 39.027 53.987 -41.239 1.00 0.00 C ATOM 441 CD2 PHE A 27 39.888 51.966 -40.212 1.00 0.00 C ATOM 442 CE1 PHE A 27 37.728 53.628 -40.855 1.00 0.00 C ATOM 443 CE2 PHE A 27 38.590 51.607 -39.829 1.00 0.00 C ATOM 444 CZ PHE A 27 37.511 52.438 -40.151 1.00 0.00 C ATOM 0 H PHE A 27 41.300 55.992 -42.341 1.00 0.00 H new ATOM 0 HA PHE A 27 41.592 54.808 -39.600 1.00 0.00 H new ATOM 0 HB2 PHE A 27 41.557 53.657 -42.414 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.207 52.752 -41.061 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.195 54.905 -41.783 1.00 0.00 H new ATOM 0 HD2 PHE A 27 40.721 51.325 -39.964 1.00 0.00 H new ATOM 0 HE1 PHE A 27 36.895 54.269 -41.102 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.422 50.689 -39.285 1.00 0.00 H new ATOM 0 HZ PHE A 27 36.510 52.161 -39.856 1.00 0.00 H new ATOM 454 N ILE A 28 44.102 54.847 -39.655 1.00 0.00 N ATOM 455 CA ILE A 28 45.569 55.051 -39.678 1.00 0.00 C ATOM 456 C ILE A 28 46.279 53.854 -40.284 1.00 0.00 C ATOM 457 O ILE A 28 46.617 52.899 -39.613 1.00 0.00 O ATOM 458 CB ILE A 28 46.079 55.281 -38.262 1.00 0.00 C ATOM 459 CG1 ILE A 28 45.179 56.300 -37.550 1.00 0.00 C ATOM 460 CG2 ILE A 28 47.510 55.813 -38.333 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.716 57.379 -38.537 1.00 0.00 C ATOM 0 H ILE A 28 43.716 54.553 -38.758 1.00 0.00 H new ATOM 0 HA ILE A 28 45.781 55.925 -40.294 1.00 0.00 H new ATOM 0 HB ILE A 28 46.063 54.345 -37.704 1.00 0.00 H new ATOM 0 HG12 ILE A 28 44.314 55.795 -37.121 1.00 0.00 H new ATOM 0 HG13 ILE A 28 45.721 56.761 -36.724 1.00 0.00 H new ATOM 0 HG21 ILE A 28 47.886 55.982 -37.324 1.00 0.00 H new ATOM 0 HG22 ILE A 28 48.144 55.085 -38.840 1.00 0.00 H new ATOM 0 HG23 ILE A 28 47.522 56.752 -38.886 1.00 0.00 H new ATOM 0 HD11 ILE A 28 44.078 58.096 -38.020 1.00 0.00 H new ATOM 0 HD12 ILE A 28 45.585 57.895 -38.946 1.00 0.00 H new ATOM 0 HD13 ILE A 28 44.156 56.914 -39.348 1.00 0.00 H new ATOM 473 N LEU A 29 46.540 53.928 -41.551 1.00 0.00 N ATOM 474 CA LEU A 29 47.265 52.841 -42.233 1.00 0.00 C ATOM 475 C LEU A 29 48.588 52.623 -41.503 1.00 0.00 C ATOM 476 O LEU A 29 49.216 51.589 -41.618 1.00 0.00 O ATOM 477 CB LEU A 29 47.527 53.287 -43.666 1.00 0.00 C ATOM 478 CG LEU A 29 46.265 53.076 -44.494 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.081 53.755 -43.804 1.00 0.00 C ATOM 480 CD2 LEU A 29 46.469 53.685 -45.881 1.00 0.00 C ATOM 0 H LEU A 29 46.276 54.710 -42.150 1.00 0.00 H new ATOM 0 HA LEU A 29 46.693 51.913 -42.233 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.818 54.337 -43.685 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.355 52.719 -44.091 1.00 0.00 H new ATOM 0 HG LEU A 29 46.061 52.009 -44.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.179 53.604 -44.397 1.00 0.00 H new ATOM 0 HD12 LEU A 29 44.941 53.323 -42.813 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.278 54.823 -43.710 1.00 0.00 H new ATOM 0 HD21 LEU A 29 45.570 53.538 -46.479 1.00 0.00 H new ATOM 0 HD22 LEU A 29 46.669 54.752 -45.784 1.00 0.00 H new ATOM 0 HD23 LEU A 29 47.314 53.200 -46.371 1.00 0.00 H new ATOM 492 N GLU A 30 49.010 53.601 -40.745 1.00 0.00 N ATOM 493 CA GLU A 30 50.288 53.470 -39.991 1.00 0.00 C ATOM 494 C GLU A 30 50.172 54.240 -38.668 1.00 0.00 C ATOM 495 O GLU A 30 49.561 53.773 -37.729 1.00 0.00 O ATOM 496 CB GLU A 30 51.437 54.036 -40.829 1.00 0.00 C ATOM 497 CG GLU A 30 51.745 53.082 -41.985 1.00 0.00 C ATOM 498 CD GLU A 30 53.253 53.048 -42.233 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.864 54.104 -42.190 1.00 0.00 O ATOM 500 OE2 GLU A 30 53.773 51.969 -42.464 1.00 0.00 O ATOM 0 H GLU A 30 48.522 54.487 -40.616 1.00 0.00 H new ATOM 0 HA GLU A 30 50.488 52.419 -39.781 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.169 55.019 -41.216 1.00 0.00 H new ATOM 0 HB3 GLU A 30 52.323 54.169 -40.208 1.00 0.00 H new ATOM 0 HG2 GLU A 30 51.382 52.081 -41.751 1.00 0.00 H new ATOM 0 HG3 GLU A 30 51.225 53.407 -42.886 1.00 0.00 H new ATOM 507 N GLU A 31 50.741 55.416 -38.587 1.00 0.00 N ATOM 508 CA GLU A 31 50.646 56.202 -37.322 1.00 0.00 C ATOM 509 C GLU A 31 51.697 57.316 -37.328 1.00 0.00 C ATOM 510 O GLU A 31 52.220 57.685 -38.361 1.00 0.00 O ATOM 511 CB GLU A 31 50.891 55.284 -36.123 1.00 0.00 C ATOM 512 CG GLU A 31 49.625 55.215 -35.266 1.00 0.00 C ATOM 513 CD GLU A 31 49.133 53.769 -35.193 1.00 0.00 C ATOM 514 OE1 GLU A 31 49.957 52.892 -34.997 1.00 0.00 O ATOM 515 OE2 GLU A 31 47.939 53.562 -35.335 1.00 0.00 O ATOM 0 H GLU A 31 51.265 55.863 -39.339 1.00 0.00 H new ATOM 0 HA GLU A 31 49.650 56.639 -37.248 1.00 0.00 H new ATOM 0 HB2 GLU A 31 51.166 54.286 -36.465 1.00 0.00 H new ATOM 0 HB3 GLU A 31 51.725 55.658 -35.529 1.00 0.00 H new ATOM 0 HG2 GLU A 31 49.831 55.591 -34.264 1.00 0.00 H new ATOM 0 HG3 GLU A 31 48.850 55.852 -35.692 1.00 0.00 H new ATOM 522 N SER A 32 52.008 57.853 -36.179 1.00 0.00 N ATOM 523 CA SER A 32 53.024 58.942 -36.112 1.00 0.00 C ATOM 524 C SER A 32 53.025 59.554 -34.707 1.00 0.00 C ATOM 525 O SER A 32 52.079 59.412 -33.958 1.00 0.00 O ATOM 526 CB SER A 32 52.681 60.023 -37.139 1.00 0.00 C ATOM 527 OG SER A 32 53.796 60.222 -37.999 1.00 0.00 O ATOM 0 H SER A 32 51.602 57.584 -35.283 1.00 0.00 H new ATOM 0 HA SER A 32 54.010 58.533 -36.331 1.00 0.00 H new ATOM 0 HB2 SER A 32 51.807 59.726 -37.719 1.00 0.00 H new ATOM 0 HB3 SER A 32 52.426 60.954 -36.633 1.00 0.00 H new ATOM 0 HG SER A 32 53.580 60.913 -38.660 1.00 0.00 H new ATOM 533 N ASN A 33 54.079 60.234 -34.346 1.00 0.00 N ATOM 534 CA ASN A 33 54.140 60.854 -32.990 1.00 0.00 C ATOM 535 C ASN A 33 53.517 62.252 -33.039 1.00 0.00 C ATOM 536 O ASN A 33 53.092 62.789 -32.036 1.00 0.00 O ATOM 537 CB ASN A 33 55.600 60.962 -32.543 1.00 0.00 C ATOM 538 CG ASN A 33 56.403 61.721 -33.600 1.00 0.00 C ATOM 539 OD1 ASN A 33 56.800 61.157 -34.600 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.662 62.988 -33.420 1.00 0.00 N ATOM 0 H ASN A 33 54.901 60.387 -34.931 1.00 0.00 H new ATOM 0 HA ASN A 33 53.588 60.235 -32.283 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.661 61.478 -31.585 1.00 0.00 H new ATOM 0 HB3 ASN A 33 56.021 59.967 -32.396 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.197 63.503 -34.119 1.00 0.00 H new ATOM 0 HD22 ASN A 33 56.329 63.462 -32.581 1.00 0.00 H new ATOM 547 N LEU A 34 53.456 62.841 -34.202 1.00 0.00 N ATOM 548 CA LEU A 34 52.855 64.202 -34.322 1.00 0.00 C ATOM 549 C LEU A 34 51.328 64.074 -34.212 1.00 0.00 C ATOM 550 O LEU A 34 50.827 62.995 -33.961 1.00 0.00 O ATOM 551 CB LEU A 34 53.246 64.816 -35.673 1.00 0.00 C ATOM 552 CG LEU A 34 54.583 64.240 -36.146 1.00 0.00 C ATOM 553 CD1 LEU A 34 54.332 63.175 -37.214 1.00 0.00 C ATOM 554 CD2 LEU A 34 55.440 65.362 -36.739 1.00 0.00 C ATOM 0 H LEU A 34 53.796 62.439 -35.076 1.00 0.00 H new ATOM 0 HA LEU A 34 53.222 64.851 -33.527 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.471 64.611 -36.412 1.00 0.00 H new ATOM 0 HB3 LEU A 34 53.320 65.900 -35.581 1.00 0.00 H new ATOM 0 HG LEU A 34 55.103 63.791 -35.300 1.00 0.00 H new ATOM 0 HD11 LEU A 34 55.284 62.765 -37.550 1.00 0.00 H new ATOM 0 HD12 LEU A 34 53.721 62.376 -36.794 1.00 0.00 H new ATOM 0 HD13 LEU A 34 53.811 63.624 -38.060 1.00 0.00 H new ATOM 0 HD21 LEU A 34 56.392 64.953 -37.076 1.00 0.00 H new ATOM 0 HD22 LEU A 34 54.918 65.810 -37.584 1.00 0.00 H new ATOM 0 HD23 LEU A 34 55.620 66.122 -35.979 1.00 0.00 H new ATOM 566 N PRO A 35 50.625 65.168 -34.394 1.00 0.00 N ATOM 567 CA PRO A 35 49.157 65.174 -34.306 1.00 0.00 C ATOM 568 C PRO A 35 48.549 64.603 -35.588 1.00 0.00 C ATOM 569 O PRO A 35 47.400 64.207 -35.621 1.00 0.00 O ATOM 570 CB PRO A 35 48.811 66.654 -34.129 1.00 0.00 C ATOM 571 CG PRO A 35 50.017 67.455 -34.675 1.00 0.00 C ATOM 572 CD PRO A 35 51.215 66.486 -34.707 1.00 0.00 C ATOM 0 HA PRO A 35 48.768 64.561 -33.493 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.900 66.907 -34.671 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.633 66.888 -33.079 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.805 67.842 -35.672 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.231 68.314 -34.039 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.699 66.484 -35.684 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.973 66.766 -33.976 1.00 0.00 H new ATOM 579 N TRP A 36 49.318 64.538 -36.639 1.00 0.00 N ATOM 580 CA TRP A 36 48.795 63.972 -37.913 1.00 0.00 C ATOM 581 C TRP A 36 49.385 62.576 -38.104 1.00 0.00 C ATOM 582 O TRP A 36 50.492 62.303 -37.680 1.00 0.00 O ATOM 583 CB TRP A 36 49.200 64.869 -39.085 1.00 0.00 C ATOM 584 CG TRP A 36 50.613 65.319 -38.906 1.00 0.00 C ATOM 585 CD1 TRP A 36 51.705 64.545 -39.102 1.00 0.00 C ATOM 586 CD2 TRP A 36 51.107 66.629 -38.502 1.00 0.00 C ATOM 587 NE1 TRP A 36 52.838 65.295 -38.844 1.00 0.00 N ATOM 588 CE2 TRP A 36 52.522 66.586 -38.471 1.00 0.00 C ATOM 589 CE3 TRP A 36 50.473 67.838 -38.164 1.00 0.00 C ATOM 590 CZ2 TRP A 36 53.279 67.703 -38.116 1.00 0.00 C ATOM 591 CZ3 TRP A 36 51.232 68.964 -37.807 1.00 0.00 C ATOM 592 CH2 TRP A 36 52.633 68.896 -37.782 1.00 0.00 C ATOM 0 H TRP A 36 50.288 64.853 -36.670 1.00 0.00 H new ATOM 0 HA TRP A 36 47.707 63.915 -37.875 1.00 0.00 H new ATOM 0 HB2 TRP A 36 49.097 64.326 -40.024 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.537 65.732 -39.141 1.00 0.00 H new ATOM 0 HD1 TRP A 36 51.694 63.510 -39.410 1.00 0.00 H new ATOM 0 HE1 TRP A 36 53.790 64.938 -38.920 1.00 0.00 H new ATOM 0 HE3 TRP A 36 49.395 67.901 -38.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 54.357 67.646 -38.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 50.735 69.888 -37.550 1.00 0.00 H new ATOM 0 HH2 TRP A 36 53.212 69.765 -37.505 1.00 0.00 H new ATOM 603 N TRP A 37 48.667 61.685 -38.729 1.00 0.00 N ATOM 604 CA TRP A 37 49.215 60.314 -38.925 1.00 0.00 C ATOM 605 C TRP A 37 49.228 59.978 -40.409 1.00 0.00 C ATOM 606 O TRP A 37 49.209 60.848 -41.252 1.00 0.00 O ATOM 607 CB TRP A 37 48.346 59.298 -38.180 1.00 0.00 C ATOM 608 CG TRP A 37 47.957 59.855 -36.848 1.00 0.00 C ATOM 609 CD1 TRP A 37 47.099 60.881 -36.658 1.00 0.00 C ATOM 610 CD2 TRP A 37 48.394 59.435 -35.523 1.00 0.00 C ATOM 611 NE1 TRP A 37 46.980 61.120 -35.301 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.759 60.254 -34.559 1.00 0.00 C ATOM 613 CE3 TRP A 37 49.270 58.434 -35.067 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.985 60.087 -33.192 1.00 0.00 C ATOM 615 CZ3 TRP A 37 49.500 58.262 -33.692 1.00 0.00 C ATOM 616 CH2 TRP A 37 48.859 59.087 -32.756 1.00 0.00 C ATOM 0 H TRP A 37 47.734 61.844 -39.109 1.00 0.00 H new ATOM 0 HA TRP A 37 50.232 60.275 -38.534 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.455 59.068 -38.764 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.891 58.363 -38.050 1.00 0.00 H new ATOM 0 HD1 TRP A 37 46.589 61.426 -37.439 1.00 0.00 H new ATOM 0 HE1 TRP A 37 46.389 61.847 -34.898 1.00 0.00 H new ATOM 0 HE3 TRP A 37 49.769 57.793 -35.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.488 60.726 -32.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 50.175 57.490 -33.353 1.00 0.00 H new ATOM 0 HH2 TRP A 37 49.040 58.950 -31.700 1.00 0.00 H new ATOM 627 N ARG A 38 49.248 58.719 -40.729 1.00 0.00 N ATOM 628 CA ARG A 38 49.246 58.302 -42.157 1.00 0.00 C ATOM 629 C ARG A 38 47.986 57.482 -42.394 1.00 0.00 C ATOM 630 O ARG A 38 47.992 56.270 -42.302 1.00 0.00 O ATOM 631 CB ARG A 38 50.481 57.448 -42.449 1.00 0.00 C ATOM 632 CG ARG A 38 50.762 57.450 -43.952 1.00 0.00 C ATOM 633 CD ARG A 38 52.123 58.097 -44.216 1.00 0.00 C ATOM 634 NE ARG A 38 52.992 57.142 -44.959 1.00 0.00 N ATOM 635 CZ ARG A 38 53.780 57.576 -45.904 1.00 0.00 C ATOM 636 NH1 ARG A 38 55.014 57.898 -45.630 1.00 0.00 N ATOM 637 NH2 ARG A 38 53.332 57.689 -47.125 1.00 0.00 N ATOM 0 H ARG A 38 49.266 57.952 -40.057 1.00 0.00 H new ATOM 0 HA ARG A 38 49.266 59.173 -42.811 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.342 57.839 -41.907 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.321 56.428 -42.100 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.752 56.430 -44.336 1.00 0.00 H new ATOM 0 HG3 ARG A 38 49.979 57.997 -44.478 1.00 0.00 H new ATOM 0 HD2 ARG A 38 51.996 59.013 -44.792 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.594 58.376 -43.273 1.00 0.00 H new ATOM 0 HE ARG A 38 52.971 56.149 -44.729 1.00 0.00 H new ATOM 0 HH11 ARG A 38 55.364 57.811 -44.676 1.00 0.00 H new ATOM 0 HH12 ARG A 38 55.629 58.237 -46.370 1.00 0.00 H new ATOM 0 HH21 ARG A 38 52.367 57.438 -47.339 1.00 0.00 H new ATOM 0 HH22 ARG A 38 53.947 58.028 -47.865 1.00 0.00 H new ATOM 651 N ALA A 39 46.893 58.135 -42.659 1.00 0.00 N ATOM 652 CA ALA A 39 45.625 57.392 -42.854 1.00 0.00 C ATOM 653 C ALA A 39 45.040 57.669 -44.234 1.00 0.00 C ATOM 654 O ALA A 39 45.353 58.651 -44.876 1.00 0.00 O ATOM 655 CB ALA A 39 44.622 57.851 -41.792 1.00 0.00 C ATOM 0 H ALA A 39 46.824 59.149 -42.749 1.00 0.00 H new ATOM 0 HA ALA A 39 45.824 56.324 -42.767 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.683 57.313 -41.922 1.00 0.00 H new ATOM 0 HB2 ALA A 39 45.023 57.646 -40.800 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.445 58.921 -41.897 1.00 0.00 H new ATOM 661 N ARG A 40 44.162 56.812 -44.675 1.00 0.00 N ATOM 662 CA ARG A 40 43.511 57.017 -45.996 1.00 0.00 C ATOM 663 C ARG A 40 42.061 57.420 -45.740 1.00 0.00 C ATOM 664 O ARG A 40 41.228 56.599 -45.408 1.00 0.00 O ATOM 665 CB ARG A 40 43.554 55.715 -46.802 1.00 0.00 C ATOM 666 CG ARG A 40 42.744 55.885 -48.089 1.00 0.00 C ATOM 667 CD ARG A 40 43.197 54.849 -49.119 1.00 0.00 C ATOM 668 NE ARG A 40 42.086 53.892 -49.383 1.00 0.00 N ATOM 669 CZ ARG A 40 42.148 53.088 -50.409 1.00 0.00 C ATOM 670 NH1 ARG A 40 41.601 53.433 -51.542 1.00 0.00 N ATOM 671 NH2 ARG A 40 42.755 51.937 -50.301 1.00 0.00 N ATOM 0 H ARG A 40 43.867 55.974 -44.173 1.00 0.00 H new ATOM 0 HA ARG A 40 44.029 57.791 -46.563 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.586 55.456 -47.040 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.148 54.895 -46.210 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.681 55.765 -47.880 1.00 0.00 H new ATOM 0 HG3 ARG A 40 42.879 56.891 -48.486 1.00 0.00 H new ATOM 0 HD2 ARG A 40 43.492 55.345 -50.044 1.00 0.00 H new ATOM 0 HD3 ARG A 40 44.073 54.314 -48.751 1.00 0.00 H new ATOM 0 HE ARG A 40 41.277 53.865 -48.762 1.00 0.00 H new ATOM 0 HH11 ARG A 40 41.125 54.331 -51.626 1.00 0.00 H new ATOM 0 HH12 ARG A 40 41.649 52.805 -52.344 1.00 0.00 H new ATOM 0 HH21 ARG A 40 43.181 51.666 -49.415 1.00 0.00 H new ATOM 0 HH22 ARG A 40 42.803 51.309 -51.103 1.00 0.00 H new ATOM 685 N ASP A 41 41.759 58.680 -45.863 1.00 0.00 N ATOM 686 CA ASP A 41 40.368 59.140 -45.597 1.00 0.00 C ATOM 687 C ASP A 41 39.366 58.227 -46.297 1.00 0.00 C ATOM 688 O ASP A 41 39.726 57.327 -47.031 1.00 0.00 O ATOM 689 CB ASP A 41 40.191 60.564 -46.111 1.00 0.00 C ATOM 690 CG ASP A 41 40.255 60.571 -47.639 1.00 0.00 C ATOM 691 OD1 ASP A 41 40.548 59.530 -48.203 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.009 61.616 -48.218 1.00 0.00 O ATOM 0 H ASP A 41 42.414 59.412 -46.136 1.00 0.00 H new ATOM 0 HA ASP A 41 40.190 59.110 -44.522 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.235 60.966 -45.775 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.969 61.208 -45.702 1.00 0.00 H new ATOM 697 N LYS A 42 38.106 58.464 -46.077 1.00 0.00 N ATOM 698 CA LYS A 42 37.063 57.621 -46.726 1.00 0.00 C ATOM 699 C LYS A 42 36.972 57.983 -48.208 1.00 0.00 C ATOM 700 O LYS A 42 36.304 57.321 -48.977 1.00 0.00 O ATOM 701 CB LYS A 42 35.711 57.869 -46.052 1.00 0.00 C ATOM 702 CG LYS A 42 35.020 56.530 -45.788 1.00 0.00 C ATOM 703 CD LYS A 42 34.724 55.836 -47.119 1.00 0.00 C ATOM 704 CE LYS A 42 34.192 54.426 -46.850 1.00 0.00 C ATOM 705 NZ LYS A 42 35.030 53.433 -47.580 1.00 0.00 N ATOM 0 H LYS A 42 37.750 59.206 -45.475 1.00 0.00 H new ATOM 0 HA LYS A 42 37.328 56.569 -46.624 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.853 58.408 -45.115 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.085 58.495 -46.688 1.00 0.00 H new ATOM 0 HG2 LYS A 42 35.656 55.897 -45.169 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.094 56.689 -45.235 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.992 56.411 -47.686 1.00 0.00 H new ATOM 0 HD3 LYS A 42 35.629 55.786 -47.725 1.00 0.00 H new ATOM 0 HE2 LYS A 42 34.210 54.217 -45.780 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.154 54.349 -47.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 34.670 52.474 -47.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 34.991 53.630 -48.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 36.014 53.501 -47.251 1.00 0.00 H new ATOM 719 N ASN A 43 37.645 59.023 -48.618 1.00 0.00 N ATOM 720 CA ASN A 43 37.604 59.418 -50.051 1.00 0.00 C ATOM 721 C ASN A 43 38.561 58.528 -50.844 1.00 0.00 C ATOM 722 O ASN A 43 38.752 58.706 -52.031 1.00 0.00 O ATOM 723 CB ASN A 43 38.032 60.881 -50.192 1.00 0.00 C ATOM 724 CG ASN A 43 37.123 61.583 -51.201 1.00 0.00 C ATOM 725 OD1 ASN A 43 36.863 62.764 -51.084 1.00 0.00 O ATOM 726 ND2 ASN A 43 36.624 60.900 -52.195 1.00 0.00 N ATOM 0 H ASN A 43 38.221 59.616 -48.021 1.00 0.00 H new ATOM 0 HA ASN A 43 36.590 59.301 -50.434 1.00 0.00 H new ATOM 0 HB2 ASN A 43 37.976 61.382 -49.226 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.070 60.937 -50.521 1.00 0.00 H new ATOM 0 HD21 ASN A 43 36.016 61.358 -52.874 1.00 0.00 H new ATOM 0 HD22 ASN A 43 36.842 59.909 -52.293 1.00 0.00 H new ATOM 733 N GLY A 44 39.165 57.566 -50.197 1.00 0.00 N ATOM 734 CA GLY A 44 40.108 56.664 -50.912 1.00 0.00 C ATOM 735 C GLY A 44 41.402 57.417 -51.218 1.00 0.00 C ATOM 736 O GLY A 44 41.975 57.278 -52.280 1.00 0.00 O ATOM 0 H GLY A 44 39.044 57.368 -49.204 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.321 55.786 -50.302 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.655 56.307 -51.837 1.00 0.00 H new ATOM 740 N GLN A 45 41.871 58.212 -50.295 1.00 0.00 N ATOM 741 CA GLN A 45 43.127 58.964 -50.534 1.00 0.00 C ATOM 742 C GLN A 45 44.054 58.763 -49.340 1.00 0.00 C ATOM 743 O GLN A 45 43.716 59.091 -48.219 1.00 0.00 O ATOM 744 CB GLN A 45 42.807 60.451 -50.694 1.00 0.00 C ATOM 745 CG GLN A 45 43.516 60.995 -51.936 1.00 0.00 C ATOM 746 CD GLN A 45 43.698 62.507 -51.800 1.00 0.00 C ATOM 747 OE1 GLN A 45 42.761 63.219 -51.495 1.00 0.00 O ATOM 748 NE2 GLN A 45 44.873 63.032 -52.015 1.00 0.00 N ATOM 0 H GLN A 45 41.435 58.371 -49.386 1.00 0.00 H new ATOM 0 HA GLN A 45 43.611 58.604 -51.441 1.00 0.00 H new ATOM 0 HB2 GLN A 45 41.730 60.594 -50.785 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.128 61.000 -49.809 1.00 0.00 H new ATOM 0 HG2 GLN A 45 44.485 60.511 -52.055 1.00 0.00 H new ATOM 0 HG3 GLN A 45 42.934 60.767 -52.829 1.00 0.00 H new ATOM 0 HE21 GLN A 45 45.659 62.435 -52.271 1.00 0.00 H new ATOM 0 HE22 GLN A 45 45.005 64.040 -51.927 1.00 0.00 H new ATOM 757 N GLU A 46 45.218 58.224 -49.567 1.00 0.00 N ATOM 758 CA GLU A 46 46.164 58.007 -48.442 1.00 0.00 C ATOM 759 C GLU A 46 46.993 59.272 -48.245 1.00 0.00 C ATOM 760 O GLU A 46 47.597 59.781 -49.168 1.00 0.00 O ATOM 761 CB GLU A 46 47.090 56.834 -48.763 1.00 0.00 C ATOM 762 CG GLU A 46 46.284 55.713 -49.420 1.00 0.00 C ATOM 763 CD GLU A 46 47.238 54.706 -50.066 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.424 54.987 -50.107 1.00 0.00 O ATOM 765 OE2 GLU A 46 46.765 53.673 -50.509 1.00 0.00 O ATOM 0 H GLU A 46 45.554 57.925 -50.482 1.00 0.00 H new ATOM 0 HA GLU A 46 45.608 57.781 -47.532 1.00 0.00 H new ATOM 0 HB2 GLU A 46 47.890 57.160 -49.428 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.563 56.470 -47.851 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.662 55.215 -48.676 1.00 0.00 H new ATOM 0 HG3 GLU A 46 45.612 56.127 -50.172 1.00 0.00 H new ATOM 772 N GLY A 47 47.021 59.790 -47.052 1.00 0.00 N ATOM 773 CA GLY A 47 47.806 61.029 -46.803 1.00 0.00 C ATOM 774 C GLY A 47 47.982 61.235 -45.299 1.00 0.00 C ATOM 775 O GLY A 47 47.961 60.295 -44.529 1.00 0.00 O ATOM 0 H GLY A 47 46.536 59.411 -46.239 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.780 60.957 -47.286 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.296 61.888 -47.240 1.00 0.00 H new ATOM 779 N TYR A 48 48.156 62.456 -44.868 1.00 0.00 N ATOM 780 CA TYR A 48 48.329 62.702 -43.409 1.00 0.00 C ATOM 781 C TYR A 48 47.020 63.234 -42.823 1.00 0.00 C ATOM 782 O TYR A 48 46.267 63.918 -43.481 1.00 0.00 O ATOM 783 CB TYR A 48 49.462 63.709 -43.177 1.00 0.00 C ATOM 784 CG TYR A 48 50.777 63.087 -43.578 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.047 62.827 -44.928 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.730 62.769 -42.600 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.267 62.250 -45.299 1.00 0.00 C ATOM 788 CE2 TYR A 48 52.949 62.192 -42.973 1.00 0.00 C ATOM 789 CZ TYR A 48 53.218 61.932 -44.323 1.00 0.00 C ATOM 790 OH TYR A 48 54.421 61.363 -44.689 1.00 0.00 O ATOM 0 H TYR A 48 48.186 63.287 -45.459 1.00 0.00 H new ATOM 0 HA TYR A 48 48.589 61.767 -42.913 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.283 64.614 -43.758 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.492 64.004 -42.128 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.314 63.072 -45.682 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.523 62.969 -41.559 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.475 62.050 -46.340 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.683 61.947 -42.220 1.00 0.00 H new ATOM 0 HH TYR A 48 54.966 61.207 -43.889 1.00 0.00 H new ATOM 800 N ILE A 49 46.724 62.909 -41.597 1.00 0.00 N ATOM 801 CA ILE A 49 45.446 63.388 -40.997 1.00 0.00 C ATOM 802 C ILE A 49 45.682 63.817 -39.541 1.00 0.00 C ATOM 803 O ILE A 49 46.047 63.002 -38.716 1.00 0.00 O ATOM 804 CB ILE A 49 44.435 62.250 -41.041 1.00 0.00 C ATOM 805 CG1 ILE A 49 43.961 62.040 -42.476 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.235 62.563 -40.147 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.047 61.292 -43.247 1.00 0.00 C ATOM 0 H ILE A 49 47.306 62.336 -40.986 1.00 0.00 H new ATOM 0 HA ILE A 49 45.070 64.244 -41.557 1.00 0.00 H new ATOM 0 HB ILE A 49 44.916 61.342 -40.677 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.031 61.472 -42.487 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.754 63.000 -42.950 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.523 61.739 -40.191 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.572 62.697 -39.119 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.753 63.477 -40.492 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.721 61.135 -44.275 1.00 0.00 H new ATOM 0 HD12 ILE A 49 45.966 61.879 -43.243 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.231 60.328 -42.774 1.00 0.00 H new ATOM 819 N PRO A 50 45.470 65.084 -39.266 1.00 0.00 N ATOM 820 CA PRO A 50 45.659 65.647 -37.914 1.00 0.00 C ATOM 821 C PRO A 50 44.486 65.272 -37.000 1.00 0.00 C ATOM 822 O PRO A 50 43.382 65.045 -37.453 1.00 0.00 O ATOM 823 CB PRO A 50 45.700 67.159 -38.157 1.00 0.00 C ATOM 824 CG PRO A 50 44.983 67.404 -39.506 1.00 0.00 C ATOM 825 CD PRO A 50 45.021 66.068 -40.272 1.00 0.00 C ATOM 0 HA PRO A 50 46.555 65.273 -37.419 1.00 0.00 H new ATOM 0 HB2 PRO A 50 45.202 67.696 -37.349 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.728 67.519 -38.193 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.955 67.730 -39.345 1.00 0.00 H new ATOM 0 HG3 PRO A 50 45.482 68.190 -40.073 1.00 0.00 H new ATOM 0 HD2 PRO A 50 44.040 65.810 -40.671 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.707 66.114 -41.118 1.00 0.00 H new ATOM 832 N SER A 51 44.721 65.203 -35.717 1.00 0.00 N ATOM 833 CA SER A 51 43.625 64.839 -34.773 1.00 0.00 C ATOM 834 C SER A 51 42.960 66.109 -34.235 1.00 0.00 C ATOM 835 O SER A 51 41.802 66.105 -33.866 1.00 0.00 O ATOM 836 CB SER A 51 44.202 64.038 -33.607 1.00 0.00 C ATOM 837 OG SER A 51 44.827 62.861 -34.106 1.00 0.00 O ATOM 0 H SER A 51 45.626 65.383 -35.282 1.00 0.00 H new ATOM 0 HA SER A 51 42.883 64.238 -35.300 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.925 64.642 -33.059 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.410 63.773 -32.906 1.00 0.00 H new ATOM 0 HG SER A 51 44.283 62.482 -34.828 1.00 0.00 H new ATOM 843 N ASN A 52 43.683 67.195 -34.180 1.00 0.00 N ATOM 844 CA ASN A 52 43.090 68.461 -33.657 1.00 0.00 C ATOM 845 C ASN A 52 41.908 68.879 -34.536 1.00 0.00 C ATOM 846 O ASN A 52 41.110 69.716 -34.161 1.00 0.00 O ATOM 847 CB ASN A 52 44.151 69.564 -33.671 1.00 0.00 C ATOM 848 CG ASN A 52 44.931 69.506 -34.986 1.00 0.00 C ATOM 849 OD1 ASN A 52 45.435 68.466 -35.362 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.053 70.588 -35.706 1.00 0.00 N ATOM 0 H ASN A 52 44.657 67.261 -34.474 1.00 0.00 H new ATOM 0 HA ASN A 52 42.742 68.302 -32.636 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.678 70.540 -33.559 1.00 0.00 H new ATOM 0 HB3 ASN A 52 44.830 69.441 -32.827 1.00 0.00 H new ATOM 0 HD21 ASN A 52 45.571 70.561 -36.584 1.00 0.00 H new ATOM 0 HD22 ASN A 52 44.630 71.461 -35.391 1.00 0.00 H new ATOM 857 N TYR A 53 41.788 68.303 -35.700 1.00 0.00 N ATOM 858 CA TYR A 53 40.656 68.668 -36.602 1.00 0.00 C ATOM 859 C TYR A 53 39.814 67.423 -36.881 1.00 0.00 C ATOM 860 O TYR A 53 39.177 67.309 -37.909 1.00 0.00 O ATOM 861 CB TYR A 53 41.212 69.208 -37.921 1.00 0.00 C ATOM 862 CG TYR A 53 41.312 70.713 -37.856 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.884 71.330 -36.736 1.00 0.00 C ATOM 864 CD2 TYR A 53 40.834 71.491 -38.916 1.00 0.00 C ATOM 865 CE1 TYR A 53 41.978 72.725 -36.679 1.00 0.00 C ATOM 866 CE2 TYR A 53 40.927 72.886 -38.859 1.00 0.00 C ATOM 867 CZ TYR A 53 41.500 73.503 -37.740 1.00 0.00 C ATOM 868 OH TYR A 53 41.593 74.879 -37.685 1.00 0.00 O ATOM 0 H TYR A 53 42.424 67.595 -36.067 1.00 0.00 H new ATOM 0 HA TYR A 53 40.039 69.431 -36.126 1.00 0.00 H new ATOM 0 HB2 TYR A 53 42.194 68.777 -38.116 1.00 0.00 H new ATOM 0 HB3 TYR A 53 40.565 68.913 -38.747 1.00 0.00 H new ATOM 0 HD1 TYR A 53 42.252 70.730 -35.917 1.00 0.00 H new ATOM 0 HD2 TYR A 53 40.393 71.014 -39.779 1.00 0.00 H new ATOM 0 HE1 TYR A 53 42.419 73.202 -35.816 1.00 0.00 H new ATOM 0 HE2 TYR A 53 40.557 73.486 -39.677 1.00 0.00 H new ATOM 0 HH TYR A 53 41.216 75.265 -38.503 1.00 0.00 H new ATOM 878 N VAL A 54 39.815 66.485 -35.974 1.00 0.00 N ATOM 879 CA VAL A 54 39.031 65.233 -36.181 1.00 0.00 C ATOM 880 C VAL A 54 38.677 64.628 -34.831 1.00 0.00 C ATOM 881 O VAL A 54 38.564 65.306 -33.829 1.00 0.00 O ATOM 882 CB VAL A 54 39.888 64.238 -36.976 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.714 65.000 -37.999 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.821 63.472 -36.027 1.00 0.00 C ATOM 0 H VAL A 54 40.328 66.532 -35.093 1.00 0.00 H new ATOM 0 HA VAL A 54 38.115 65.455 -36.728 1.00 0.00 H new ATOM 0 HB VAL A 54 39.238 63.525 -37.483 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.325 64.299 -38.568 1.00 0.00 H new ATOM 0 HG12 VAL A 54 40.050 65.535 -38.677 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.360 65.713 -37.487 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.425 62.768 -36.600 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.475 64.176 -35.512 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.227 62.927 -35.294 1.00 0.00 H new ATOM 894 N THR A 55 38.510 63.346 -34.816 1.00 0.00 N ATOM 895 CA THR A 55 38.170 62.647 -33.569 1.00 0.00 C ATOM 896 C THR A 55 38.598 61.180 -33.710 1.00 0.00 C ATOM 897 O THR A 55 39.621 60.894 -34.294 1.00 0.00 O ATOM 898 CB THR A 55 36.678 62.756 -33.377 1.00 0.00 C ATOM 899 OG1 THR A 55 36.252 64.062 -33.743 1.00 0.00 O ATOM 900 CG2 THR A 55 36.299 62.482 -31.920 1.00 0.00 C ATOM 0 H THR A 55 38.597 62.744 -35.635 1.00 0.00 H new ATOM 0 HA THR A 55 38.678 63.079 -32.707 1.00 0.00 H new ATOM 0 HB THR A 55 36.187 62.015 -34.007 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.282 64.136 -33.621 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.219 62.566 -31.803 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.617 61.477 -31.644 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.791 63.208 -31.273 1.00 0.00 H new ATOM 908 N GLU A 56 37.831 60.251 -33.197 1.00 0.00 N ATOM 909 CA GLU A 56 38.218 58.813 -33.306 1.00 0.00 C ATOM 910 C GLU A 56 39.732 58.678 -33.109 1.00 0.00 C ATOM 911 O GLU A 56 40.287 59.245 -32.189 1.00 0.00 O ATOM 912 CB GLU A 56 37.791 58.260 -34.665 1.00 0.00 C ATOM 913 CG GLU A 56 36.330 58.628 -34.930 1.00 0.00 C ATOM 914 CD GLU A 56 35.446 58.025 -33.838 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.940 57.192 -33.096 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.290 58.407 -33.760 1.00 0.00 O ATOM 0 H GLU A 56 36.954 60.427 -32.708 1.00 0.00 H new ATOM 0 HA GLU A 56 37.713 58.236 -32.532 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.428 58.666 -35.451 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.913 57.177 -34.683 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.215 59.712 -34.949 1.00 0.00 H new ATOM 0 HG3 GLU A 56 36.022 58.257 -35.908 1.00 0.00 H new ATOM 923 N ALA A 57 40.412 57.942 -33.947 1.00 0.00 N ATOM 924 CA ALA A 57 41.887 57.803 -33.769 1.00 0.00 C ATOM 925 C ALA A 57 42.492 59.180 -33.481 1.00 0.00 C ATOM 926 O ALA A 57 42.167 60.158 -34.125 1.00 0.00 O ATOM 927 CB ALA A 57 42.506 57.229 -35.043 1.00 0.00 C ATOM 0 H ALA A 57 40.016 57.436 -34.739 1.00 0.00 H new ATOM 0 HA ALA A 57 42.092 57.131 -32.936 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.583 57.128 -34.911 1.00 0.00 H new ATOM 0 HB2 ALA A 57 42.073 56.250 -35.249 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.304 57.898 -35.879 1.00 0.00 H new ATOM 933 N GLU A 58 43.366 59.270 -32.516 1.00 0.00 N ATOM 934 CA GLU A 58 43.982 60.588 -32.191 1.00 0.00 C ATOM 935 C GLU A 58 45.321 60.364 -31.487 1.00 0.00 C ATOM 936 O GLU A 58 45.959 59.363 -31.773 1.00 0.00 O ATOM 937 CB GLU A 58 43.045 61.374 -31.270 1.00 0.00 C ATOM 938 CG GLU A 58 41.884 61.946 -32.087 1.00 0.00 C ATOM 939 CD GLU A 58 41.532 63.342 -31.569 1.00 0.00 C ATOM 940 OE1 GLU A 58 42.071 63.725 -30.544 1.00 0.00 O ATOM 941 OE2 GLU A 58 40.731 64.005 -32.208 1.00 0.00 O ATOM 942 OXT GLU A 58 45.686 61.196 -30.673 1.00 0.00 O ATOM 0 H GLU A 58 43.680 58.489 -31.939 1.00 0.00 H new ATOM 0 HA GLU A 58 44.145 61.151 -33.110 1.00 0.00 H new ATOM 0 HB2 GLU A 58 42.663 60.724 -30.482 1.00 0.00 H new ATOM 0 HB3 GLU A 58 43.591 62.181 -30.781 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.158 61.996 -33.141 1.00 0.00 H new ATOM 0 HG3 GLU A 58 41.016 61.290 -32.014 1.00 0.00 H new TER 949 GLU A 58