USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 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 PHE N :NH3+ 155:sc= 0.118 (180deg=-0.0712) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.076 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0498) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 73:sc= 0.608 USER MOD Single : A 38 SER OG : rot 180:sc= -0.24 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= 1.2 (180deg=-0.382) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.017) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -3.923 -35.303 6.634 1.00 61.24 N ATOM 2 CA PHE A 1 -2.671 -36.080 6.401 1.00 22.31 C ATOM 3 C PHE A 1 -2.512 -36.479 4.914 1.00 71.45 C ATOM 4 O PHE A 1 -1.789 -37.430 4.596 1.00 63.32 O ATOM 5 CB PHE A 1 -2.652 -37.328 7.330 1.00 23.25 C ATOM 6 CG PHE A 1 -2.587 -36.980 8.823 1.00 11.21 C ATOM 7 CD1 PHE A 1 -1.374 -36.617 9.414 1.00 44.10 C ATOM 8 CD2 PHE A 1 -3.729 -37.000 9.626 1.00 44.43 C ATOM 9 CE1 PHE A 1 -1.307 -36.283 10.754 1.00 73.14 C ATOM 10 CE2 PHE A 1 -3.660 -36.664 10.968 1.00 44.41 C ATOM 11 CZ PHE A 1 -2.449 -36.307 11.532 1.00 51.13 C ATOM 0 H1 PHE A 1 -4.220 -35.413 7.625 1.00 61.24 H new ATOM 0 H2 PHE A 1 -3.750 -34.297 6.434 1.00 61.24 H new ATOM 0 H3 PHE A 1 -4.673 -35.657 6.006 1.00 61.24 H new ATOM 0 HA PHE A 1 -1.819 -35.446 6.645 1.00 22.31 H new ATOM 0 HB2 PHE A 1 -3.545 -37.924 7.143 1.00 23.25 H new ATOM 0 HB3 PHE A 1 -1.794 -37.950 7.072 1.00 23.25 H new ATOM 0 HD1 PHE A 1 -0.475 -36.597 8.815 1.00 44.10 H new ATOM 0 HD2 PHE A 1 -4.679 -37.281 9.195 1.00 44.43 H new ATOM 0 HE1 PHE A 1 -0.361 -36.003 11.193 1.00 73.14 H new ATOM 0 HE2 PHE A 1 -4.553 -36.681 11.575 1.00 44.41 H new ATOM 0 HZ PHE A 1 -2.396 -36.047 12.579 1.00 51.13 H new ATOM 23 N THR A 2 -3.150 -35.717 3.998 1.00 71.20 N ATOM 24 CA THR A 2 -3.116 -35.997 2.537 1.00 54.43 C ATOM 25 C THR A 2 -2.416 -34.857 1.773 1.00 73.14 C ATOM 26 O THR A 2 -2.590 -33.674 2.103 1.00 5.15 O ATOM 27 CB THR A 2 -4.554 -36.239 1.949 1.00 54.24 C ATOM 28 OG1 THR A 2 -4.495 -36.374 0.518 1.00 65.40 O ATOM 29 CG2 THR A 2 -5.534 -35.115 2.311 1.00 13.12 C ATOM 0 H THR A 2 -3.701 -34.895 4.244 1.00 71.20 H new ATOM 0 HA THR A 2 -2.543 -36.915 2.404 1.00 54.43 H new ATOM 0 HB THR A 2 -4.923 -37.162 2.397 1.00 54.24 H new ATOM 0 HG1 THR A 2 -5.397 -36.526 0.166 1.00 65.40 H new ATOM 0 HG21 THR A 2 -6.512 -35.332 1.880 1.00 13.12 H new ATOM 0 HG22 THR A 2 -5.623 -35.045 3.395 1.00 13.12 H new ATOM 0 HG23 THR A 2 -5.165 -34.169 1.915 1.00 13.12 H new ATOM 37 N LEU A 3 -1.647 -35.235 0.724 1.00 52.31 N ATOM 38 CA LEU A 3 -0.939 -34.287 -0.166 1.00 54.14 C ATOM 39 C LEU A 3 -1.931 -33.387 -0.933 1.00 74.13 C ATOM 40 O LEU A 3 -1.541 -32.354 -1.468 1.00 65.11 O ATOM 41 CB LEU A 3 0.019 -35.059 -1.133 1.00 52.44 C ATOM 42 CG LEU A 3 -0.627 -36.076 -2.160 1.00 55.35 C ATOM 43 CD1 LEU A 3 -1.094 -35.393 -3.475 1.00 14.40 C ATOM 44 CD2 LEU A 3 0.328 -37.255 -2.463 1.00 34.01 C ATOM 0 H LEU A 3 -1.500 -36.212 0.471 1.00 52.31 H new ATOM 0 HA LEU A 3 -0.329 -33.627 0.450 1.00 54.14 H new ATOM 0 HB2 LEU A 3 0.584 -34.322 -1.703 1.00 52.44 H new ATOM 0 HB3 LEU A 3 0.737 -35.609 -0.524 1.00 52.44 H new ATOM 0 HG LEU A 3 -1.520 -36.470 -1.675 1.00 55.35 H new ATOM 0 HD11 LEU A 3 -1.528 -36.141 -4.139 1.00 14.40 H new ATOM 0 HD12 LEU A 3 -1.842 -34.634 -3.245 1.00 14.40 H new ATOM 0 HD13 LEU A 3 -0.240 -34.925 -3.965 1.00 14.40 H new ATOM 0 HD21 LEU A 3 -0.146 -37.934 -3.171 1.00 34.01 H new ATOM 0 HD22 LEU A 3 1.254 -36.872 -2.892 1.00 34.01 H new ATOM 0 HD23 LEU A 3 0.550 -37.790 -1.540 1.00 34.01 H new ATOM 56 N ILE A 4 -3.210 -33.821 -0.991 1.00 52.21 N ATOM 57 CA ILE A 4 -4.309 -33.035 -1.583 1.00 75.12 C ATOM 58 C ILE A 4 -4.539 -31.739 -0.773 1.00 71.53 C ATOM 59 O ILE A 4 -4.477 -30.641 -1.320 1.00 10.22 O ATOM 60 CB ILE A 4 -5.653 -33.866 -1.658 1.00 21.32 C ATOM 61 CG1 ILE A 4 -5.445 -35.191 -2.468 1.00 34.12 C ATOM 62 CG2 ILE A 4 -6.818 -33.024 -2.247 1.00 13.43 C ATOM 63 CD1 ILE A 4 -4.983 -35.004 -3.905 1.00 2.23 C ATOM 0 H ILE A 4 -3.507 -34.727 -0.628 1.00 52.21 H new ATOM 0 HA ILE A 4 -4.015 -32.780 -2.601 1.00 75.12 H new ATOM 0 HB ILE A 4 -5.932 -34.132 -0.639 1.00 21.32 H new ATOM 0 HG12 ILE A 4 -4.714 -35.807 -1.945 1.00 34.12 H new ATOM 0 HG13 ILE A 4 -6.383 -35.746 -2.474 1.00 34.12 H new ATOM 0 HG21 ILE A 4 -7.723 -33.630 -2.282 1.00 13.43 H new ATOM 0 HG22 ILE A 4 -6.990 -32.151 -1.618 1.00 13.43 H new ATOM 0 HG23 ILE A 4 -6.559 -32.700 -3.255 1.00 13.43 H new ATOM 0 HD11 ILE A 4 -4.868 -35.978 -4.380 1.00 2.23 H new ATOM 0 HD12 ILE A 4 -5.722 -34.419 -4.452 1.00 2.23 H new ATOM 0 HD13 ILE A 4 -4.027 -34.481 -3.915 1.00 2.23 H new ATOM 75 N GLU A 5 -4.759 -31.892 0.549 1.00 44.11 N ATOM 76 CA GLU A 5 -4.964 -30.750 1.469 1.00 63.13 C ATOM 77 C GLU A 5 -3.694 -29.893 1.621 1.00 3.33 C ATOM 78 O GLU A 5 -3.792 -28.693 1.859 1.00 61.41 O ATOM 79 CB GLU A 5 -5.471 -31.225 2.857 1.00 52.30 C ATOM 80 CG GLU A 5 -6.892 -31.822 2.853 1.00 3.33 C ATOM 81 CD GLU A 5 -7.955 -30.864 2.283 1.00 3.21 C ATOM 82 OE1 GLU A 5 -8.320 -29.891 2.972 1.00 24.51 O ATOM 83 OE2 GLU A 5 -8.428 -31.079 1.146 1.00 24.13 O ATOM 0 H GLU A 5 -4.800 -32.802 1.008 1.00 44.11 H new ATOM 0 HA GLU A 5 -5.733 -30.121 1.020 1.00 63.13 H new ATOM 0 HB2 GLU A 5 -4.779 -31.972 3.246 1.00 52.30 H new ATOM 0 HB3 GLU A 5 -5.448 -30.380 3.546 1.00 52.30 H new ATOM 0 HG2 GLU A 5 -6.890 -32.741 2.267 1.00 3.33 H new ATOM 0 HG3 GLU A 5 -7.167 -32.094 3.872 1.00 3.33 H new ATOM 90 N LEU A 6 -2.514 -30.522 1.485 1.00 62.21 N ATOM 91 CA LEU A 6 -1.216 -29.808 1.478 1.00 64.24 C ATOM 92 C LEU A 6 -1.065 -28.927 0.221 1.00 25.42 C ATOM 93 O LEU A 6 -0.585 -27.797 0.307 1.00 2.10 O ATOM 94 CB LEU A 6 -0.048 -30.813 1.569 1.00 20.30 C ATOM 95 CG LEU A 6 -0.012 -31.676 2.861 1.00 14.04 C ATOM 96 CD1 LEU A 6 1.126 -32.717 2.807 1.00 11.11 C ATOM 97 CD2 LEU A 6 0.088 -30.794 4.133 1.00 20.32 C ATOM 0 H LEU A 6 -2.428 -31.533 1.377 1.00 62.21 H new ATOM 0 HA LEU A 6 -1.191 -29.155 2.351 1.00 64.24 H new ATOM 0 HB2 LEU A 6 -0.096 -31.480 0.708 1.00 20.30 H new ATOM 0 HB3 LEU A 6 0.890 -30.262 1.494 1.00 20.30 H new ATOM 0 HG LEU A 6 -0.955 -32.220 2.917 1.00 14.04 H new ATOM 0 HD11 LEU A 6 1.125 -33.305 3.725 1.00 11.11 H new ATOM 0 HD12 LEU A 6 0.975 -33.377 1.953 1.00 11.11 H new ATOM 0 HD13 LEU A 6 2.083 -32.205 2.705 1.00 11.11 H new ATOM 0 HD21 LEU A 6 0.111 -31.431 5.017 1.00 20.32 H new ATOM 0 HD22 LEU A 6 1.000 -30.198 4.092 1.00 20.32 H new ATOM 0 HD23 LEU A 6 -0.776 -30.132 4.185 1.00 20.32 H new ATOM 109 N LEU A 7 -1.475 -29.470 -0.933 1.00 60.21 N ATOM 110 CA LEU A 7 -1.482 -28.751 -2.223 1.00 24.03 C ATOM 111 C LEU A 7 -2.410 -27.506 -2.132 1.00 44.22 C ATOM 112 O LEU A 7 -2.003 -26.395 -2.473 1.00 42.01 O ATOM 113 CB LEU A 7 -1.945 -29.722 -3.363 1.00 65.35 C ATOM 114 CG LEU A 7 -1.443 -29.436 -4.825 1.00 5.11 C ATOM 115 CD1 LEU A 7 -1.973 -28.103 -5.405 1.00 13.24 C ATOM 116 CD2 LEU A 7 0.097 -29.515 -4.890 1.00 60.42 C ATOM 0 H LEU A 7 -1.815 -30.429 -1.003 1.00 60.21 H new ATOM 0 HA LEU A 7 -0.475 -28.404 -2.455 1.00 24.03 H new ATOM 0 HB2 LEU A 7 -1.629 -30.729 -3.092 1.00 65.35 H new ATOM 0 HB3 LEU A 7 -3.035 -29.723 -3.378 1.00 65.35 H new ATOM 0 HG LEU A 7 -1.860 -30.216 -5.462 1.00 5.11 H new ATOM 0 HD11 LEU A 7 -1.589 -27.968 -6.416 1.00 13.24 H new ATOM 0 HD12 LEU A 7 -3.062 -28.125 -5.431 1.00 13.24 H new ATOM 0 HD13 LEU A 7 -1.642 -27.276 -4.777 1.00 13.24 H new ATOM 0 HD21 LEU A 7 0.429 -29.315 -5.909 1.00 60.42 H new ATOM 0 HD22 LEU A 7 0.528 -28.775 -4.216 1.00 60.42 H new ATOM 0 HD23 LEU A 7 0.423 -30.511 -4.591 1.00 60.42 H new ATOM 128 N ILE A 8 -3.651 -27.729 -1.646 1.00 22.24 N ATOM 129 CA ILE A 8 -4.680 -26.694 -1.507 1.00 1.54 C ATOM 130 C ILE A 8 -4.280 -25.589 -0.500 1.00 53.41 C ATOM 131 O ILE A 8 -4.435 -24.409 -0.805 1.00 14.31 O ATOM 132 CB ILE A 8 -6.034 -27.367 -1.078 1.00 33.02 C ATOM 133 CG1 ILE A 8 -6.526 -28.361 -2.180 1.00 31.01 C ATOM 134 CG2 ILE A 8 -7.116 -26.318 -0.758 1.00 55.02 C ATOM 135 CD1 ILE A 8 -7.693 -29.233 -1.758 1.00 31.01 C ATOM 0 H ILE A 8 -3.963 -28.650 -1.337 1.00 22.24 H new ATOM 0 HA ILE A 8 -4.795 -26.204 -2.474 1.00 1.54 H new ATOM 0 HB ILE A 8 -5.849 -27.930 -0.163 1.00 33.02 H new ATOM 0 HG12 ILE A 8 -6.814 -27.792 -3.064 1.00 31.01 H new ATOM 0 HG13 ILE A 8 -5.695 -29.003 -2.471 1.00 31.01 H new ATOM 0 HG21 ILE A 8 -8.037 -26.823 -0.466 1.00 55.02 H new ATOM 0 HG22 ILE A 8 -6.776 -25.682 0.059 1.00 55.02 H new ATOM 0 HG23 ILE A 8 -7.302 -25.706 -1.641 1.00 55.02 H new ATOM 0 HD11 ILE A 8 -7.971 -29.892 -2.580 1.00 31.01 H new ATOM 0 HD12 ILE A 8 -7.406 -29.832 -0.894 1.00 31.01 H new ATOM 0 HD13 ILE A 8 -8.542 -28.602 -1.496 1.00 31.01 H new ATOM 147 N VAL A 9 -3.767 -25.974 0.693 1.00 11.44 N ATOM 148 CA VAL A 9 -3.382 -25.013 1.741 1.00 20.52 C ATOM 149 C VAL A 9 -2.192 -24.130 1.282 1.00 72.15 C ATOM 150 O VAL A 9 -2.180 -22.930 1.528 1.00 31.51 O ATOM 151 CB VAL A 9 -3.077 -25.739 3.113 1.00 21.01 C ATOM 152 CG1 VAL A 9 -1.724 -26.488 3.130 1.00 43.15 C ATOM 153 CG2 VAL A 9 -3.205 -24.762 4.295 1.00 52.21 C ATOM 0 H VAL A 9 -3.612 -26.949 0.949 1.00 11.44 H new ATOM 0 HA VAL A 9 -4.233 -24.353 1.911 1.00 20.52 H new ATOM 0 HB VAL A 9 -3.837 -26.512 3.225 1.00 21.01 H new ATOM 0 HG11 VAL A 9 -1.582 -26.961 4.102 1.00 43.15 H new ATOM 0 HG12 VAL A 9 -1.720 -27.250 2.351 1.00 43.15 H new ATOM 0 HG13 VAL A 9 -0.914 -25.781 2.949 1.00 43.15 H new ATOM 0 HG21 VAL A 9 -2.990 -25.287 5.226 1.00 52.21 H new ATOM 0 HG22 VAL A 9 -2.497 -23.943 4.168 1.00 52.21 H new ATOM 0 HG23 VAL A 9 -4.219 -24.363 4.329 1.00 52.21 H new ATOM 163 N VAL A 10 -1.228 -24.738 0.565 1.00 30.13 N ATOM 164 CA VAL A 10 -0.116 -24.013 -0.081 1.00 12.13 C ATOM 165 C VAL A 10 -0.623 -23.088 -1.221 1.00 14.35 C ATOM 166 O VAL A 10 -0.112 -21.974 -1.391 1.00 30.20 O ATOM 167 CB VAL A 10 0.964 -25.045 -0.612 1.00 34.43 C ATOM 168 CG1 VAL A 10 1.882 -24.455 -1.698 1.00 23.41 C ATOM 169 CG2 VAL A 10 1.800 -25.609 0.562 1.00 41.43 C ATOM 0 H VAL A 10 -1.198 -25.747 0.417 1.00 30.13 H new ATOM 0 HA VAL A 10 0.353 -23.369 0.663 1.00 12.13 H new ATOM 0 HB VAL A 10 0.411 -25.858 -1.083 1.00 34.43 H new ATOM 0 HG11 VAL A 10 2.598 -25.211 -2.019 1.00 23.41 H new ATOM 0 HG12 VAL A 10 1.281 -24.139 -2.551 1.00 23.41 H new ATOM 0 HG13 VAL A 10 2.418 -23.596 -1.294 1.00 23.41 H new ATOM 0 HG21 VAL A 10 2.536 -26.316 0.178 1.00 41.43 H new ATOM 0 HG22 VAL A 10 2.312 -24.792 1.070 1.00 41.43 H new ATOM 0 HG23 VAL A 10 1.142 -26.118 1.266 1.00 41.43 H new ATOM 179 N ALA A 11 -1.641 -23.548 -1.977 1.00 40.44 N ATOM 180 CA ALA A 11 -2.213 -22.786 -3.109 1.00 51.43 C ATOM 181 C ALA A 11 -2.920 -21.498 -2.627 1.00 32.22 C ATOM 182 O ALA A 11 -2.614 -20.401 -3.112 1.00 34.45 O ATOM 183 CB ALA A 11 -3.186 -23.672 -3.913 1.00 33.32 C ATOM 0 H ALA A 11 -2.088 -24.452 -1.823 1.00 40.44 H new ATOM 0 HA ALA A 11 -1.391 -22.486 -3.759 1.00 51.43 H new ATOM 0 HB1 ALA A 11 -3.599 -23.098 -4.743 1.00 33.32 H new ATOM 0 HB2 ALA A 11 -2.652 -24.539 -4.302 1.00 33.32 H new ATOM 0 HB3 ALA A 11 -3.995 -24.006 -3.264 1.00 33.32 H new ATOM 189 N ILE A 12 -3.835 -21.648 -1.639 1.00 1.41 N ATOM 190 CA ILE A 12 -4.647 -20.532 -1.111 1.00 53.25 C ATOM 191 C ILE A 12 -3.780 -19.499 -0.350 1.00 73.23 C ATOM 192 O ILE A 12 -3.912 -18.304 -0.589 1.00 31.41 O ATOM 193 CB ILE A 12 -5.845 -21.054 -0.218 1.00 73.11 C ATOM 194 CG1 ILE A 12 -5.339 -21.840 1.038 1.00 72.32 C ATOM 195 CG2 ILE A 12 -6.813 -21.920 -1.067 1.00 41.11 C ATOM 196 CD1 ILE A 12 -6.429 -22.447 1.911 1.00 31.24 C ATOM 0 H ILE A 12 -4.028 -22.543 -1.189 1.00 1.41 H new ATOM 0 HA ILE A 12 -5.080 -20.018 -1.969 1.00 53.25 H new ATOM 0 HB ILE A 12 -6.389 -20.184 0.150 1.00 73.11 H new ATOM 0 HG12 ILE A 12 -4.678 -22.639 0.703 1.00 72.32 H new ATOM 0 HG13 ILE A 12 -4.740 -21.166 1.650 1.00 72.32 H new ATOM 0 HG21 ILE A 12 -7.632 -22.272 -0.439 1.00 41.11 H new ATOM 0 HG22 ILE A 12 -7.214 -21.322 -1.885 1.00 41.11 H new ATOM 0 HG23 ILE A 12 -6.274 -22.776 -1.474 1.00 41.11 H new ATOM 0 HD11 ILE A 12 -5.973 -22.969 2.752 1.00 31.24 H new ATOM 0 HD12 ILE A 12 -7.079 -21.656 2.284 1.00 31.24 H new ATOM 0 HD13 ILE A 12 -7.016 -23.152 1.322 1.00 31.24 H new ATOM 208 N ILE A 13 -2.849 -19.978 0.520 1.00 12.13 N ATOM 209 CA ILE A 13 -1.870 -19.122 1.225 1.00 12.35 C ATOM 210 C ILE A 13 -0.907 -18.455 0.212 1.00 43.20 C ATOM 211 O ILE A 13 -0.465 -17.313 0.407 1.00 70.04 O ATOM 212 CB ILE A 13 -1.070 -19.974 2.289 1.00 1.12 C ATOM 213 CG1 ILE A 13 -2.013 -20.445 3.448 1.00 2.31 C ATOM 214 CG2 ILE A 13 0.153 -19.217 2.850 1.00 73.15 C ATOM 215 CD1 ILE A 13 -1.362 -21.371 4.470 1.00 43.11 C ATOM 0 H ILE A 13 -2.761 -20.968 0.748 1.00 12.13 H new ATOM 0 HA ILE A 13 -2.406 -18.332 1.751 1.00 12.35 H new ATOM 0 HB ILE A 13 -0.689 -20.853 1.770 1.00 1.12 H new ATOM 0 HG12 ILE A 13 -2.394 -19.565 3.967 1.00 2.31 H new ATOM 0 HG13 ILE A 13 -2.872 -20.955 3.013 1.00 2.31 H new ATOM 0 HG21 ILE A 13 0.668 -19.846 3.576 1.00 73.15 H new ATOM 0 HG22 ILE A 13 0.834 -18.971 2.035 1.00 73.15 H new ATOM 0 HG23 ILE A 13 -0.178 -18.299 3.335 1.00 73.15 H new ATOM 0 HD11 ILE A 13 -2.092 -21.643 5.232 1.00 43.11 H new ATOM 0 HD12 ILE A 13 -1.007 -22.272 3.970 1.00 43.11 H new ATOM 0 HD13 ILE A 13 -0.521 -20.861 4.939 1.00 43.11 H new ATOM 227 N GLY A 14 -0.622 -19.184 -0.887 1.00 50.31 N ATOM 228 CA GLY A 14 0.184 -18.672 -1.993 1.00 14.34 C ATOM 229 C GLY A 14 -0.444 -17.455 -2.674 1.00 63.14 C ATOM 230 O GLY A 14 0.267 -16.534 -3.069 1.00 4.24 O ATOM 0 H GLY A 14 -0.948 -20.141 -1.024 1.00 50.31 H new ATOM 0 HA2 GLY A 14 1.173 -18.404 -1.621 1.00 14.34 H new ATOM 0 HA3 GLY A 14 0.324 -19.463 -2.730 1.00 14.34 H new ATOM 234 N ILE A 15 -1.794 -17.454 -2.792 1.00 2.33 N ATOM 235 CA ILE A 15 -2.572 -16.320 -3.331 1.00 15.20 C ATOM 236 C ILE A 15 -2.566 -15.135 -2.342 1.00 74.52 C ATOM 237 O ILE A 15 -2.370 -13.990 -2.747 1.00 31.42 O ATOM 238 CB ILE A 15 -4.047 -16.793 -3.625 1.00 4.23 C ATOM 239 CG1 ILE A 15 -4.042 -17.934 -4.705 1.00 51.43 C ATOM 240 CG2 ILE A 15 -4.977 -15.623 -4.047 1.00 55.12 C ATOM 241 CD1 ILE A 15 -5.200 -18.905 -4.591 1.00 61.21 C ATOM 0 H ILE A 15 -2.374 -18.246 -2.513 1.00 2.33 H new ATOM 0 HA ILE A 15 -2.113 -15.980 -4.259 1.00 15.20 H new ATOM 0 HB ILE A 15 -4.456 -17.187 -2.695 1.00 4.23 H new ATOM 0 HG12 ILE A 15 -4.060 -17.480 -5.696 1.00 51.43 H new ATOM 0 HG13 ILE A 15 -3.108 -18.490 -4.625 1.00 51.43 H new ATOM 0 HG21 ILE A 15 -5.980 -16.006 -4.237 1.00 55.12 H new ATOM 0 HG22 ILE A 15 -5.016 -14.883 -3.248 1.00 55.12 H new ATOM 0 HG23 ILE A 15 -4.588 -15.158 -4.953 1.00 55.12 H new ATOM 0 HD11 ILE A 15 -5.120 -19.660 -5.373 1.00 61.21 H new ATOM 0 HD12 ILE A 15 -5.174 -19.390 -3.615 1.00 61.21 H new ATOM 0 HD13 ILE A 15 -6.140 -18.365 -4.702 1.00 61.21 H new ATOM 253 N LEU A 16 -2.744 -15.446 -1.038 1.00 33.23 N ATOM 254 CA LEU A 16 -2.767 -14.435 0.045 1.00 2.02 C ATOM 255 C LEU A 16 -1.427 -13.669 0.125 1.00 55.22 C ATOM 256 O LEU A 16 -1.415 -12.465 0.362 1.00 52.44 O ATOM 257 CB LEU A 16 -3.079 -15.097 1.420 1.00 53.12 C ATOM 258 CG LEU A 16 -4.334 -16.025 1.490 1.00 63.23 C ATOM 259 CD1 LEU A 16 -4.635 -16.485 2.935 1.00 13.45 C ATOM 260 CD2 LEU A 16 -5.570 -15.383 0.815 1.00 45.13 C ATOM 0 H LEU A 16 -2.875 -16.402 -0.707 1.00 33.23 H new ATOM 0 HA LEU A 16 -3.559 -13.725 -0.191 1.00 2.02 H new ATOM 0 HB2 LEU A 16 -2.209 -15.680 1.721 1.00 53.12 H new ATOM 0 HB3 LEU A 16 -3.202 -14.304 2.158 1.00 53.12 H new ATOM 0 HG LEU A 16 -4.094 -16.921 0.918 1.00 63.23 H new ATOM 0 HD11 LEU A 16 -5.515 -17.128 2.936 1.00 13.45 H new ATOM 0 HD12 LEU A 16 -3.781 -17.038 3.326 1.00 13.45 H new ATOM 0 HD13 LEU A 16 -4.821 -15.614 3.563 1.00 13.45 H new ATOM 0 HD21 LEU A 16 -6.419 -16.063 0.888 1.00 45.13 H new ATOM 0 HD22 LEU A 16 -5.812 -14.446 1.316 1.00 45.13 H new ATOM 0 HD23 LEU A 16 -5.351 -15.187 -0.235 1.00 45.13 H new ATOM 272 N ALA A 17 -0.315 -14.386 -0.084 1.00 43.22 N ATOM 273 CA ALA A 17 1.036 -13.791 -0.122 1.00 25.32 C ATOM 274 C ALA A 17 1.257 -13.014 -1.445 1.00 72.41 C ATOM 275 O ALA A 17 1.675 -11.858 -1.437 1.00 60.31 O ATOM 276 CB ALA A 17 2.098 -14.884 0.061 1.00 12.35 C ATOM 0 H ALA A 17 -0.322 -15.395 -0.232 1.00 43.22 H new ATOM 0 HA ALA A 17 1.129 -13.080 0.699 1.00 25.32 H new ATOM 0 HB1 ALA A 17 3.091 -14.435 0.031 1.00 12.35 H new ATOM 0 HB2 ALA A 17 1.951 -15.377 1.022 1.00 12.35 H new ATOM 0 HB3 ALA A 17 2.007 -15.617 -0.740 1.00 12.35 H new ATOM 282 N ALA A 18 0.918 -13.662 -2.569 1.00 23.23 N ATOM 283 CA ALA A 18 1.068 -13.095 -3.935 1.00 61.14 C ATOM 284 C ALA A 18 0.307 -11.762 -4.140 1.00 44.12 C ATOM 285 O ALA A 18 0.644 -10.997 -5.050 1.00 23.44 O ATOM 286 CB ALA A 18 0.631 -14.122 -4.994 1.00 3.44 C ATOM 0 H ALA A 18 0.527 -14.604 -2.565 1.00 23.23 H new ATOM 0 HA ALA A 18 2.127 -12.868 -4.054 1.00 61.14 H new ATOM 0 HB1 ALA A 18 0.747 -13.691 -5.988 1.00 3.44 H new ATOM 0 HB2 ALA A 18 1.250 -15.016 -4.911 1.00 3.44 H new ATOM 0 HB3 ALA A 18 -0.414 -14.388 -4.834 1.00 3.44 H new ATOM 292 N ILE A 19 -0.732 -11.504 -3.321 1.00 33.44 N ATOM 293 CA ILE A 19 -1.420 -10.190 -3.301 1.00 1.22 C ATOM 294 C ILE A 19 -0.860 -9.260 -2.208 1.00 23.55 C ATOM 295 O ILE A 19 -0.739 -8.066 -2.431 1.00 3.31 O ATOM 296 CB ILE A 19 -2.990 -10.325 -3.208 1.00 3.02 C ATOM 297 CG1 ILE A 19 -3.479 -11.107 -1.937 1.00 73.20 C ATOM 298 CG2 ILE A 19 -3.547 -10.957 -4.506 1.00 23.43 C ATOM 299 CD1 ILE A 19 -3.685 -10.243 -0.704 1.00 33.11 C ATOM 0 H ILE A 19 -1.115 -12.184 -2.665 1.00 33.44 H new ATOM 0 HA ILE A 19 -1.207 -9.722 -4.262 1.00 1.22 H new ATOM 0 HB ILE A 19 -3.387 -9.316 -3.099 1.00 3.02 H new ATOM 0 HG12 ILE A 19 -4.417 -11.609 -2.174 1.00 73.20 H new ATOM 0 HG13 ILE A 19 -2.752 -11.884 -1.703 1.00 73.20 H new ATOM 0 HG21 ILE A 19 -4.631 -11.046 -4.431 1.00 23.43 H new ATOM 0 HG22 ILE A 19 -3.292 -10.325 -5.357 1.00 23.43 H new ATOM 0 HG23 ILE A 19 -3.111 -11.946 -4.645 1.00 23.43 H new ATOM 0 HD11 ILE A 19 -4.022 -10.866 0.124 1.00 33.11 H new ATOM 0 HD12 ILE A 19 -2.745 -9.761 -0.436 1.00 33.11 H new ATOM 0 HD13 ILE A 19 -4.436 -9.481 -0.915 1.00 33.11 H new ATOM 311 N ALA A 20 -0.471 -9.827 -1.054 1.00 24.52 N ATOM 312 CA ALA A 20 -0.063 -9.048 0.142 1.00 53.23 C ATOM 313 C ALA A 20 1.241 -8.266 -0.083 1.00 2.20 C ATOM 314 O ALA A 20 1.315 -7.087 0.256 1.00 74.25 O ATOM 315 CB ALA A 20 0.074 -9.968 1.367 1.00 12.13 C ATOM 0 H ALA A 20 -0.428 -10.837 -0.917 1.00 24.52 H new ATOM 0 HA ALA A 20 -0.851 -8.318 0.327 1.00 53.23 H new ATOM 0 HB1 ALA A 20 0.374 -9.378 2.233 1.00 12.13 H new ATOM 0 HB2 ALA A 20 -0.883 -10.449 1.569 1.00 12.13 H new ATOM 0 HB3 ALA A 20 0.828 -10.729 1.168 1.00 12.13 H new ATOM 321 N ILE A 21 2.257 -8.937 -0.651 1.00 75.14 N ATOM 322 CA ILE A 21 3.597 -8.343 -0.876 1.00 15.11 C ATOM 323 C ILE A 21 3.552 -7.102 -1.843 1.00 14.20 C ATOM 324 O ILE A 21 4.037 -6.033 -1.460 1.00 3.41 O ATOM 325 CB ILE A 21 4.667 -9.435 -1.331 1.00 52.32 C ATOM 326 CG1 ILE A 21 5.118 -10.340 -0.127 1.00 34.41 C ATOM 327 CG2 ILE A 21 5.893 -8.791 -2.023 1.00 35.41 C ATOM 328 CD1 ILE A 21 4.083 -11.329 0.393 1.00 65.23 C ATOM 0 H ILE A 21 2.179 -9.903 -0.968 1.00 75.14 H new ATOM 0 HA ILE A 21 3.934 -7.961 0.088 1.00 15.11 H new ATOM 0 HB ILE A 21 4.172 -10.072 -2.064 1.00 52.32 H new ATOM 0 HG12 ILE A 21 6.004 -10.898 -0.430 1.00 34.41 H new ATOM 0 HG13 ILE A 21 5.417 -9.691 0.697 1.00 34.41 H new ATOM 0 HG21 ILE A 21 6.596 -9.570 -2.316 1.00 35.41 H new ATOM 0 HG22 ILE A 21 5.566 -8.245 -2.908 1.00 35.41 H new ATOM 0 HG23 ILE A 21 6.381 -8.103 -1.332 1.00 35.41 H new ATOM 0 HD11 ILE A 21 4.506 -11.897 1.222 1.00 65.23 H new ATOM 0 HD12 ILE A 21 3.202 -10.787 0.737 1.00 65.23 H new ATOM 0 HD13 ILE A 21 3.798 -12.012 -0.407 1.00 65.23 H new ATOM 340 N PRO A 22 2.966 -7.197 -3.093 1.00 73.43 N ATOM 341 CA PRO A 22 2.808 -6.011 -3.994 1.00 74.21 C ATOM 342 C PRO A 22 1.861 -4.925 -3.426 1.00 13.35 C ATOM 343 O PRO A 22 2.090 -3.728 -3.619 1.00 31.03 O ATOM 344 CB PRO A 22 2.200 -6.606 -5.282 1.00 63.41 C ATOM 345 CG PRO A 22 1.566 -7.888 -4.842 1.00 53.43 C ATOM 346 CD PRO A 22 2.459 -8.430 -3.756 1.00 0.50 C ATOM 0 HA PRO A 22 3.763 -5.506 -4.136 1.00 74.21 H new ATOM 0 HB2 PRO A 22 1.466 -5.931 -5.722 1.00 63.41 H new ATOM 0 HB3 PRO A 22 2.966 -6.781 -6.038 1.00 63.41 H new ATOM 0 HG2 PRO A 22 0.556 -7.718 -4.470 1.00 53.43 H new ATOM 0 HG3 PRO A 22 1.487 -8.591 -5.671 1.00 53.43 H new ATOM 0 HD2 PRO A 22 1.910 -9.065 -3.061 1.00 0.50 H new ATOM 0 HD3 PRO A 22 3.271 -9.032 -4.164 1.00 0.50 H new ATOM 354 N GLN A 23 0.780 -5.368 -2.755 1.00 43.40 N ATOM 355 CA GLN A 23 -0.250 -4.462 -2.182 1.00 30.51 C ATOM 356 C GLN A 23 0.355 -3.597 -1.067 1.00 20.14 C ATOM 357 O GLN A 23 0.058 -2.401 -0.951 1.00 41.41 O ATOM 358 CB GLN A 23 -1.444 -5.283 -1.618 1.00 11.41 C ATOM 359 CG GLN A 23 -2.572 -4.456 -0.962 1.00 31.15 C ATOM 360 CD GLN A 23 -3.655 -5.331 -0.320 1.00 13.44 C ATOM 361 OE1 GLN A 23 -4.645 -5.684 -0.949 1.00 50.23 O ATOM 362 NE2 GLN A 23 -3.465 -5.696 0.933 1.00 21.02 N ATOM 0 H GLN A 23 0.591 -6.357 -2.592 1.00 43.40 H new ATOM 0 HA GLN A 23 -0.611 -3.812 -2.979 1.00 30.51 H new ATOM 0 HB2 GLN A 23 -1.873 -5.870 -2.430 1.00 11.41 H new ATOM 0 HB3 GLN A 23 -1.060 -5.989 -0.882 1.00 11.41 H new ATOM 0 HG2 GLN A 23 -2.142 -3.802 -0.203 1.00 31.15 H new ATOM 0 HG3 GLN A 23 -3.029 -3.813 -1.714 1.00 31.15 H new ATOM 0 HE21 GLN A 23 -2.631 -5.388 1.433 1.00 21.02 H new ATOM 0 HE22 GLN A 23 -4.152 -6.287 1.402 1.00 21.02 H new ATOM 371 N PHE A 24 1.233 -4.227 -0.275 1.00 50.32 N ATOM 372 CA PHE A 24 1.861 -3.585 0.910 1.00 21.31 C ATOM 373 C PHE A 24 3.055 -2.723 0.478 1.00 0.04 C ATOM 374 O PHE A 24 3.328 -1.687 1.088 1.00 1.52 O ATOM 375 CB PHE A 24 2.294 -4.634 1.957 1.00 4.12 C ATOM 376 CG PHE A 24 2.856 -4.040 3.259 1.00 70.21 C ATOM 377 CD1 PHE A 24 2.017 -3.384 4.163 1.00 72.05 C ATOM 378 CD2 PHE A 24 4.217 -4.123 3.568 1.00 61.41 C ATOM 379 CE1 PHE A 24 2.519 -2.835 5.333 1.00 72.00 C ATOM 380 CE2 PHE A 24 4.716 -3.572 4.735 1.00 1.13 C ATOM 381 CZ PHE A 24 3.869 -2.931 5.618 1.00 32.34 C ATOM 0 H PHE A 24 1.533 -5.190 -0.428 1.00 50.32 H new ATOM 0 HA PHE A 24 1.116 -2.942 1.379 1.00 21.31 H new ATOM 0 HB2 PHE A 24 1.437 -5.262 2.199 1.00 4.12 H new ATOM 0 HB3 PHE A 24 3.049 -5.282 1.513 1.00 4.12 H new ATOM 0 HD1 PHE A 24 0.962 -3.303 3.947 1.00 72.05 H new ATOM 0 HD2 PHE A 24 4.888 -4.624 2.886 1.00 61.41 H new ATOM 0 HE1 PHE A 24 1.856 -2.332 6.022 1.00 72.00 H new ATOM 0 HE2 PHE A 24 5.771 -3.643 4.956 1.00 1.13 H new ATOM 0 HZ PHE A 24 4.261 -2.505 6.530 1.00 32.34 H new ATOM 391 N SER A 25 3.767 -3.179 -0.570 1.00 24.01 N ATOM 392 CA SER A 25 4.790 -2.369 -1.265 1.00 64.34 C ATOM 393 C SER A 25 4.181 -1.025 -1.709 1.00 55.24 C ATOM 394 O SER A 25 4.593 0.033 -1.239 1.00 51.32 O ATOM 395 CB SER A 25 5.354 -3.135 -2.484 1.00 15.03 C ATOM 396 OG SER A 25 6.336 -2.379 -3.184 1.00 52.31 O ATOM 0 H SER A 25 3.651 -4.115 -0.959 1.00 24.01 H new ATOM 0 HA SER A 25 5.611 -2.174 -0.575 1.00 64.34 H new ATOM 0 HB2 SER A 25 5.792 -4.076 -2.150 1.00 15.03 H new ATOM 0 HB3 SER A 25 4.539 -3.386 -3.163 1.00 15.03 H new ATOM 0 HG SER A 25 6.668 -2.899 -3.945 1.00 52.31 H new ATOM 402 N ALA A 26 3.123 -1.113 -2.542 1.00 72.20 N ATOM 403 CA ALA A 26 2.381 0.053 -3.076 1.00 71.05 C ATOM 404 C ALA A 26 1.646 0.852 -1.973 1.00 31.04 C ATOM 405 O ALA A 26 1.314 2.015 -2.177 1.00 71.24 O ATOM 406 CB ALA A 26 1.393 -0.408 -4.156 1.00 55.44 C ATOM 0 H ALA A 26 2.754 -2.006 -2.868 1.00 72.20 H new ATOM 0 HA ALA A 26 3.114 0.730 -3.514 1.00 71.05 H new ATOM 0 HB1 ALA A 26 0.851 0.454 -4.545 1.00 55.44 H new ATOM 0 HB2 ALA A 26 1.939 -0.889 -4.967 1.00 55.44 H new ATOM 0 HB3 ALA A 26 0.686 -1.117 -3.724 1.00 55.44 H new ATOM 412 N TYR A 27 1.381 0.213 -0.813 1.00 74.24 N ATOM 413 CA TYR A 27 0.783 0.888 0.364 1.00 21.41 C ATOM 414 C TYR A 27 1.804 1.830 1.043 1.00 74.03 C ATOM 415 O TYR A 27 1.476 2.964 1.402 1.00 44.41 O ATOM 416 CB TYR A 27 0.296 -0.173 1.372 1.00 30.13 C ATOM 417 CG TYR A 27 -0.384 0.392 2.635 1.00 11.33 C ATOM 418 CD1 TYR A 27 -1.572 1.128 2.543 1.00 44.32 C ATOM 419 CD2 TYR A 27 0.167 0.209 3.909 1.00 35.32 C ATOM 420 CE1 TYR A 27 -2.181 1.651 3.667 1.00 15.33 C ATOM 421 CE2 TYR A 27 -0.441 0.733 5.030 1.00 44.23 C ATOM 422 CZ TYR A 27 -1.612 1.454 4.906 1.00 51.24 C ATOM 423 OH TYR A 27 -2.208 1.982 6.027 1.00 14.30 O ATOM 0 H TYR A 27 1.573 -0.778 -0.664 1.00 74.24 H new ATOM 0 HA TYR A 27 -0.061 1.490 0.027 1.00 21.41 H new ATOM 0 HB2 TYR A 27 -0.405 -0.838 0.867 1.00 30.13 H new ATOM 0 HB3 TYR A 27 1.148 -0.781 1.677 1.00 30.13 H new ATOM 0 HD1 TYR A 27 -2.021 1.290 1.574 1.00 44.32 H new ATOM 0 HD2 TYR A 27 1.084 -0.352 4.015 1.00 35.32 H new ATOM 0 HE1 TYR A 27 -3.099 2.212 3.575 1.00 15.33 H new ATOM 0 HE2 TYR A 27 -0.002 0.580 6.005 1.00 44.23 H new ATOM 0 HH TYR A 27 -1.679 1.750 6.819 1.00 14.30 H new ATOM 433 N ARG A 28 3.041 1.324 1.218 1.00 4.32 N ATOM 434 CA ARG A 28 4.172 2.101 1.778 1.00 51.03 C ATOM 435 C ARG A 28 4.632 3.177 0.774 1.00 3.32 C ATOM 436 O ARG A 28 5.183 4.215 1.166 1.00 35.04 O ATOM 437 CB ARG A 28 5.350 1.160 2.153 1.00 24.52 C ATOM 438 CG ARG A 28 5.014 0.101 3.230 1.00 44.03 C ATOM 439 CD ARG A 28 4.654 0.720 4.593 1.00 14.34 C ATOM 440 NE ARG A 28 5.780 1.460 5.188 1.00 64.13 N ATOM 441 CZ ARG A 28 5.762 2.085 6.351 1.00 73.32 C ATOM 442 NH1 ARG A 28 4.684 2.145 7.081 1.00 0.44 N ATOM 443 NH2 ARG A 28 6.838 2.646 6.780 1.00 42.34 N ATOM 0 H ARG A 28 3.287 0.364 0.976 1.00 4.32 H new ATOM 0 HA ARG A 28 3.834 2.599 2.686 1.00 51.03 H new ATOM 0 HB2 ARG A 28 5.689 0.648 1.252 1.00 24.52 H new ATOM 0 HB3 ARG A 28 6.183 1.767 2.507 1.00 24.52 H new ATOM 0 HG2 ARG A 28 4.180 -0.510 2.883 1.00 44.03 H new ATOM 0 HG3 ARG A 28 5.867 -0.566 3.354 1.00 44.03 H new ATOM 0 HD2 ARG A 28 3.805 1.392 4.471 1.00 14.34 H new ATOM 0 HD3 ARG A 28 4.340 -0.069 5.276 1.00 14.34 H new ATOM 0 HE ARG A 28 6.649 1.492 4.655 1.00 64.13 H new ATOM 0 HH11 ARG A 28 3.824 1.702 6.758 1.00 0.44 H new ATOM 0 HH12 ARG A 28 4.700 2.635 7.975 1.00 0.44 H new ATOM 0 HH21 ARG A 28 7.692 2.605 6.223 1.00 42.34 H new ATOM 0 HH22 ARG A 28 6.837 3.132 7.677 1.00 42.34 H new ATOM 457 N VAL A 29 4.380 2.913 -0.524 1.00 24.41 N ATOM 458 CA VAL A 29 4.606 3.910 -1.597 1.00 25.20 C ATOM 459 C VAL A 29 3.574 5.044 -1.467 1.00 2.24 C ATOM 460 O VAL A 29 3.930 6.212 -1.460 1.00 75.15 O ATOM 461 CB VAL A 29 4.546 3.274 -3.045 1.00 4.15 C ATOM 462 CG1 VAL A 29 4.671 4.351 -4.151 1.00 32.21 C ATOM 463 CG2 VAL A 29 5.628 2.186 -3.226 1.00 63.03 C ATOM 0 H VAL A 29 4.020 2.019 -0.857 1.00 24.41 H new ATOM 0 HA VAL A 29 5.614 4.305 -1.472 1.00 25.20 H new ATOM 0 HB VAL A 29 3.567 2.804 -3.145 1.00 4.15 H new ATOM 0 HG11 VAL A 29 4.625 3.874 -5.130 1.00 32.21 H new ATOM 0 HG12 VAL A 29 3.853 5.066 -4.057 1.00 32.21 H new ATOM 0 HG13 VAL A 29 5.622 4.872 -4.045 1.00 32.21 H new ATOM 0 HG21 VAL A 29 5.560 1.769 -4.231 1.00 63.03 H new ATOM 0 HG22 VAL A 29 6.615 2.626 -3.082 1.00 63.03 H new ATOM 0 HG23 VAL A 29 5.474 1.394 -2.493 1.00 63.03 H new ATOM 473 N LYS A 30 2.299 4.673 -1.310 1.00 72.41 N ATOM 474 CA LYS A 30 1.190 5.638 -1.079 1.00 3.44 C ATOM 475 C LYS A 30 1.312 6.355 0.281 1.00 22.22 C ATOM 476 O LYS A 30 0.737 7.420 0.472 1.00 10.15 O ATOM 477 CB LYS A 30 -0.183 4.928 -1.194 1.00 32.24 C ATOM 478 CG LYS A 30 -0.568 4.561 -2.639 1.00 25.51 C ATOM 479 CD LYS A 30 -1.885 3.759 -2.722 1.00 14.20 C ATOM 480 CE LYS A 30 -2.353 3.533 -4.172 1.00 3.43 C ATOM 481 NZ LYS A 30 -1.305 2.901 -5.009 1.00 34.12 N ATOM 0 H LYS A 30 1.995 3.700 -1.337 1.00 72.41 H new ATOM 0 HA LYS A 30 1.263 6.401 -1.854 1.00 3.44 H new ATOM 0 HB2 LYS A 30 -0.165 4.021 -0.590 1.00 32.24 H new ATOM 0 HB3 LYS A 30 -0.953 5.575 -0.775 1.00 32.24 H new ATOM 0 HG2 LYS A 30 -0.666 5.474 -3.227 1.00 25.51 H new ATOM 0 HG3 LYS A 30 0.236 3.978 -3.087 1.00 25.51 H new ATOM 0 HD2 LYS A 30 -1.749 2.794 -2.234 1.00 14.20 H new ATOM 0 HD3 LYS A 30 -2.663 4.288 -2.172 1.00 14.20 H new ATOM 0 HE2 LYS A 30 -3.243 2.903 -4.170 1.00 3.43 H new ATOM 0 HE3 LYS A 30 -2.640 4.488 -4.612 1.00 3.43 H new ATOM 0 HZ1 LYS A 30 -1.707 2.645 -5.934 1.00 34.12 H new ATOM 0 HZ2 LYS A 30 -0.520 3.569 -5.145 1.00 34.12 H new ATOM 0 HZ3 LYS A 30 -0.952 2.045 -4.536 1.00 34.12 H new ATOM 495 N ALA A 31 2.052 5.773 1.228 1.00 75.11 N ATOM 496 CA ALA A 31 2.369 6.470 2.486 1.00 2.43 C ATOM 497 C ALA A 31 3.313 7.649 2.201 1.00 1.12 C ATOM 498 O ALA A 31 3.018 8.793 2.543 1.00 5.30 O ATOM 499 CB ALA A 31 2.995 5.523 3.508 1.00 51.31 C ATOM 0 H ALA A 31 2.441 4.833 1.154 1.00 75.11 H new ATOM 0 HA ALA A 31 1.439 6.845 2.912 1.00 2.43 H new ATOM 0 HB1 ALA A 31 3.216 6.071 4.424 1.00 51.31 H new ATOM 0 HB2 ALA A 31 2.299 4.714 3.728 1.00 51.31 H new ATOM 0 HB3 ALA A 31 3.917 5.108 3.102 1.00 51.31 H new ATOM 505 N TYR A 32 4.422 7.341 1.515 1.00 54.23 N ATOM 506 CA TYR A 32 5.465 8.324 1.198 1.00 72.33 C ATOM 507 C TYR A 32 4.966 9.354 0.170 1.00 51.40 C ATOM 508 O TYR A 32 4.823 10.522 0.488 1.00 73.14 O ATOM 509 CB TYR A 32 6.739 7.592 0.693 1.00 22.20 C ATOM 510 CG TYR A 32 7.975 8.495 0.526 1.00 73.14 C ATOM 511 CD1 TYR A 32 8.715 8.911 1.635 1.00 12.23 C ATOM 512 CD2 TYR A 32 8.397 8.935 -0.734 1.00 3.44 C ATOM 513 CE1 TYR A 32 9.823 9.718 1.496 1.00 13.40 C ATOM 514 CE2 TYR A 32 9.510 9.746 -0.874 1.00 51.20 C ATOM 515 CZ TYR A 32 10.216 10.135 0.242 1.00 12.34 C ATOM 516 OH TYR A 32 11.326 10.939 0.108 1.00 41.12 O ATOM 0 H TYR A 32 4.621 6.404 1.165 1.00 54.23 H new ATOM 0 HA TYR A 32 5.716 8.874 2.105 1.00 72.33 H new ATOM 0 HB2 TYR A 32 6.982 6.791 1.391 1.00 22.20 H new ATOM 0 HB3 TYR A 32 6.516 7.123 -0.265 1.00 22.20 H new ATOM 0 HD1 TYR A 32 8.412 8.594 2.622 1.00 12.23 H new ATOM 0 HD2 TYR A 32 7.844 8.636 -1.613 1.00 3.44 H new ATOM 0 HE1 TYR A 32 10.383 10.023 2.368 1.00 13.40 H new ATOM 0 HE2 TYR A 32 9.823 10.072 -1.855 1.00 51.20 H new ATOM 0 HH TYR A 32 11.469 11.143 -0.840 1.00 41.12 H new ATOM 526 N ASN A 33 4.665 8.866 -1.030 1.00 43.42 N ATOM 527 CA ASN A 33 4.219 9.670 -2.192 1.00 11.42 C ATOM 528 C ASN A 33 2.956 10.510 -1.911 1.00 53.32 C ATOM 529 O ASN A 33 2.970 11.729 -2.087 1.00 42.20 O ATOM 530 CB ASN A 33 3.953 8.745 -3.411 1.00 34.24 C ATOM 531 CG ASN A 33 5.188 7.982 -3.905 1.00 44.35 C ATOM 532 OD1 ASN A 33 6.120 7.706 -3.153 1.00 40.13 O ATOM 533 ND2 ASN A 33 5.193 7.605 -5.166 1.00 52.31 N ATOM 0 H ASN A 33 4.723 7.869 -1.240 1.00 43.42 H new ATOM 0 HA ASN A 33 5.029 10.368 -2.405 1.00 11.42 H new ATOM 0 HB2 ASN A 33 3.179 8.026 -3.144 1.00 34.24 H new ATOM 0 HB3 ASN A 33 3.560 9.347 -4.230 1.00 34.24 H new ATOM 0 HD21 ASN A 33 5.981 7.073 -5.536 1.00 52.31 H new ATOM 0 HD22 ASN A 33 4.409 7.845 -5.773 1.00 52.31 H new ATOM 540 N SER A 34 1.875 9.850 -1.467 1.00 51.24 N ATOM 541 CA SER A 34 0.539 10.508 -1.358 1.00 5.43 C ATOM 542 C SER A 34 0.481 11.479 -0.174 1.00 52.41 C ATOM 543 O SER A 34 -0.036 12.591 -0.316 1.00 34.42 O ATOM 544 CB SER A 34 -0.608 9.484 -1.245 1.00 22.42 C ATOM 545 OG SER A 34 -1.875 10.126 -1.162 1.00 24.02 O ATOM 0 H SER A 34 1.886 8.872 -1.178 1.00 51.24 H new ATOM 0 HA SER A 34 0.404 11.071 -2.282 1.00 5.43 H new ATOM 0 HB2 SER A 34 -0.591 8.821 -2.110 1.00 22.42 H new ATOM 0 HB3 SER A 34 -0.456 8.862 -0.363 1.00 22.42 H new ATOM 0 HG SER A 34 -2.581 9.449 -1.093 1.00 24.02 H new ATOM 551 N ALA A 35 1.002 11.057 1.005 1.00 62.41 N ATOM 552 CA ALA A 35 1.055 11.946 2.186 1.00 34.43 C ATOM 553 C ALA A 35 2.050 13.105 1.975 1.00 12.45 C ATOM 554 O ALA A 35 1.854 14.178 2.529 1.00 13.44 O ATOM 555 CB ALA A 35 1.379 11.180 3.473 1.00 71.10 C ATOM 0 H ALA A 35 1.384 10.124 1.160 1.00 62.41 H new ATOM 0 HA ALA A 35 0.058 12.370 2.302 1.00 34.43 H new ATOM 0 HB1 ALA A 35 1.407 11.875 4.313 1.00 71.10 H new ATOM 0 HB2 ALA A 35 0.612 10.427 3.651 1.00 71.10 H new ATOM 0 HB3 ALA A 35 2.349 10.693 3.372 1.00 71.10 H new ATOM 561 N ALA A 36 3.122 12.870 1.177 1.00 74.40 N ATOM 562 CA ALA A 36 4.038 13.963 0.731 1.00 43.00 C ATOM 563 C ALA A 36 3.314 14.990 -0.177 1.00 42.13 C ATOM 564 O ALA A 36 3.444 16.194 0.021 1.00 12.01 O ATOM 565 CB ALA A 36 5.273 13.407 0.000 1.00 51.22 C ATOM 0 H ALA A 36 3.376 11.945 0.830 1.00 74.40 H new ATOM 0 HA ALA A 36 4.368 14.474 1.636 1.00 43.00 H new ATOM 0 HB1 ALA A 36 5.915 14.232 -0.309 1.00 51.22 H new ATOM 0 HB2 ALA A 36 5.826 12.748 0.669 1.00 51.22 H new ATOM 0 HB3 ALA A 36 4.954 12.847 -0.879 1.00 51.22 H new ATOM 571 N SER A 37 2.551 14.486 -1.171 1.00 33.21 N ATOM 572 CA SER A 37 1.798 15.334 -2.136 1.00 0.21 C ATOM 573 C SER A 37 0.711 16.174 -1.432 1.00 42.32 C ATOM 574 O SER A 37 0.535 17.360 -1.732 1.00 3.24 O ATOM 575 CB SER A 37 1.144 14.462 -3.235 1.00 44.21 C ATOM 576 OG SER A 37 2.119 13.775 -4.004 1.00 45.23 O ATOM 0 H SER A 37 2.436 13.485 -1.331 1.00 33.21 H new ATOM 0 HA SER A 37 2.517 16.015 -2.592 1.00 0.21 H new ATOM 0 HB2 SER A 37 0.468 13.741 -2.775 1.00 44.21 H new ATOM 0 HB3 SER A 37 0.541 15.092 -3.889 1.00 44.21 H new ATOM 0 HG SER A 37 2.500 13.045 -3.473 1.00 45.23 H new ATOM 582 N SER A 38 -0.003 15.542 -0.479 1.00 13.23 N ATOM 583 CA SER A 38 -1.094 16.187 0.285 1.00 1.30 C ATOM 584 C SER A 38 -0.549 17.104 1.382 1.00 50.41 C ATOM 585 O SER A 38 -1.224 18.045 1.784 1.00 22.40 O ATOM 586 CB SER A 38 -2.039 15.123 0.889 1.00 20.32 C ATOM 587 OG SER A 38 -1.344 14.259 1.778 1.00 44.33 O ATOM 0 H SER A 38 0.159 14.570 -0.216 1.00 13.23 H new ATOM 0 HA SER A 38 -1.661 16.805 -0.411 1.00 1.30 H new ATOM 0 HB2 SER A 38 -2.853 15.616 1.420 1.00 20.32 H new ATOM 0 HB3 SER A 38 -2.490 14.537 0.088 1.00 20.32 H new ATOM 0 HG SER A 38 -1.967 13.598 2.145 1.00 44.33 H new ATOM 593 N ASP A 39 0.668 16.809 1.868 1.00 43.22 N ATOM 594 CA ASP A 39 1.427 17.717 2.755 1.00 12.45 C ATOM 595 C ASP A 39 1.740 19.030 2.020 1.00 3.43 C ATOM 596 O ASP A 39 1.436 20.107 2.508 1.00 54.32 O ATOM 597 CB ASP A 39 2.740 17.048 3.213 1.00 23.53 C ATOM 598 CG ASP A 39 3.594 17.924 4.141 1.00 53.52 C ATOM 599 OD1 ASP A 39 3.241 18.066 5.330 1.00 55.34 O ATOM 600 OD2 ASP A 39 4.618 18.478 3.687 1.00 20.50 O ATOM 0 H ASP A 39 1.156 15.938 1.660 1.00 43.22 H new ATOM 0 HA ASP A 39 0.819 17.934 3.633 1.00 12.45 H new ATOM 0 HB2 ASP A 39 2.502 16.117 3.727 1.00 23.53 H new ATOM 0 HB3 ASP A 39 3.329 16.786 2.334 1.00 23.53 H new ATOM 605 N LEU A 40 2.320 18.894 0.810 1.00 52.41 N ATOM 606 CA LEU A 40 2.731 20.037 -0.034 1.00 5.34 C ATOM 607 C LEU A 40 1.508 20.865 -0.469 1.00 15.40 C ATOM 608 O LEU A 40 1.574 22.094 -0.534 1.00 1.23 O ATOM 609 CB LEU A 40 3.519 19.523 -1.271 1.00 4.44 C ATOM 610 CG LEU A 40 4.902 18.861 -0.958 1.00 73.55 C ATOM 611 CD1 LEU A 40 5.518 18.196 -2.209 1.00 53.04 C ATOM 612 CD2 LEU A 40 5.883 19.877 -0.321 1.00 63.01 C ATOM 0 H LEU A 40 2.517 17.986 0.389 1.00 52.41 H new ATOM 0 HA LEU A 40 3.381 20.688 0.550 1.00 5.34 H new ATOM 0 HB2 LEU A 40 2.900 18.798 -1.800 1.00 4.44 H new ATOM 0 HB3 LEU A 40 3.681 20.360 -1.951 1.00 4.44 H new ATOM 0 HG LEU A 40 4.722 18.071 -0.229 1.00 73.55 H new ATOM 0 HD11 LEU A 40 6.477 17.749 -1.948 1.00 53.04 H new ATOM 0 HD12 LEU A 40 4.845 17.422 -2.578 1.00 53.04 H new ATOM 0 HD13 LEU A 40 5.667 18.947 -2.984 1.00 53.04 H new ATOM 0 HD21 LEU A 40 6.834 19.385 -0.116 1.00 63.01 H new ATOM 0 HD22 LEU A 40 6.045 20.707 -1.009 1.00 63.01 H new ATOM 0 HD23 LEU A 40 5.462 20.255 0.611 1.00 63.01 H new ATOM 624 N ARG A 41 0.392 20.165 -0.742 1.00 52.53 N ATOM 625 CA ARG A 41 -0.894 20.783 -1.103 1.00 53.11 C ATOM 626 C ARG A 41 -1.474 21.566 0.098 1.00 4.43 C ATOM 627 O ARG A 41 -1.939 22.700 -0.051 1.00 14.04 O ATOM 628 CB ARG A 41 -1.885 19.678 -1.567 1.00 24.14 C ATOM 629 CG ARG A 41 -3.283 20.184 -1.971 1.00 14.42 C ATOM 630 CD ARG A 41 -3.256 21.120 -3.194 1.00 30.11 C ATOM 631 NE ARG A 41 -4.584 21.695 -3.484 1.00 74.44 N ATOM 632 CZ ARG A 41 -4.884 22.983 -3.468 1.00 44.51 C ATOM 633 NH1 ARG A 41 -4.012 23.875 -3.121 1.00 1.22 N ATOM 634 NH2 ARG A 41 -6.070 23.360 -3.800 1.00 22.02 N ATOM 0 H ARG A 41 0.359 19.146 -0.718 1.00 52.53 H new ATOM 0 HA ARG A 41 -0.738 21.488 -1.920 1.00 53.11 H new ATOM 0 HB2 ARG A 41 -1.447 19.151 -2.415 1.00 24.14 H new ATOM 0 HB3 ARG A 41 -1.997 18.951 -0.763 1.00 24.14 H new ATOM 0 HG2 ARG A 41 -3.923 19.329 -2.189 1.00 14.42 H new ATOM 0 HG3 ARG A 41 -3.730 20.710 -1.128 1.00 14.42 H new ATOM 0 HD2 ARG A 41 -2.544 21.926 -3.017 1.00 30.11 H new ATOM 0 HD3 ARG A 41 -2.903 20.568 -4.065 1.00 30.11 H new ATOM 0 HE ARG A 41 -5.334 21.044 -3.716 1.00 74.44 H new ATOM 0 HH11 ARG A 41 -3.070 23.590 -2.852 1.00 1.22 H new ATOM 0 HH12 ARG A 41 -4.267 24.863 -3.116 1.00 1.22 H new ATOM 0 HH21 ARG A 41 -6.768 22.668 -4.072 1.00 22.02 H new ATOM 0 HH22 ARG A 41 -6.311 24.351 -3.791 1.00 22.02 H new ATOM 648 N ASN A 42 -1.407 20.937 1.287 1.00 4.22 N ATOM 649 CA ASN A 42 -1.902 21.520 2.556 1.00 72.53 C ATOM 650 C ASN A 42 -1.060 22.749 2.986 1.00 24.25 C ATOM 651 O ASN A 42 -1.597 23.722 3.525 1.00 74.31 O ATOM 652 CB ASN A 42 -1.892 20.430 3.664 1.00 64.11 C ATOM 653 CG ASN A 42 -2.560 20.858 4.974 1.00 33.25 C ATOM 654 OD1 ASN A 42 -3.497 21.650 4.980 1.00 4.33 O ATOM 655 ND2 ASN A 42 -2.094 20.337 6.092 1.00 2.21 N ATOM 0 H ASN A 42 -1.007 20.005 1.398 1.00 4.22 H new ATOM 0 HA ASN A 42 -2.923 21.869 2.402 1.00 72.53 H new ATOM 0 HB2 ASN A 42 -2.396 19.540 3.287 1.00 64.11 H new ATOM 0 HB3 ASN A 42 -0.860 20.148 3.871 1.00 64.11 H new ATOM 0 HD21 ASN A 42 -2.514 20.590 6.986 1.00 2.21 H new ATOM 0 HD22 ASN A 42 -1.314 19.680 6.062 1.00 2.21 H new ATOM 662 N LEU A 43 0.259 22.705 2.719 1.00 3.13 N ATOM 663 CA LEU A 43 1.185 23.822 3.023 1.00 43.22 C ATOM 664 C LEU A 43 0.955 24.982 2.044 1.00 45.41 C ATOM 665 O LEU A 43 1.001 26.148 2.417 1.00 32.44 O ATOM 666 CB LEU A 43 2.672 23.365 2.937 1.00 4.12 C ATOM 667 CG LEU A 43 3.147 22.323 3.997 1.00 73.13 C ATOM 668 CD1 LEU A 43 4.621 21.918 3.758 1.00 4.24 C ATOM 669 CD2 LEU A 43 2.935 22.838 5.437 1.00 24.25 C ATOM 0 H LEU A 43 0.715 21.900 2.289 1.00 3.13 H new ATOM 0 HA LEU A 43 0.981 24.152 4.041 1.00 43.22 H new ATOM 0 HB2 LEU A 43 2.842 22.944 1.946 1.00 4.12 H new ATOM 0 HB3 LEU A 43 3.305 24.248 3.021 1.00 4.12 H new ATOM 0 HG LEU A 43 2.531 21.432 3.878 1.00 73.13 H new ATOM 0 HD11 LEU A 43 4.925 21.191 4.511 1.00 4.24 H new ATOM 0 HD12 LEU A 43 4.721 21.477 2.766 1.00 4.24 H new ATOM 0 HD13 LEU A 43 5.257 22.801 3.828 1.00 4.24 H new ATOM 0 HD21 LEU A 43 3.278 22.085 6.147 1.00 24.25 H new ATOM 0 HD22 LEU A 43 3.502 23.758 5.582 1.00 24.25 H new ATOM 0 HD23 LEU A 43 1.876 23.035 5.601 1.00 24.25 H new ATOM 681 N LYS A 44 0.665 24.638 0.793 1.00 44.33 N ATOM 682 CA LYS A 44 0.540 25.618 -0.288 1.00 52.25 C ATOM 683 C LYS A 44 -0.773 26.405 -0.138 1.00 43.32 C ATOM 684 O LYS A 44 -0.809 27.616 -0.288 1.00 3.01 O ATOM 685 CB LYS A 44 0.581 24.876 -1.645 1.00 54.33 C ATOM 686 CG LYS A 44 0.713 25.777 -2.892 1.00 61.15 C ATOM 687 CD LYS A 44 2.096 26.468 -2.974 1.00 13.11 C ATOM 688 CE LYS A 44 2.260 27.334 -4.229 1.00 22.25 C ATOM 689 NZ LYS A 44 2.182 26.533 -5.472 1.00 73.21 N ATOM 0 H LYS A 44 0.510 23.674 0.497 1.00 44.33 H new ATOM 0 HA LYS A 44 1.366 26.328 -0.242 1.00 52.25 H new ATOM 0 HB2 LYS A 44 1.418 24.178 -1.632 1.00 54.33 H new ATOM 0 HB3 LYS A 44 -0.328 24.282 -1.742 1.00 54.33 H new ATOM 0 HG2 LYS A 44 0.555 25.178 -3.789 1.00 61.15 H new ATOM 0 HG3 LYS A 44 -0.069 26.536 -2.874 1.00 61.15 H new ATOM 0 HD2 LYS A 44 2.239 27.089 -2.090 1.00 13.11 H new ATOM 0 HD3 LYS A 44 2.877 25.708 -2.959 1.00 13.11 H new ATOM 0 HE2 LYS A 44 1.486 28.101 -4.243 1.00 22.25 H new ATOM 0 HE3 LYS A 44 3.219 27.850 -4.190 1.00 22.25 H new ATOM 0 HZ1 LYS A 44 3.035 26.696 -6.044 1.00 73.21 H new ATOM 0 HZ2 LYS A 44 2.115 25.524 -5.231 1.00 73.21 H new ATOM 0 HZ3 LYS A 44 1.342 26.816 -6.015 1.00 73.21 H new ATOM 703 N THR A 45 -1.843 25.691 0.207 1.00 21.25 N ATOM 704 CA THR A 45 -3.187 26.277 0.339 1.00 32.13 C ATOM 705 C THR A 45 -3.317 27.139 1.617 1.00 71.13 C ATOM 706 O THR A 45 -4.043 28.131 1.639 1.00 71.10 O ATOM 707 CB THR A 45 -4.274 25.151 0.322 1.00 42.12 C ATOM 708 OG1 THR A 45 -5.576 25.707 0.037 1.00 51.24 O ATOM 709 CG2 THR A 45 -4.333 24.347 1.634 1.00 42.42 C ATOM 0 H THR A 45 -1.809 24.691 0.404 1.00 21.25 H new ATOM 0 HA THR A 45 -3.345 26.936 -0.515 1.00 32.13 H new ATOM 0 HB THR A 45 -3.983 24.459 -0.468 1.00 42.12 H new ATOM 0 HG1 THR A 45 -6.243 24.989 0.029 1.00 51.24 H new ATOM 0 HG21 THR A 45 -5.106 23.582 1.558 1.00 42.42 H new ATOM 0 HG22 THR A 45 -3.369 23.871 1.813 1.00 42.42 H new ATOM 0 HG23 THR A 45 -4.566 25.017 2.461 1.00 42.42 H new ATOM 717 N ALA A 46 -2.595 26.735 2.676 1.00 74.22 N ATOM 718 CA ALA A 46 -2.595 27.440 3.980 1.00 34.11 C ATOM 719 C ALA A 46 -1.675 28.682 3.965 1.00 51.03 C ATOM 720 O ALA A 46 -2.138 29.818 4.169 1.00 20.05 O ATOM 721 CB ALA A 46 -2.179 26.469 5.098 1.00 1.34 C ATOM 0 H ALA A 46 -1.993 25.911 2.658 1.00 74.22 H new ATOM 0 HA ALA A 46 -3.608 27.795 4.170 1.00 34.11 H new ATOM 0 HB1 ALA A 46 -2.181 26.993 6.054 1.00 1.34 H new ATOM 0 HB2 ALA A 46 -2.883 25.638 5.138 1.00 1.34 H new ATOM 0 HB3 ALA A 46 -1.178 26.088 4.895 1.00 1.34 H new ATOM 727 N LEU A 47 -0.371 28.453 3.717 1.00 54.55 N ATOM 728 CA LEU A 47 0.657 29.516 3.760 1.00 1.25 C ATOM 729 C LEU A 47 0.440 30.574 2.663 1.00 42.32 C ATOM 730 O LEU A 47 0.507 31.768 2.951 1.00 51.41 O ATOM 731 CB LEU A 47 2.102 28.933 3.677 1.00 13.23 C ATOM 732 CG LEU A 47 2.664 28.250 4.973 1.00 32.03 C ATOM 733 CD1 LEU A 47 2.642 29.221 6.178 1.00 24.13 C ATOM 734 CD2 LEU A 47 1.942 26.921 5.301 1.00 54.40 C ATOM 0 H LEU A 47 -0.000 27.532 3.482 1.00 54.55 H new ATOM 0 HA LEU A 47 0.547 30.008 4.726 1.00 1.25 H new ATOM 0 HB2 LEU A 47 2.128 28.202 2.869 1.00 13.23 H new ATOM 0 HB3 LEU A 47 2.779 29.740 3.398 1.00 13.23 H new ATOM 0 HG LEU A 47 3.704 27.997 4.769 1.00 32.03 H new ATOM 0 HD11 LEU A 47 3.038 28.716 7.059 1.00 24.13 H new ATOM 0 HD12 LEU A 47 3.255 30.094 5.953 1.00 24.13 H new ATOM 0 HD13 LEU A 47 1.617 29.538 6.371 1.00 24.13 H new ATOM 0 HD21 LEU A 47 2.368 26.489 6.206 1.00 54.40 H new ATOM 0 HD22 LEU A 47 0.880 27.112 5.456 1.00 54.40 H new ATOM 0 HD23 LEU A 47 2.068 26.224 4.472 1.00 54.40 H new ATOM 746 N GLU A 48 0.140 30.149 1.416 1.00 44.52 N ATOM 747 CA GLU A 48 -0.036 31.110 0.297 1.00 31.13 C ATOM 748 C GLU A 48 -1.361 31.875 0.396 1.00 14.32 C ATOM 749 O GLU A 48 -1.519 32.891 -0.260 1.00 24.00 O ATOM 750 CB GLU A 48 0.097 30.418 -1.077 1.00 51.34 C ATOM 751 CG GLU A 48 1.435 29.682 -1.280 1.00 11.12 C ATOM 752 CD GLU A 48 2.680 30.558 -1.003 1.00 74.32 C ATOM 753 OE1 GLU A 48 2.827 31.620 -1.648 1.00 53.23 O ATOM 754 OE2 GLU A 48 3.514 30.187 -0.147 1.00 13.30 O ATOM 0 H GLU A 48 0.016 29.170 1.159 1.00 44.52 H new ATOM 0 HA GLU A 48 0.770 31.838 0.385 1.00 31.13 H new ATOM 0 HB2 GLU A 48 -0.719 29.705 -1.194 1.00 51.34 H new ATOM 0 HB3 GLU A 48 -0.017 31.166 -1.862 1.00 51.34 H new ATOM 0 HG2 GLU A 48 1.463 28.811 -0.625 1.00 11.12 H new ATOM 0 HG3 GLU A 48 1.483 29.312 -2.304 1.00 11.12 H new ATOM 761 N SER A 49 -2.305 31.380 1.216 1.00 61.42 N ATOM 762 CA SER A 49 -3.524 32.144 1.584 1.00 75.01 C ATOM 763 C SER A 49 -3.153 33.312 2.534 1.00 70.44 C ATOM 764 O SER A 49 -3.707 34.414 2.437 1.00 61.14 O ATOM 765 CB SER A 49 -4.566 31.219 2.258 1.00 24.52 C ATOM 766 OG SER A 49 -5.770 31.911 2.577 1.00 52.31 O ATOM 0 H SER A 49 -2.253 30.454 1.640 1.00 61.42 H new ATOM 0 HA SER A 49 -3.964 32.552 0.674 1.00 75.01 H new ATOM 0 HB2 SER A 49 -4.793 30.385 1.594 1.00 24.52 H new ATOM 0 HB3 SER A 49 -4.140 30.796 3.168 1.00 24.52 H new ATOM 0 HG SER A 49 -6.401 31.292 2.999 1.00 52.31 H new ATOM 772 N ALA A 50 -2.168 33.052 3.420 1.00 10.20 N ATOM 773 CA ALA A 50 -1.652 34.043 4.390 1.00 1.14 C ATOM 774 C ALA A 50 -0.859 35.156 3.679 1.00 70.53 C ATOM 775 O ALA A 50 -0.968 36.335 4.030 1.00 21.00 O ATOM 776 CB ALA A 50 -0.759 33.341 5.424 1.00 44.22 C ATOM 0 H ALA A 50 -1.706 32.145 3.483 1.00 10.20 H new ATOM 0 HA ALA A 50 -2.502 34.503 4.895 1.00 1.14 H new ATOM 0 HB1 ALA A 50 -0.381 34.075 6.136 1.00 44.22 H new ATOM 0 HB2 ALA A 50 -1.340 32.586 5.954 1.00 44.22 H new ATOM 0 HB3 ALA A 50 0.079 32.863 4.916 1.00 44.22 H new ATOM 782 N PHE A 51 -0.056 34.756 2.678 1.00 20.34 N ATOM 783 CA PHE A 51 0.714 35.696 1.836 1.00 52.11 C ATOM 784 C PHE A 51 -0.234 36.479 0.899 1.00 22.51 C ATOM 785 O PHE A 51 -0.121 37.701 0.764 1.00 43.44 O ATOM 786 CB PHE A 51 1.806 34.939 1.034 1.00 55.22 C ATOM 787 CG PHE A 51 2.907 34.315 1.908 1.00 34.10 C ATOM 788 CD1 PHE A 51 3.751 35.123 2.673 1.00 44.21 C ATOM 789 CD2 PHE A 51 3.104 32.936 1.958 1.00 45.33 C ATOM 790 CE1 PHE A 51 4.740 34.568 3.468 1.00 24.24 C ATOM 791 CE2 PHE A 51 4.091 32.380 2.753 1.00 74.40 C ATOM 792 CZ PHE A 51 4.913 33.197 3.504 1.00 71.45 C ATOM 0 H PHE A 51 0.079 33.776 2.428 1.00 20.34 H new ATOM 0 HA PHE A 51 1.216 36.416 2.482 1.00 52.11 H new ATOM 0 HB2 PHE A 51 1.331 34.151 0.449 1.00 55.22 H new ATOM 0 HB3 PHE A 51 2.266 35.629 0.326 1.00 55.22 H new ATOM 0 HD1 PHE A 51 3.631 36.196 2.644 1.00 44.21 H new ATOM 0 HD2 PHE A 51 2.474 32.289 1.365 1.00 45.33 H new ATOM 0 HE1 PHE A 51 5.377 35.207 4.061 1.00 24.24 H new ATOM 0 HE2 PHE A 51 4.218 31.308 2.786 1.00 74.40 H new ATOM 0 HZ PHE A 51 5.690 32.766 4.118 1.00 71.45 H new ATOM 802 N ALA A 52 -1.221 35.768 0.317 1.00 33.02 N ATOM 803 CA ALA A 52 -2.213 36.367 -0.627 1.00 31.12 C ATOM 804 C ALA A 52 -3.302 37.191 0.107 1.00 60.11 C ATOM 805 O ALA A 52 -4.209 37.742 -0.529 1.00 31.21 O ATOM 806 CB ALA A 52 -2.852 35.279 -1.504 1.00 70.43 C ATOM 0 H ALA A 52 -1.361 34.771 0.480 1.00 33.02 H new ATOM 0 HA ALA A 52 -1.668 37.060 -1.268 1.00 31.12 H new ATOM 0 HB1 ALA A 52 -3.571 35.736 -2.184 1.00 70.43 H new ATOM 0 HB2 ALA A 52 -2.077 34.775 -2.081 1.00 70.43 H new ATOM 0 HB3 ALA A 52 -3.362 34.554 -0.870 1.00 70.43 H new ATOM 812 N ASP A 53 -3.215 37.254 1.448 1.00 52.54 N ATOM 813 CA ASP A 53 -4.038 38.157 2.269 1.00 23.05 C ATOM 814 C ASP A 53 -3.601 39.631 2.049 1.00 4.41 C ATOM 815 O ASP A 53 -4.430 40.511 1.817 1.00 41.15 O ATOM 816 CB ASP A 53 -3.905 37.762 3.764 1.00 4.12 C ATOM 817 CG ASP A 53 -4.780 38.620 4.696 1.00 75.13 C ATOM 818 OD1 ASP A 53 -5.971 38.297 4.876 1.00 42.22 O ATOM 819 OD2 ASP A 53 -4.283 39.624 5.245 1.00 30.13 O ATOM 0 H ASP A 53 -2.571 36.679 1.992 1.00 52.54 H new ATOM 0 HA ASP A 53 -5.083 38.066 1.971 1.00 23.05 H new ATOM 0 HB2 ASP A 53 -4.179 36.714 3.882 1.00 4.12 H new ATOM 0 HB3 ASP A 53 -2.862 37.855 4.067 1.00 4.12 H new ATOM 824 N ASP A 54 -2.279 39.869 2.117 1.00 23.50 N ATOM 825 CA ASP A 54 -1.683 41.223 2.014 1.00 63.11 C ATOM 826 C ASP A 54 -1.411 41.619 0.540 1.00 4.00 C ATOM 827 O ASP A 54 -1.994 42.583 0.027 1.00 63.12 O ATOM 828 CB ASP A 54 -0.371 41.275 2.836 1.00 13.54 C ATOM 829 CG ASP A 54 -0.582 40.828 4.287 1.00 4.23 C ATOM 830 OD1 ASP A 54 -0.943 41.671 5.136 1.00 73.43 O ATOM 831 OD2 ASP A 54 -0.402 39.627 4.583 1.00 12.44 O ATOM 0 H ASP A 54 -1.588 39.130 2.245 1.00 23.50 H new ATOM 0 HA ASP A 54 -2.397 41.941 2.418 1.00 63.11 H new ATOM 0 HB2 ASP A 54 0.377 40.637 2.365 1.00 13.54 H new ATOM 0 HB3 ASP A 54 0.024 42.291 2.824 1.00 13.54 H new ATOM 836 N GLN A 55 -0.531 40.847 -0.133 1.00 24.33 N ATOM 837 CA GLN A 55 -0.088 41.143 -1.525 1.00 25.13 C ATOM 838 C GLN A 55 -1.182 40.825 -2.571 1.00 40.40 C ATOM 839 O GLN A 55 -1.077 41.270 -3.718 1.00 3.41 O ATOM 840 CB GLN A 55 1.207 40.343 -1.860 1.00 41.42 C ATOM 841 CG GLN A 55 1.009 38.818 -1.980 1.00 30.40 C ATOM 842 CD GLN A 55 2.318 38.045 -2.122 1.00 21.34 C ATOM 843 OE1 GLN A 55 2.797 37.806 -3.225 1.00 34.12 O ATOM 844 NE2 GLN A 55 2.914 37.673 -1.005 1.00 14.41 N ATOM 0 H GLN A 55 -0.108 40.008 0.263 1.00 24.33 H new ATOM 0 HA GLN A 55 0.115 42.213 -1.575 1.00 25.13 H new ATOM 0 HB2 GLN A 55 1.617 40.717 -2.798 1.00 41.42 H new ATOM 0 HB3 GLN A 55 1.950 40.540 -1.087 1.00 41.42 H new ATOM 0 HG2 GLN A 55 0.477 38.458 -1.099 1.00 30.40 H new ATOM 0 HG3 GLN A 55 0.377 38.608 -2.843 1.00 30.40 H new ATOM 0 HE21 GLN A 55 2.488 37.888 -0.104 1.00 14.41 H new ATOM 0 HE22 GLN A 55 3.801 37.170 -1.043 1.00 14.41 H new ATOM 853 N THR A 56 -2.201 40.023 -2.157 1.00 54.14 N ATOM 854 CA THR A 56 -3.337 39.546 -3.005 1.00 1.13 C ATOM 855 C THR A 56 -2.916 38.406 -3.973 1.00 5.14 C ATOM 856 O THR A 56 -3.619 37.402 -4.096 1.00 23.50 O ATOM 857 CB THR A 56 -4.062 40.699 -3.801 1.00 32.50 C ATOM 858 OG1 THR A 56 -4.392 41.781 -2.906 1.00 72.14 O ATOM 859 CG2 THR A 56 -5.355 40.223 -4.495 1.00 70.22 C ATOM 0 H THR A 56 -2.259 39.679 -1.198 1.00 54.14 H new ATOM 0 HA THR A 56 -4.060 39.146 -2.295 1.00 1.13 H new ATOM 0 HB THR A 56 -3.367 41.030 -4.573 1.00 32.50 H new ATOM 0 HG1 THR A 56 -4.840 42.494 -3.407 1.00 72.14 H new ATOM 0 HG21 THR A 56 -5.811 41.058 -5.027 1.00 70.22 H new ATOM 0 HG22 THR A 56 -5.117 39.429 -5.202 1.00 70.22 H new ATOM 0 HG23 THR A 56 -6.052 39.846 -3.747 1.00 70.22 H new ATOM 867 N TYR A 57 -1.766 38.581 -4.642 1.00 33.51 N ATOM 868 CA TYR A 57 -1.202 37.621 -5.613 1.00 11.20 C ATOM 869 C TYR A 57 -0.741 36.292 -4.940 1.00 61.11 C ATOM 870 O TYR A 57 0.107 36.320 -4.042 1.00 12.12 O ATOM 871 CB TYR A 57 -0.002 38.300 -6.337 1.00 21.45 C ATOM 872 CG TYR A 57 0.785 37.402 -7.320 1.00 73.15 C ATOM 873 CD1 TYR A 57 0.223 36.989 -8.533 1.00 71.02 C ATOM 874 CD2 TYR A 57 2.092 36.982 -7.036 1.00 31.11 C ATOM 875 CE1 TYR A 57 0.929 36.187 -9.415 1.00 3.14 C ATOM 876 CE2 TYR A 57 2.797 36.182 -7.916 1.00 54.40 C ATOM 877 CZ TYR A 57 2.216 35.791 -9.106 1.00 34.52 C ATOM 878 OH TYR A 57 2.917 34.993 -9.982 1.00 54.31 O ATOM 0 H TYR A 57 -1.186 39.412 -4.523 1.00 33.51 H new ATOM 0 HA TYR A 57 -1.983 37.354 -6.325 1.00 11.20 H new ATOM 0 HB2 TYR A 57 -0.375 39.166 -6.884 1.00 21.45 H new ATOM 0 HB3 TYR A 57 0.690 38.673 -5.582 1.00 21.45 H new ATOM 0 HD1 TYR A 57 -0.779 37.301 -8.786 1.00 71.02 H new ATOM 0 HD2 TYR A 57 2.557 37.290 -6.111 1.00 31.11 H new ATOM 0 HE1 TYR A 57 0.474 35.872 -10.342 1.00 3.14 H new ATOM 0 HE2 TYR A 57 3.800 35.864 -7.673 1.00 54.40 H new ATOM 0 HH TYR A 57 3.806 34.807 -9.615 1.00 54.31 H new ATOM 888 N PRO A 58 -1.339 35.119 -5.327 1.00 70.22 N ATOM 889 CA PRO A 58 -0.750 33.785 -5.047 1.00 54.13 C ATOM 890 C PRO A 58 0.200 33.343 -6.206 1.00 51.53 C ATOM 891 O PRO A 58 0.203 33.975 -7.267 1.00 20.31 O ATOM 892 CB PRO A 58 -2.020 32.904 -4.952 1.00 42.33 C ATOM 893 CG PRO A 58 -2.968 33.499 -5.955 1.00 10.44 C ATOM 894 CD PRO A 58 -2.655 34.989 -6.015 1.00 42.34 C ATOM 0 HA PRO A 58 -0.125 33.737 -4.155 1.00 54.13 H new ATOM 0 HB2 PRO A 58 -1.799 31.862 -5.185 1.00 42.33 H new ATOM 0 HB3 PRO A 58 -2.442 32.923 -3.947 1.00 42.33 H new ATOM 0 HG2 PRO A 58 -2.839 33.036 -6.933 1.00 10.44 H new ATOM 0 HG3 PRO A 58 -4.003 33.332 -5.657 1.00 10.44 H new ATOM 0 HD2 PRO A 58 -2.602 35.343 -7.045 1.00 42.34 H new ATOM 0 HD3 PRO A 58 -3.425 35.577 -5.515 1.00 42.34 H new ATOM 902 N PRO A 59 1.022 32.252 -6.059 1.00 1.41 N ATOM 903 CA PRO A 59 1.954 31.780 -7.148 1.00 15.44 C ATOM 904 C PRO A 59 1.258 31.182 -8.415 1.00 73.43 C ATOM 905 O PRO A 59 1.932 30.550 -9.230 1.00 54.01 O ATOM 906 CB PRO A 59 2.822 30.700 -6.431 1.00 43.10 C ATOM 907 CG PRO A 59 2.596 30.932 -4.967 1.00 12.03 C ATOM 908 CD PRO A 59 1.173 31.417 -4.850 1.00 12.32 C ATOM 0 HA PRO A 59 2.513 32.621 -7.558 1.00 15.44 H new ATOM 0 HB2 PRO A 59 2.521 29.694 -6.723 1.00 43.10 H new ATOM 0 HB3 PRO A 59 3.876 30.805 -6.689 1.00 43.10 H new ATOM 0 HG2 PRO A 59 2.746 30.015 -4.397 1.00 12.03 H new ATOM 0 HG3 PRO A 59 3.296 31.670 -4.574 1.00 12.03 H new ATOM 0 HD2 PRO A 59 0.462 30.591 -4.836 1.00 12.32 H new ATOM 0 HD3 PRO A 59 1.013 31.991 -3.937 1.00 12.32 H new ATOM 916 N GLU A 60 -0.063 31.414 -8.574 1.00 12.22 N ATOM 917 CA GLU A 60 -0.906 30.880 -9.656 1.00 33.34 C ATOM 918 C GLU A 60 -1.008 29.331 -9.594 1.00 24.21 C ATOM 919 O GLU A 60 -2.037 28.794 -9.167 1.00 21.11 O ATOM 920 CB GLU A 60 -0.464 31.395 -11.060 1.00 44.15 C ATOM 921 CG GLU A 60 -1.510 31.152 -12.160 1.00 53.42 C ATOM 922 CD GLU A 60 -1.115 31.750 -13.518 1.00 73.42 C ATOM 923 OE1 GLU A 60 -1.206 32.982 -13.677 1.00 34.25 O ATOM 924 OE2 GLU A 60 -0.707 30.998 -14.428 1.00 53.30 O ATOM 0 H GLU A 60 -0.588 32.001 -7.926 1.00 12.22 H new ATOM 0 HA GLU A 60 -1.912 31.267 -9.496 1.00 33.34 H new ATOM 0 HB2 GLU A 60 -0.256 32.463 -10.997 1.00 44.15 H new ATOM 0 HB3 GLU A 60 0.468 30.905 -11.341 1.00 44.15 H new ATOM 0 HG2 GLU A 60 -1.664 30.079 -12.274 1.00 53.42 H new ATOM 0 HG3 GLU A 60 -2.463 31.579 -11.846 1.00 53.42 H new ATOM 931 N SER A 61 0.059 28.624 -10.007 1.00 73.25 N ATOM 932 CA SER A 61 0.156 27.151 -9.850 1.00 20.12 C ATOM 933 C SER A 61 0.879 26.799 -8.510 1.00 0.32 C ATOM 934 O SER A 61 0.282 27.036 -7.439 1.00 33.13 O ATOM 935 CB SER A 61 0.873 26.534 -11.080 1.00 73.24 C ATOM 936 OG SER A 61 0.890 25.120 -10.999 1.00 61.45 O ATOM 937 OXT SER A 61 2.031 26.295 -8.520 1.00 37.13 O ATOM 0 H SER A 61 0.873 29.046 -10.455 1.00 73.25 H new ATOM 0 HA SER A 61 -0.844 26.721 -9.802 1.00 20.12 H new ATOM 0 HB2 SER A 61 0.367 26.844 -11.994 1.00 73.24 H new ATOM 0 HB3 SER A 61 1.894 26.911 -11.138 1.00 73.24 H new ATOM 0 HG SER A 61 1.345 24.753 -11.785 1.00 61.45 H new TER 943 SER A 61