USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 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+ 142:sc= 0.533 (180deg=0.0435) USER MOD Single : A 2 THR OG1 : rot 180:sc=0.000565 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.619 K(o=0.62,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 77:sc= 0.448 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00343) 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= -0.564 X(o=-0.56,f=-0.067) USER MOD Single : A 56 THR OG1 : rot 43:sc= 0.569 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 -3.414 -36.801 6.878 1.00 31.31 N ATOM 2 CA PHE A 1 -3.638 -35.750 5.850 1.00 22.31 C ATOM 3 C PHE A 1 -3.067 -36.211 4.494 1.00 21.14 C ATOM 4 O PHE A 1 -1.911 -36.638 4.426 1.00 12.33 O ATOM 5 CB PHE A 1 -2.956 -34.412 6.274 1.00 23.44 C ATOM 6 CG PHE A 1 -3.347 -33.919 7.670 1.00 30.02 C ATOM 7 CD1 PHE A 1 -4.479 -33.128 7.863 1.00 21.43 C ATOM 8 CD2 PHE A 1 -2.574 -34.246 8.791 1.00 64.34 C ATOM 9 CE1 PHE A 1 -4.827 -32.681 9.122 1.00 74.22 C ATOM 10 CE2 PHE A 1 -2.922 -33.795 10.051 1.00 73.10 C ATOM 11 CZ PHE A 1 -4.049 -33.011 10.216 1.00 42.22 C ATOM 0 H1 PHE A 1 -3.176 -36.353 7.786 1.00 31.31 H new ATOM 0 H2 PHE A 1 -4.278 -37.369 6.988 1.00 31.31 H new ATOM 0 H3 PHE A 1 -2.630 -37.417 6.580 1.00 31.31 H new ATOM 0 HA PHE A 1 -4.711 -35.584 5.756 1.00 22.31 H new ATOM 0 HB2 PHE A 1 -1.874 -34.542 6.237 1.00 23.44 H new ATOM 0 HB3 PHE A 1 -3.210 -33.642 5.545 1.00 23.44 H new ATOM 0 HD1 PHE A 1 -5.093 -32.861 7.015 1.00 21.43 H new ATOM 0 HD2 PHE A 1 -1.693 -34.859 8.670 1.00 64.34 H new ATOM 0 HE1 PHE A 1 -5.709 -32.072 9.253 1.00 74.22 H new ATOM 0 HE2 PHE A 1 -2.314 -34.055 10.905 1.00 73.10 H new ATOM 0 HZ PHE A 1 -4.321 -32.657 11.199 1.00 42.22 H new ATOM 23 N THR A 2 -3.869 -36.136 3.422 1.00 44.03 N ATOM 24 CA THR A 2 -3.364 -36.345 2.046 1.00 51.14 C ATOM 25 C THR A 2 -2.549 -35.128 1.578 1.00 70.52 C ATOM 26 O THR A 2 -2.764 -34.006 2.054 1.00 34.40 O ATOM 27 CB THR A 2 -4.519 -36.641 1.028 1.00 42.31 C ATOM 28 OG1 THR A 2 -3.996 -36.727 -0.304 1.00 60.13 O ATOM 29 CG2 THR A 2 -5.640 -35.596 1.062 1.00 52.41 C ATOM 0 H THR A 2 -4.867 -35.933 3.475 1.00 44.03 H new ATOM 0 HA THR A 2 -2.718 -37.222 2.075 1.00 51.14 H new ATOM 0 HB THR A 2 -4.954 -37.593 1.331 1.00 42.31 H new ATOM 0 HG1 THR A 2 -4.726 -36.914 -0.931 1.00 60.13 H new ATOM 0 HG21 THR A 2 -6.407 -35.861 0.334 1.00 52.41 H new ATOM 0 HG22 THR A 2 -6.081 -35.567 2.059 1.00 52.41 H new ATOM 0 HG23 THR A 2 -5.231 -34.616 0.818 1.00 52.41 H new ATOM 37 N LEU A 3 -1.622 -35.364 0.626 1.00 52.21 N ATOM 38 CA LEU A 3 -0.806 -34.296 0.004 1.00 61.20 C ATOM 39 C LEU A 3 -1.705 -33.251 -0.704 1.00 4.42 C ATOM 40 O LEU A 3 -1.264 -32.135 -0.955 1.00 70.15 O ATOM 41 CB LEU A 3 0.233 -34.893 -1.001 1.00 53.23 C ATOM 42 CG LEU A 3 1.523 -35.564 -0.393 1.00 53.02 C ATOM 43 CD1 LEU A 3 1.200 -36.749 0.550 1.00 45.33 C ATOM 44 CD2 LEU A 3 2.499 -35.999 -1.519 1.00 63.31 C ATOM 0 H LEU A 3 -1.417 -36.296 0.267 1.00 52.21 H new ATOM 0 HA LEU A 3 -0.258 -33.793 0.801 1.00 61.20 H new ATOM 0 HB2 LEU A 3 -0.278 -35.637 -1.612 1.00 53.23 H new ATOM 0 HB3 LEU A 3 0.552 -34.094 -1.671 1.00 53.23 H new ATOM 0 HG LEU A 3 2.010 -34.806 0.221 1.00 53.02 H new ATOM 0 HD11 LEU A 3 2.128 -37.169 0.937 1.00 45.33 H new ATOM 0 HD12 LEU A 3 0.587 -36.397 1.380 1.00 45.33 H new ATOM 0 HD13 LEU A 3 0.657 -37.516 -0.002 1.00 45.33 H new ATOM 0 HD21 LEU A 3 3.382 -36.460 -1.077 1.00 63.31 H new ATOM 0 HD22 LEU A 3 2.004 -36.717 -2.172 1.00 63.31 H new ATOM 0 HD23 LEU A 3 2.797 -35.126 -2.099 1.00 63.31 H new ATOM 56 N ILE A 4 -2.969 -33.642 -0.999 1.00 73.54 N ATOM 57 CA ILE A 4 -3.991 -32.738 -1.575 1.00 31.10 C ATOM 58 C ILE A 4 -4.335 -31.595 -0.587 1.00 3.52 C ATOM 59 O ILE A 4 -4.298 -30.432 -0.964 1.00 61.30 O ATOM 60 CB ILE A 4 -5.309 -33.515 -1.971 1.00 61.31 C ATOM 61 CG1 ILE A 4 -5.006 -34.653 -3.002 1.00 42.11 C ATOM 62 CG2 ILE A 4 -6.406 -32.556 -2.510 1.00 14.12 C ATOM 63 CD1 ILE A 4 -4.414 -34.179 -4.322 1.00 51.13 C ATOM 0 H ILE A 4 -3.307 -34.592 -0.844 1.00 73.54 H new ATOM 0 HA ILE A 4 -3.563 -32.312 -2.482 1.00 31.10 H new ATOM 0 HB ILE A 4 -5.696 -33.975 -1.062 1.00 61.31 H new ATOM 0 HG12 ILE A 4 -4.317 -35.363 -2.545 1.00 42.11 H new ATOM 0 HG13 ILE A 4 -5.930 -35.193 -3.208 1.00 42.11 H new ATOM 0 HG21 ILE A 4 -7.295 -33.130 -2.771 1.00 14.12 H new ATOM 0 HG22 ILE A 4 -6.659 -31.824 -1.743 1.00 14.12 H new ATOM 0 HG23 ILE A 4 -6.035 -32.040 -3.395 1.00 14.12 H new ATOM 0 HD11 ILE A 4 -4.238 -35.037 -4.971 1.00 51.13 H new ATOM 0 HD12 ILE A 4 -5.109 -33.493 -4.807 1.00 51.13 H new ATOM 0 HD13 ILE A 4 -3.470 -33.667 -4.134 1.00 51.13 H new ATOM 75 N GLU A 5 -4.628 -31.955 0.685 1.00 23.33 N ATOM 76 CA GLU A 5 -4.984 -30.978 1.752 1.00 3.35 C ATOM 77 C GLU A 5 -3.872 -29.939 1.958 1.00 30.32 C ATOM 78 O GLU A 5 -4.128 -28.741 1.987 1.00 14.32 O ATOM 79 CB GLU A 5 -5.258 -31.698 3.112 1.00 2.52 C ATOM 80 CG GLU A 5 -6.406 -32.725 3.102 1.00 1.30 C ATOM 81 CD GLU A 5 -7.735 -32.155 2.572 1.00 45.51 C ATOM 82 OE1 GLU A 5 -8.360 -31.329 3.271 1.00 15.15 O ATOM 83 OE2 GLU A 5 -8.163 -32.542 1.461 1.00 25.14 O ATOM 0 H GLU A 5 -4.626 -32.924 1.003 1.00 23.33 H new ATOM 0 HA GLU A 5 -5.891 -30.472 1.420 1.00 3.35 H new ATOM 0 HB2 GLU A 5 -4.345 -32.204 3.425 1.00 2.52 H new ATOM 0 HB3 GLU A 5 -5.478 -30.941 3.865 1.00 2.52 H new ATOM 0 HG2 GLU A 5 -6.115 -33.578 2.488 1.00 1.30 H new ATOM 0 HG3 GLU A 5 -6.558 -33.098 4.115 1.00 1.30 H new ATOM 90 N LEU A 6 -2.634 -30.432 2.064 1.00 62.31 N ATOM 91 CA LEU A 6 -1.445 -29.593 2.305 1.00 44.40 C ATOM 92 C LEU A 6 -1.121 -28.708 1.078 1.00 63.43 C ATOM 93 O LEU A 6 -0.638 -27.585 1.231 1.00 44.30 O ATOM 94 CB LEU A 6 -0.249 -30.510 2.676 1.00 40.02 C ATOM 95 CG LEU A 6 -0.521 -31.550 3.823 1.00 71.12 C ATOM 96 CD1 LEU A 6 0.723 -32.413 4.115 1.00 21.34 C ATOM 97 CD2 LEU A 6 -1.044 -30.861 5.114 1.00 44.03 C ATOM 0 H LEU A 6 -2.423 -31.427 1.986 1.00 62.31 H new ATOM 0 HA LEU A 6 -1.646 -28.914 3.134 1.00 44.40 H new ATOM 0 HB2 LEU A 6 0.060 -31.053 1.783 1.00 40.02 H new ATOM 0 HB3 LEU A 6 0.590 -29.881 2.972 1.00 40.02 H new ATOM 0 HG LEU A 6 -1.307 -32.216 3.468 1.00 71.12 H new ATOM 0 HD11 LEU A 6 0.496 -33.120 4.913 1.00 21.34 H new ATOM 0 HD12 LEU A 6 1.006 -32.960 3.216 1.00 21.34 H new ATOM 0 HD13 LEU A 6 1.548 -31.770 4.423 1.00 21.34 H new ATOM 0 HD21 LEU A 6 -1.220 -31.614 5.883 1.00 44.03 H new ATOM 0 HD22 LEU A 6 -0.303 -30.145 5.470 1.00 44.03 H new ATOM 0 HD23 LEU A 6 -1.976 -30.340 4.896 1.00 44.03 H new ATOM 109 N LEU A 7 -1.414 -29.239 -0.128 1.00 62.55 N ATOM 110 CA LEU A 7 -1.301 -28.505 -1.400 1.00 15.30 C ATOM 111 C LEU A 7 -2.331 -27.352 -1.488 1.00 63.11 C ATOM 112 O LEU A 7 -2.030 -26.288 -2.023 1.00 73.20 O ATOM 113 CB LEU A 7 -1.497 -29.495 -2.574 1.00 13.34 C ATOM 114 CG LEU A 7 -1.284 -28.942 -4.018 1.00 62.41 C ATOM 115 CD1 LEU A 7 0.151 -28.397 -4.211 1.00 61.04 C ATOM 116 CD2 LEU A 7 -1.625 -30.029 -5.066 1.00 61.44 C ATOM 0 H LEU A 7 -1.739 -30.199 -0.244 1.00 62.55 H new ATOM 0 HA LEU A 7 -0.309 -28.056 -1.455 1.00 15.30 H new ATOM 0 HB2 LEU A 7 -0.813 -30.331 -2.428 1.00 13.34 H new ATOM 0 HB3 LEU A 7 -2.509 -29.896 -2.512 1.00 13.34 H new ATOM 0 HG LEU A 7 -1.964 -28.103 -4.165 1.00 62.41 H new ATOM 0 HD11 LEU A 7 0.263 -28.020 -5.228 1.00 61.04 H new ATOM 0 HD12 LEU A 7 0.332 -27.589 -3.502 1.00 61.04 H new ATOM 0 HD13 LEU A 7 0.870 -29.198 -4.039 1.00 61.04 H new ATOM 0 HD21 LEU A 7 -1.472 -29.629 -6.068 1.00 61.44 H new ATOM 0 HD22 LEU A 7 -0.978 -30.893 -4.917 1.00 61.44 H new ATOM 0 HD23 LEU A 7 -2.666 -30.331 -4.951 1.00 61.44 H new ATOM 128 N ILE A 8 -3.550 -27.583 -0.956 1.00 71.44 N ATOM 129 CA ILE A 8 -4.613 -26.579 -0.899 1.00 30.43 C ATOM 130 C ILE A 8 -4.263 -25.452 0.088 1.00 2.30 C ATOM 131 O ILE A 8 -4.353 -24.280 -0.271 1.00 34.31 O ATOM 132 CB ILE A 8 -5.968 -27.270 -0.504 1.00 43.14 C ATOM 133 CG1 ILE A 8 -6.440 -28.238 -1.639 1.00 32.45 C ATOM 134 CG2 ILE A 8 -7.065 -26.241 -0.152 1.00 35.32 C ATOM 135 CD1 ILE A 8 -7.560 -29.177 -1.246 1.00 44.10 C ATOM 0 H ILE A 8 -3.818 -28.481 -0.553 1.00 71.44 H new ATOM 0 HA ILE A 8 -4.719 -26.125 -1.884 1.00 30.43 H new ATOM 0 HB ILE A 8 -5.788 -27.856 0.397 1.00 43.14 H new ATOM 0 HG12 ILE A 8 -6.766 -27.643 -2.492 1.00 32.45 H new ATOM 0 HG13 ILE A 8 -5.587 -28.830 -1.970 1.00 32.45 H new ATOM 0 HG21 ILE A 8 -7.983 -26.765 0.114 1.00 35.32 H new ATOM 0 HG22 ILE A 8 -6.736 -25.633 0.691 1.00 35.32 H new ATOM 0 HG23 ILE A 8 -7.251 -25.598 -1.013 1.00 35.32 H new ATOM 0 HD11 ILE A 8 -7.820 -29.809 -2.095 1.00 44.10 H new ATOM 0 HD12 ILE A 8 -7.235 -29.802 -0.414 1.00 44.10 H new ATOM 0 HD13 ILE A 8 -8.432 -28.597 -0.945 1.00 44.10 H new ATOM 147 N VAL A 9 -3.861 -25.820 1.325 1.00 0.11 N ATOM 148 CA VAL A 9 -3.482 -24.856 2.365 1.00 13.43 C ATOM 149 C VAL A 9 -2.282 -23.977 1.916 1.00 1.54 C ATOM 150 O VAL A 9 -2.296 -22.759 2.117 1.00 12.34 O ATOM 151 CB VAL A 9 -3.160 -25.594 3.725 1.00 70.05 C ATOM 152 CG1 VAL A 9 -2.732 -24.600 4.824 1.00 22.13 C ATOM 153 CG2 VAL A 9 -4.367 -26.445 4.196 1.00 40.12 C ATOM 0 H VAL A 9 -3.793 -26.793 1.623 1.00 0.11 H new ATOM 0 HA VAL A 9 -4.333 -24.195 2.527 1.00 13.43 H new ATOM 0 HB VAL A 9 -2.320 -26.264 3.539 1.00 70.05 H new ATOM 0 HG11 VAL A 9 -2.519 -25.144 5.744 1.00 22.13 H new ATOM 0 HG12 VAL A 9 -1.838 -24.066 4.503 1.00 22.13 H new ATOM 0 HG13 VAL A 9 -3.536 -23.887 5.003 1.00 22.13 H new ATOM 0 HG21 VAL A 9 -4.118 -26.942 5.134 1.00 40.12 H new ATOM 0 HG22 VAL A 9 -5.232 -25.798 4.346 1.00 40.12 H new ATOM 0 HG23 VAL A 9 -4.601 -27.194 3.440 1.00 40.12 H new ATOM 163 N VAL A 10 -1.259 -24.593 1.287 1.00 0.00 N ATOM 164 CA VAL A 10 -0.095 -23.853 0.769 1.00 62.13 C ATOM 165 C VAL A 10 -0.477 -22.965 -0.447 1.00 42.31 C ATOM 166 O VAL A 10 0.106 -21.891 -0.634 1.00 61.01 O ATOM 167 CB VAL A 10 1.104 -24.831 0.414 1.00 73.32 C ATOM 168 CG1 VAL A 10 0.955 -25.514 -0.968 1.00 12.02 C ATOM 169 CG2 VAL A 10 2.456 -24.112 0.549 1.00 62.41 C ATOM 0 H VAL A 10 -1.218 -25.600 1.127 1.00 0.00 H new ATOM 0 HA VAL A 10 0.246 -23.189 1.564 1.00 62.13 H new ATOM 0 HB VAL A 10 1.069 -25.639 1.144 1.00 73.32 H new ATOM 0 HG11 VAL A 10 1.809 -26.168 -1.145 1.00 12.02 H new ATOM 0 HG12 VAL A 10 0.038 -26.103 -0.986 1.00 12.02 H new ATOM 0 HG13 VAL A 10 0.913 -24.753 -1.747 1.00 12.02 H new ATOM 0 HG21 VAL A 10 3.262 -24.803 0.301 1.00 62.41 H new ATOM 0 HG22 VAL A 10 2.485 -23.261 -0.131 1.00 62.41 H new ATOM 0 HG23 VAL A 10 2.581 -23.762 1.574 1.00 62.41 H new ATOM 179 N ALA A 11 -1.479 -23.416 -1.253 1.00 1.02 N ATOM 180 CA ALA A 11 -1.961 -22.672 -2.438 1.00 25.23 C ATOM 181 C ALA A 11 -2.685 -21.374 -2.025 1.00 53.32 C ATOM 182 O ALA A 11 -2.269 -20.284 -2.425 1.00 3.11 O ATOM 183 CB ALA A 11 -2.882 -23.557 -3.304 1.00 31.30 C ATOM 0 H ALA A 11 -1.967 -24.298 -1.096 1.00 1.02 H new ATOM 0 HA ALA A 11 -1.091 -22.396 -3.034 1.00 25.23 H new ATOM 0 HB1 ALA A 11 -3.224 -22.989 -4.169 1.00 31.30 H new ATOM 0 HB2 ALA A 11 -2.331 -24.435 -3.641 1.00 31.30 H new ATOM 0 HB3 ALA A 11 -3.742 -23.873 -2.714 1.00 31.30 H new ATOM 189 N ILE A 12 -3.748 -21.508 -1.194 1.00 63.52 N ATOM 190 CA ILE A 12 -4.581 -20.375 -0.735 1.00 41.22 C ATOM 191 C ILE A 12 -3.753 -19.325 0.056 1.00 71.41 C ATOM 192 O ILE A 12 -3.841 -18.139 -0.250 1.00 73.12 O ATOM 193 CB ILE A 12 -5.835 -20.866 0.098 1.00 64.05 C ATOM 194 CG1 ILE A 12 -5.407 -21.736 1.324 1.00 3.20 C ATOM 195 CG2 ILE A 12 -6.835 -21.631 -0.812 1.00 23.21 C ATOM 196 CD1 ILE A 12 -6.542 -22.290 2.169 1.00 52.43 C ATOM 0 H ILE A 12 -4.050 -22.409 -0.824 1.00 63.52 H new ATOM 0 HA ILE A 12 -4.957 -19.881 -1.631 1.00 41.22 H new ATOM 0 HB ILE A 12 -6.339 -19.983 0.489 1.00 64.05 H new ATOM 0 HG12 ILE A 12 -4.808 -22.571 0.962 1.00 3.20 H new ATOM 0 HG13 ILE A 12 -4.762 -21.135 1.965 1.00 3.20 H new ATOM 0 HG21 ILE A 12 -7.689 -21.959 -0.219 1.00 23.21 H new ATOM 0 HG22 ILE A 12 -7.179 -20.972 -1.609 1.00 23.21 H new ATOM 0 HG23 ILE A 12 -6.340 -22.499 -1.247 1.00 23.21 H new ATOM 0 HD11 ILE A 12 -6.131 -22.877 2.990 1.00 52.43 H new ATOM 0 HD12 ILE A 12 -7.132 -21.466 2.571 1.00 52.43 H new ATOM 0 HD13 ILE A 12 -7.178 -22.925 1.552 1.00 52.43 H new ATOM 208 N ILE A 13 -2.905 -19.781 1.028 1.00 44.21 N ATOM 209 CA ILE A 13 -1.971 -18.904 1.789 1.00 12.20 C ATOM 210 C ILE A 13 -0.947 -18.244 0.828 1.00 52.25 C ATOM 211 O ILE A 13 -0.570 -17.071 1.013 1.00 41.24 O ATOM 212 CB ILE A 13 -1.238 -19.718 2.961 1.00 24.23 C ATOM 213 CG1 ILE A 13 -2.105 -19.765 4.272 1.00 4.34 C ATOM 214 CG2 ILE A 13 0.185 -19.189 3.278 1.00 25.41 C ATOM 215 CD1 ILE A 13 -3.426 -20.502 4.166 1.00 22.44 C ATOM 0 H ILE A 13 -2.853 -20.762 1.301 1.00 44.21 H new ATOM 0 HA ILE A 13 -2.551 -18.111 2.261 1.00 12.20 H new ATOM 0 HB ILE A 13 -1.125 -20.733 2.580 1.00 24.23 H new ATOM 0 HG12 ILE A 13 -1.513 -20.231 5.060 1.00 4.34 H new ATOM 0 HG13 ILE A 13 -2.306 -18.742 4.588 1.00 4.34 H new ATOM 0 HG21 ILE A 13 0.624 -19.783 4.079 1.00 25.41 H new ATOM 0 HG22 ILE A 13 0.808 -19.265 2.387 1.00 25.41 H new ATOM 0 HG23 ILE A 13 0.124 -18.147 3.591 1.00 25.41 H new ATOM 0 HD11 ILE A 13 -3.938 -20.471 5.128 1.00 22.44 H new ATOM 0 HD12 ILE A 13 -4.048 -20.026 3.408 1.00 22.44 H new ATOM 0 HD13 ILE A 13 -3.242 -21.539 3.886 1.00 22.44 H new ATOM 227 N GLY A 14 -0.544 -19.010 -0.210 1.00 15.13 N ATOM 228 CA GLY A 14 0.355 -18.514 -1.253 1.00 61.43 C ATOM 229 C GLY A 14 -0.232 -17.341 -2.043 1.00 61.14 C ATOM 230 O GLY A 14 0.480 -16.383 -2.347 1.00 71.31 O ATOM 0 H GLY A 14 -0.834 -19.979 -0.340 1.00 15.13 H new ATOM 0 HA2 GLY A 14 1.295 -18.203 -0.797 1.00 61.43 H new ATOM 0 HA3 GLY A 14 0.588 -19.327 -1.940 1.00 61.43 H new ATOM 234 N ILE A 15 -1.551 -17.409 -2.344 1.00 30.30 N ATOM 235 CA ILE A 15 -2.286 -16.331 -3.037 1.00 62.31 C ATOM 236 C ILE A 15 -2.442 -15.091 -2.128 1.00 62.34 C ATOM 237 O ILE A 15 -2.279 -13.966 -2.596 1.00 25.15 O ATOM 238 CB ILE A 15 -3.693 -16.863 -3.502 1.00 1.24 C ATOM 239 CG1 ILE A 15 -3.515 -18.100 -4.458 1.00 42.41 C ATOM 240 CG2 ILE A 15 -4.545 -15.748 -4.176 1.00 3.11 C ATOM 241 CD1 ILE A 15 -4.676 -19.074 -4.439 1.00 14.22 C ATOM 0 H ILE A 15 -2.133 -18.214 -2.112 1.00 30.30 H new ATOM 0 HA ILE A 15 -1.714 -16.026 -3.913 1.00 62.31 H new ATOM 0 HB ILE A 15 -4.240 -17.182 -2.615 1.00 1.24 H new ATOM 0 HG12 ILE A 15 -3.375 -17.740 -5.477 1.00 42.41 H new ATOM 0 HG13 ILE A 15 -2.605 -18.632 -4.180 1.00 42.41 H new ATOM 0 HG21 ILE A 15 -5.507 -16.160 -4.481 1.00 3.11 H new ATOM 0 HG22 ILE A 15 -4.706 -14.935 -3.468 1.00 3.11 H new ATOM 0 HG23 ILE A 15 -4.019 -15.368 -5.052 1.00 3.11 H new ATOM 0 HD11 ILE A 15 -4.472 -19.896 -5.125 1.00 14.22 H new ATOM 0 HD12 ILE A 15 -4.805 -19.467 -3.430 1.00 14.22 H new ATOM 0 HD13 ILE A 15 -5.587 -18.561 -4.748 1.00 14.22 H new ATOM 253 N LEU A 16 -2.728 -15.321 -0.819 1.00 24.33 N ATOM 254 CA LEU A 16 -2.879 -14.233 0.186 1.00 31.14 C ATOM 255 C LEU A 16 -1.602 -13.366 0.267 1.00 30.00 C ATOM 256 O LEU A 16 -1.682 -12.147 0.376 1.00 74.14 O ATOM 257 CB LEU A 16 -3.194 -14.795 1.614 1.00 2.42 C ATOM 258 CG LEU A 16 -4.342 -15.855 1.742 1.00 62.22 C ATOM 259 CD1 LEU A 16 -4.666 -16.189 3.219 1.00 1.41 C ATOM 260 CD2 LEU A 16 -5.607 -15.451 0.953 1.00 61.03 C ATOM 0 H LEU A 16 -2.859 -16.256 -0.433 1.00 24.33 H new ATOM 0 HA LEU A 16 -3.718 -13.623 -0.148 1.00 31.14 H new ATOM 0 HB2 LEU A 16 -2.281 -15.240 2.008 1.00 2.42 H new ATOM 0 HB3 LEU A 16 -3.442 -13.952 2.259 1.00 2.42 H new ATOM 0 HG LEU A 16 -3.967 -16.770 1.284 1.00 62.22 H new ATOM 0 HD11 LEU A 16 -5.467 -16.927 3.258 1.00 1.41 H new ATOM 0 HD12 LEU A 16 -3.777 -16.592 3.704 1.00 1.41 H new ATOM 0 HD13 LEU A 16 -4.982 -15.283 3.736 1.00 1.41 H new ATOM 0 HD21 LEU A 16 -6.372 -16.218 1.074 1.00 61.03 H new ATOM 0 HD22 LEU A 16 -5.983 -14.500 1.331 1.00 61.03 H new ATOM 0 HD23 LEU A 16 -5.360 -15.349 -0.104 1.00 61.03 H new ATOM 272 N ALA A 17 -0.435 -14.030 0.198 1.00 65.01 N ATOM 273 CA ALA A 17 0.885 -13.363 0.239 1.00 53.33 C ATOM 274 C ALA A 17 1.226 -12.700 -1.114 1.00 34.25 C ATOM 275 O ALA A 17 1.589 -11.522 -1.176 1.00 53.12 O ATOM 276 CB ALA A 17 1.966 -14.383 0.630 1.00 20.31 C ATOM 0 H ALA A 17 -0.377 -15.045 0.112 1.00 65.01 H new ATOM 0 HA ALA A 17 0.848 -12.572 0.988 1.00 53.33 H new ATOM 0 HB1 ALA A 17 2.938 -13.890 0.660 1.00 20.31 H new ATOM 0 HB2 ALA A 17 1.738 -14.796 1.613 1.00 20.31 H new ATOM 0 HB3 ALA A 17 1.990 -15.188 -0.105 1.00 20.31 H new ATOM 282 N ALA A 18 1.065 -13.473 -2.192 1.00 61.02 N ATOM 283 CA ALA A 18 1.406 -13.057 -3.574 1.00 0.32 C ATOM 284 C ALA A 18 0.632 -11.801 -4.043 1.00 15.11 C ATOM 285 O ALA A 18 1.106 -11.095 -4.935 1.00 41.43 O ATOM 286 CB ALA A 18 1.175 -14.222 -4.552 1.00 71.14 C ATOM 0 H ALA A 18 0.690 -14.420 -2.139 1.00 61.02 H new ATOM 0 HA ALA A 18 2.462 -12.785 -3.566 1.00 0.32 H new ATOM 0 HB1 ALA A 18 1.429 -13.904 -5.563 1.00 71.14 H new ATOM 0 HB2 ALA A 18 1.804 -15.066 -4.268 1.00 71.14 H new ATOM 0 HB3 ALA A 18 0.128 -14.523 -4.519 1.00 71.14 H new ATOM 292 N ILE A 19 -0.569 -11.548 -3.474 1.00 2.22 N ATOM 293 CA ILE A 19 -1.292 -10.269 -3.701 1.00 21.10 C ATOM 294 C ILE A 19 -0.860 -9.182 -2.695 1.00 74.11 C ATOM 295 O ILE A 19 -0.691 -8.027 -3.072 1.00 43.14 O ATOM 296 CB ILE A 19 -2.865 -10.436 -3.730 1.00 62.12 C ATOM 297 CG1 ILE A 19 -3.452 -11.093 -2.426 1.00 31.24 C ATOM 298 CG2 ILE A 19 -3.307 -11.212 -4.996 1.00 33.41 C ATOM 299 CD1 ILE A 19 -3.794 -10.116 -1.321 1.00 11.20 C ATOM 0 H ILE A 19 -1.056 -12.202 -2.861 1.00 2.22 H new ATOM 0 HA ILE A 19 -1.003 -9.938 -4.698 1.00 21.10 H new ATOM 0 HB ILE A 19 -3.281 -9.429 -3.767 1.00 62.12 H new ATOM 0 HG12 ILE A 19 -4.351 -11.650 -2.690 1.00 31.24 H new ATOM 0 HG13 ILE A 19 -2.730 -11.815 -2.043 1.00 31.24 H new ATOM 0 HG21 ILE A 19 -4.392 -11.317 -4.998 1.00 33.41 H new ATOM 0 HG22 ILE A 19 -2.993 -10.666 -5.886 1.00 33.41 H new ATOM 0 HG23 ILE A 19 -2.847 -12.200 -4.996 1.00 33.41 H new ATOM 0 HD11 ILE A 19 -4.191 -10.660 -0.464 1.00 11.20 H new ATOM 0 HD12 ILE A 19 -2.896 -9.575 -1.023 1.00 11.20 H new ATOM 0 HD13 ILE A 19 -4.542 -9.408 -1.679 1.00 11.20 H new ATOM 311 N ALA A 20 -0.633 -9.582 -1.437 1.00 51.01 N ATOM 312 CA ALA A 20 -0.417 -8.651 -0.310 1.00 33.12 C ATOM 313 C ALA A 20 0.863 -7.832 -0.456 1.00 33.45 C ATOM 314 O ALA A 20 0.797 -6.613 -0.464 1.00 72.20 O ATOM 315 CB ALA A 20 -0.423 -9.421 1.014 1.00 24.43 C ATOM 0 H ALA A 20 -0.593 -10.565 -1.166 1.00 51.01 H new ATOM 0 HA ALA A 20 -1.241 -7.937 -0.317 1.00 33.12 H new ATOM 0 HB1 ALA A 20 -0.263 -8.727 1.839 1.00 24.43 H new ATOM 0 HB2 ALA A 20 -1.384 -9.920 1.140 1.00 24.43 H new ATOM 0 HB3 ALA A 20 0.374 -10.165 1.006 1.00 24.43 H new ATOM 321 N ILE A 21 2.011 -8.519 -0.593 1.00 52.21 N ATOM 322 CA ILE A 21 3.348 -7.875 -0.605 1.00 31.31 C ATOM 323 C ILE A 21 3.514 -6.813 -1.751 1.00 54.22 C ATOM 324 O ILE A 21 3.933 -5.694 -1.460 1.00 61.12 O ATOM 325 CB ILE A 21 4.527 -8.948 -0.625 1.00 11.31 C ATOM 326 CG1 ILE A 21 4.649 -9.701 0.751 1.00 71.15 C ATOM 327 CG2 ILE A 21 5.879 -8.310 -1.036 1.00 34.12 C ATOM 328 CD1 ILE A 21 3.541 -10.697 1.061 1.00 24.01 C ATOM 0 H ILE A 21 2.044 -9.533 -0.699 1.00 52.21 H new ATOM 0 HA ILE A 21 3.419 -7.324 0.333 1.00 31.31 H new ATOM 0 HB ILE A 21 4.271 -9.687 -1.384 1.00 11.31 H new ATOM 0 HG12 ILE A 21 5.602 -10.229 0.772 1.00 71.15 H new ATOM 0 HG13 ILE A 21 4.678 -8.959 1.549 1.00 71.15 H new ATOM 0 HG21 ILE A 21 6.656 -9.074 -1.037 1.00 34.12 H new ATOM 0 HG22 ILE A 21 5.790 -7.881 -2.034 1.00 34.12 H new ATOM 0 HG23 ILE A 21 6.142 -7.526 -0.326 1.00 34.12 H new ATOM 0 HD11 ILE A 21 3.726 -11.156 2.032 1.00 24.01 H new ATOM 0 HD12 ILE A 21 2.582 -10.180 1.081 1.00 24.01 H new ATOM 0 HD13 ILE A 21 3.520 -11.469 0.292 1.00 24.01 H new ATOM 340 N PRO A 22 3.205 -7.120 -3.063 1.00 53.33 N ATOM 341 CA PRO A 22 3.283 -6.096 -4.149 1.00 0.52 C ATOM 342 C PRO A 22 2.245 -4.954 -3.993 1.00 63.05 C ATOM 343 O PRO A 22 2.533 -3.797 -4.317 1.00 11.10 O ATOM 344 CB PRO A 22 3.005 -6.903 -5.431 1.00 62.24 C ATOM 345 CG PRO A 22 2.248 -8.110 -4.969 1.00 3.45 C ATOM 346 CD PRO A 22 2.804 -8.448 -3.609 1.00 11.44 C ATOM 0 HA PRO A 22 4.248 -5.590 -4.143 1.00 0.52 H new ATOM 0 HB2 PRO A 22 2.423 -6.321 -6.146 1.00 62.24 H new ATOM 0 HB3 PRO A 22 3.932 -7.185 -5.929 1.00 62.24 H new ATOM 0 HG2 PRO A 22 1.179 -7.904 -4.914 1.00 3.45 H new ATOM 0 HG3 PRO A 22 2.377 -8.941 -5.662 1.00 3.45 H new ATOM 0 HD2 PRO A 22 2.059 -8.934 -2.979 1.00 11.44 H new ATOM 0 HD3 PRO A 22 3.654 -9.127 -3.679 1.00 11.44 H new ATOM 354 N GLN A 23 1.041 -5.311 -3.512 1.00 35.35 N ATOM 355 CA GLN A 23 -0.059 -4.335 -3.278 1.00 62.22 C ATOM 356 C GLN A 23 0.346 -3.349 -2.162 1.00 61.20 C ATOM 357 O GLN A 23 0.063 -2.153 -2.227 1.00 21.31 O ATOM 358 CB GLN A 23 -1.363 -5.081 -2.880 1.00 33.33 C ATOM 359 CG GLN A 23 -2.594 -4.174 -2.639 1.00 61.53 C ATOM 360 CD GLN A 23 -3.787 -4.928 -2.036 1.00 54.14 C ATOM 361 OE1 GLN A 23 -4.651 -5.430 -2.746 1.00 5.42 O ATOM 362 NE2 GLN A 23 -3.844 -5.008 -0.722 1.00 2.44 N ATOM 0 H GLN A 23 0.796 -6.272 -3.274 1.00 35.35 H new ATOM 0 HA GLN A 23 -0.240 -3.779 -4.198 1.00 62.22 H new ATOM 0 HB2 GLN A 23 -1.607 -5.797 -3.665 1.00 33.33 H new ATOM 0 HB3 GLN A 23 -1.172 -5.655 -1.973 1.00 33.33 H new ATOM 0 HG2 GLN A 23 -2.312 -3.359 -1.973 1.00 61.53 H new ATOM 0 HG3 GLN A 23 -2.897 -3.723 -3.584 1.00 61.53 H new ATOM 0 HE21 GLN A 23 -3.113 -4.582 -0.153 1.00 2.44 H new ATOM 0 HE22 GLN A 23 -4.620 -5.496 -0.274 1.00 2.44 H new ATOM 371 N PHE A 24 1.057 -3.906 -1.176 1.00 32.02 N ATOM 372 CA PHE A 24 1.533 -3.192 0.035 1.00 72.24 C ATOM 373 C PHE A 24 2.742 -2.302 -0.299 1.00 15.10 C ATOM 374 O PHE A 24 2.860 -1.191 0.212 1.00 41.53 O ATOM 375 CB PHE A 24 1.917 -4.236 1.105 1.00 22.40 C ATOM 376 CG PHE A 24 2.298 -3.700 2.491 1.00 62.02 C ATOM 377 CD1 PHE A 24 1.313 -3.434 3.447 1.00 62.40 C ATOM 378 CD2 PHE A 24 3.636 -3.495 2.852 1.00 63.22 C ATOM 379 CE1 PHE A 24 1.650 -2.982 4.710 1.00 11.33 C ATOM 380 CE2 PHE A 24 3.968 -3.038 4.113 1.00 23.35 C ATOM 381 CZ PHE A 24 2.976 -2.784 5.044 1.00 55.23 C ATOM 0 H PHE A 24 1.329 -4.889 -1.189 1.00 32.02 H new ATOM 0 HA PHE A 24 0.739 -2.548 0.413 1.00 72.24 H new ATOM 0 HB2 PHE A 24 1.079 -4.923 1.225 1.00 22.40 H new ATOM 0 HB3 PHE A 24 2.755 -4.819 0.724 1.00 22.40 H new ATOM 0 HD1 PHE A 24 0.273 -3.584 3.195 1.00 62.40 H new ATOM 0 HD2 PHE A 24 4.418 -3.697 2.135 1.00 63.22 H new ATOM 0 HE1 PHE A 24 0.876 -2.784 5.436 1.00 11.33 H new ATOM 0 HE2 PHE A 24 5.004 -2.879 4.373 1.00 23.35 H new ATOM 0 HZ PHE A 24 3.238 -2.431 6.031 1.00 55.23 H new ATOM 391 N SER A 25 3.639 -2.833 -1.155 1.00 72.21 N ATOM 392 CA SER A 25 4.795 -2.090 -1.699 1.00 22.34 C ATOM 393 C SER A 25 4.324 -0.833 -2.454 1.00 75.05 C ATOM 394 O SER A 25 4.762 0.273 -2.154 1.00 51.41 O ATOM 395 CB SER A 25 5.633 -3.001 -2.636 1.00 1.14 C ATOM 396 OG SER A 25 6.734 -2.304 -3.203 1.00 41.01 O ATOM 0 H SER A 25 3.582 -3.795 -1.490 1.00 72.21 H new ATOM 0 HA SER A 25 5.424 -1.776 -0.866 1.00 22.34 H new ATOM 0 HB2 SER A 25 5.997 -3.862 -2.075 1.00 1.14 H new ATOM 0 HB3 SER A 25 4.997 -3.386 -3.433 1.00 1.14 H new ATOM 0 HG SER A 25 7.239 -2.909 -3.785 1.00 41.01 H new ATOM 402 N ALA A 26 3.387 -1.030 -3.395 1.00 22.24 N ATOM 403 CA ALA A 26 2.760 0.066 -4.174 1.00 21.55 C ATOM 404 C ALA A 26 1.937 1.029 -3.277 1.00 15.41 C ATOM 405 O ALA A 26 1.820 2.220 -3.585 1.00 1.13 O ATOM 406 CB ALA A 26 1.873 -0.528 -5.284 1.00 72.23 C ATOM 0 H ALA A 26 3.037 -1.955 -3.643 1.00 22.24 H new ATOM 0 HA ALA A 26 3.560 0.656 -4.621 1.00 21.55 H new ATOM 0 HB1 ALA A 26 1.414 0.280 -5.854 1.00 72.23 H new ATOM 0 HB2 ALA A 26 2.483 -1.140 -5.948 1.00 72.23 H new ATOM 0 HB3 ALA A 26 1.094 -1.144 -4.836 1.00 72.23 H new ATOM 412 N TYR A 27 1.400 0.499 -2.153 1.00 5.41 N ATOM 413 CA TYR A 27 0.526 1.268 -1.232 1.00 3.11 C ATOM 414 C TYR A 27 1.341 2.246 -0.369 1.00 73.15 C ATOM 415 O TYR A 27 0.967 3.407 -0.205 1.00 53.32 O ATOM 416 CB TYR A 27 -0.232 0.292 -0.314 1.00 45.43 C ATOM 417 CG TYR A 27 -1.370 0.927 0.499 1.00 50.13 C ATOM 418 CD1 TYR A 27 -2.551 1.336 -0.128 1.00 71.53 C ATOM 419 CD2 TYR A 27 -1.282 1.111 1.883 1.00 43.23 C ATOM 420 CE1 TYR A 27 -3.591 1.897 0.587 1.00 72.05 C ATOM 421 CE2 TYR A 27 -2.324 1.677 2.601 1.00 54.42 C ATOM 422 CZ TYR A 27 -3.474 2.067 1.947 1.00 74.13 C ATOM 423 OH TYR A 27 -4.515 2.623 2.655 1.00 22.42 O ATOM 0 H TYR A 27 1.558 -0.465 -1.860 1.00 5.41 H new ATOM 0 HA TYR A 27 -0.175 1.846 -1.833 1.00 3.11 H new ATOM 0 HB2 TYR A 27 -0.644 -0.512 -0.923 1.00 45.43 H new ATOM 0 HB3 TYR A 27 0.479 -0.163 0.376 1.00 45.43 H new ATOM 0 HD1 TYR A 27 -2.652 1.210 -1.196 1.00 71.53 H new ATOM 0 HD2 TYR A 27 -0.385 0.806 2.402 1.00 43.23 H new ATOM 0 HE1 TYR A 27 -4.494 2.202 0.079 1.00 72.05 H new ATOM 0 HE2 TYR A 27 -2.236 1.812 3.669 1.00 54.42 H new ATOM 0 HH TYR A 27 -4.275 2.673 3.604 1.00 22.42 H new ATOM 433 N ARG A 28 2.450 1.737 0.186 1.00 11.42 N ATOM 434 CA ARG A 28 3.354 2.514 1.053 1.00 2.30 C ATOM 435 C ARG A 28 4.186 3.510 0.232 1.00 62.30 C ATOM 436 O ARG A 28 4.643 4.530 0.759 1.00 40.11 O ATOM 437 CB ARG A 28 4.262 1.561 1.876 1.00 34.22 C ATOM 438 CG ARG A 28 5.299 0.757 1.060 1.00 15.24 C ATOM 439 CD ARG A 28 6.083 -0.235 1.935 1.00 52.53 C ATOM 440 NE ARG A 28 6.783 0.446 3.036 1.00 54.35 N ATOM 441 CZ ARG A 28 7.108 -0.090 4.194 1.00 12.22 C ATOM 442 NH1 ARG A 28 6.796 -1.313 4.490 1.00 30.10 N ATOM 443 NH2 ARG A 28 7.748 0.615 5.057 1.00 0.43 N ATOM 0 H ARG A 28 2.748 0.772 0.047 1.00 11.42 H new ATOM 0 HA ARG A 28 2.750 3.094 1.751 1.00 2.30 H new ATOM 0 HB2 ARG A 28 4.793 2.150 2.624 1.00 34.22 H new ATOM 0 HB3 ARG A 28 3.627 0.858 2.415 1.00 34.22 H new ATOM 0 HG2 ARG A 28 4.790 0.213 0.264 1.00 15.24 H new ATOM 0 HG3 ARG A 28 5.995 1.446 0.581 1.00 15.24 H new ATOM 0 HD2 ARG A 28 5.399 -0.979 2.343 1.00 52.53 H new ATOM 0 HD3 ARG A 28 6.806 -0.770 1.320 1.00 52.53 H new ATOM 0 HE ARG A 28 7.040 1.422 2.889 1.00 54.35 H new ATOM 0 HH11 ARG A 28 6.286 -1.886 3.818 1.00 30.10 H new ATOM 0 HH12 ARG A 28 7.061 -1.702 5.395 1.00 30.10 H new ATOM 0 HH21 ARG A 28 7.999 1.580 4.842 1.00 0.43 H new ATOM 0 HH22 ARG A 28 8.005 0.210 5.957 1.00 0.43 H new ATOM 457 N VAL A 29 4.356 3.207 -1.074 1.00 11.12 N ATOM 458 CA VAL A 29 4.967 4.155 -2.024 1.00 41.45 C ATOM 459 C VAL A 29 4.012 5.333 -2.253 1.00 41.01 C ATOM 460 O VAL A 29 4.349 6.464 -1.944 1.00 21.01 O ATOM 461 CB VAL A 29 5.386 3.470 -3.386 1.00 1.14 C ATOM 462 CG1 VAL A 29 5.673 4.501 -4.517 1.00 52.20 C ATOM 463 CG2 VAL A 29 6.613 2.553 -3.171 1.00 51.41 C ATOM 0 H VAL A 29 4.079 2.318 -1.490 1.00 11.12 H new ATOM 0 HA VAL A 29 5.893 4.525 -1.584 1.00 41.45 H new ATOM 0 HB VAL A 29 4.536 2.871 -3.713 1.00 1.14 H new ATOM 0 HG11 VAL A 29 5.956 3.973 -5.428 1.00 52.20 H new ATOM 0 HG12 VAL A 29 4.778 5.094 -4.705 1.00 52.20 H new ATOM 0 HG13 VAL A 29 6.487 5.159 -4.212 1.00 52.20 H new ATOM 0 HG21 VAL A 29 6.890 2.088 -4.117 1.00 51.41 H new ATOM 0 HG22 VAL A 29 7.449 3.145 -2.799 1.00 51.41 H new ATOM 0 HG23 VAL A 29 6.366 1.778 -2.445 1.00 51.41 H new ATOM 473 N LYS A 30 2.796 5.054 -2.730 1.00 54.41 N ATOM 474 CA LYS A 30 1.789 6.111 -3.009 1.00 61.15 C ATOM 475 C LYS A 30 1.313 6.829 -1.712 1.00 62.13 C ATOM 476 O LYS A 30 0.734 7.909 -1.778 1.00 41.44 O ATOM 477 CB LYS A 30 0.575 5.532 -3.772 1.00 63.52 C ATOM 478 CG LYS A 30 -0.378 4.688 -2.905 1.00 4.25 C ATOM 479 CD LYS A 30 -1.532 4.042 -3.705 1.00 14.11 C ATOM 480 CE LYS A 30 -2.460 5.080 -4.371 1.00 4.23 C ATOM 481 NZ LYS A 30 -3.588 4.438 -5.101 1.00 44.25 N ATOM 0 H LYS A 30 2.474 4.108 -2.935 1.00 54.41 H new ATOM 0 HA LYS A 30 2.281 6.854 -3.637 1.00 61.15 H new ATOM 0 HB2 LYS A 30 0.012 6.355 -4.213 1.00 63.52 H new ATOM 0 HB3 LYS A 30 0.938 4.917 -4.595 1.00 63.52 H new ATOM 0 HG2 LYS A 30 0.194 3.903 -2.410 1.00 4.25 H new ATOM 0 HG3 LYS A 30 -0.798 5.319 -2.122 1.00 4.25 H new ATOM 0 HD2 LYS A 30 -1.114 3.391 -4.473 1.00 14.11 H new ATOM 0 HD3 LYS A 30 -2.121 3.412 -3.038 1.00 14.11 H new ATOM 0 HE2 LYS A 30 -2.857 5.751 -3.610 1.00 4.23 H new ATOM 0 HE3 LYS A 30 -1.881 5.691 -5.064 1.00 4.23 H new ATOM 0 HZ1 LYS A 30 -4.185 5.172 -5.532 1.00 44.25 H new ATOM 0 HZ2 LYS A 30 -3.211 3.817 -5.845 1.00 44.25 H new ATOM 0 HZ3 LYS A 30 -4.157 3.876 -4.436 1.00 44.25 H new ATOM 495 N ALA A 31 1.552 6.223 -0.536 1.00 3.13 N ATOM 496 CA ALA A 31 1.285 6.893 0.755 1.00 44.42 C ATOM 497 C ALA A 31 2.347 7.988 1.003 1.00 73.22 C ATOM 498 O ALA A 31 2.022 9.141 1.317 1.00 40.31 O ATOM 499 CB ALA A 31 1.279 5.866 1.898 1.00 52.34 C ATOM 0 H ALA A 31 1.926 5.278 -0.449 1.00 3.13 H new ATOM 0 HA ALA A 31 0.302 7.363 0.719 1.00 44.42 H new ATOM 0 HB1 ALA A 31 1.081 6.374 2.842 1.00 52.34 H new ATOM 0 HB2 ALA A 31 0.502 5.123 1.716 1.00 52.34 H new ATOM 0 HB3 ALA A 31 2.249 5.372 1.948 1.00 52.34 H new ATOM 505 N TYR A 32 3.617 7.617 0.772 1.00 12.43 N ATOM 506 CA TYR A 32 4.791 8.477 1.082 1.00 55.43 C ATOM 507 C TYR A 32 5.170 9.396 -0.101 1.00 52.14 C ATOM 508 O TYR A 32 6.008 10.302 0.024 1.00 31.11 O ATOM 509 CB TYR A 32 5.987 7.584 1.501 1.00 25.14 C ATOM 510 CG TYR A 32 7.035 8.318 2.361 1.00 42.53 C ATOM 511 CD1 TYR A 32 6.811 8.530 3.726 1.00 14.54 C ATOM 512 CD2 TYR A 32 8.217 8.828 1.811 1.00 14.23 C ATOM 513 CE1 TYR A 32 7.720 9.219 4.500 1.00 20.45 C ATOM 514 CE2 TYR A 32 9.129 9.510 2.586 1.00 1.13 C ATOM 515 CZ TYR A 32 8.875 9.706 3.928 1.00 12.31 C ATOM 516 OH TYR A 32 9.772 10.406 4.702 1.00 75.02 O ATOM 0 H TYR A 32 3.868 6.716 0.366 1.00 12.43 H new ATOM 0 HA TYR A 32 4.523 9.134 1.909 1.00 55.43 H new ATOM 0 HB2 TYR A 32 5.611 6.725 2.057 1.00 25.14 H new ATOM 0 HB3 TYR A 32 6.472 7.197 0.605 1.00 25.14 H new ATOM 0 HD1 TYR A 32 5.910 8.147 4.181 1.00 14.54 H new ATOM 0 HD2 TYR A 32 8.418 8.684 0.760 1.00 14.23 H new ATOM 0 HE1 TYR A 32 7.528 9.377 5.551 1.00 20.45 H new ATOM 0 HE2 TYR A 32 10.039 9.890 2.145 1.00 1.13 H new ATOM 0 HH TYR A 32 10.535 10.681 4.151 1.00 75.02 H new ATOM 526 N ASN A 33 4.552 9.140 -1.244 1.00 4.40 N ATOM 527 CA ASN A 33 4.668 9.996 -2.434 1.00 41.23 C ATOM 528 C ASN A 33 3.432 10.879 -2.579 1.00 71.35 C ATOM 529 O ASN A 33 3.536 12.096 -2.537 1.00 11.42 O ATOM 530 CB ASN A 33 4.896 9.150 -3.709 1.00 63.52 C ATOM 531 CG ASN A 33 6.341 8.658 -3.860 1.00 42.24 C ATOM 532 OD1 ASN A 33 7.172 9.309 -4.482 1.00 51.13 O ATOM 533 ND2 ASN A 33 6.668 7.536 -3.274 1.00 30.30 N ATOM 0 H ASN A 33 3.949 8.329 -1.382 1.00 4.40 H new ATOM 0 HA ASN A 33 5.537 10.641 -2.305 1.00 41.23 H new ATOM 0 HB2 ASN A 33 4.227 8.290 -3.690 1.00 63.52 H new ATOM 0 HB3 ASN A 33 4.628 9.743 -4.583 1.00 63.52 H new ATOM 0 HD21 ASN A 33 7.626 7.191 -3.331 1.00 30.30 H new ATOM 0 HD22 ASN A 33 5.965 7.005 -2.760 1.00 30.30 H new ATOM 540 N SER A 34 2.252 10.252 -2.688 1.00 3.01 N ATOM 541 CA SER A 34 1.009 10.982 -3.088 1.00 71.24 C ATOM 542 C SER A 34 0.350 11.673 -1.887 1.00 70.53 C ATOM 543 O SER A 34 0.077 12.878 -1.936 1.00 43.42 O ATOM 544 CB SER A 34 0.002 10.045 -3.796 1.00 34.01 C ATOM 545 OG SER A 34 -1.178 10.733 -4.181 1.00 30.03 O ATOM 0 H SER A 34 2.118 9.257 -2.511 1.00 3.01 H new ATOM 0 HA SER A 34 1.308 11.753 -3.798 1.00 71.24 H new ATOM 0 HB2 SER A 34 0.471 9.607 -4.677 1.00 34.01 H new ATOM 0 HB3 SER A 34 -0.258 9.222 -3.131 1.00 34.01 H new ATOM 0 HG SER A 34 -1.789 10.110 -4.626 1.00 30.03 H new ATOM 551 N ALA A 35 0.110 10.911 -0.797 1.00 3.44 N ATOM 552 CA ALA A 35 -0.514 11.464 0.433 1.00 60.31 C ATOM 553 C ALA A 35 0.442 12.436 1.153 1.00 0.11 C ATOM 554 O ALA A 35 -0.006 13.409 1.765 1.00 51.11 O ATOM 555 CB ALA A 35 -0.960 10.346 1.388 1.00 23.30 C ATOM 0 H ALA A 35 0.336 9.918 -0.740 1.00 3.44 H new ATOM 0 HA ALA A 35 -1.400 12.019 0.125 1.00 60.31 H new ATOM 0 HB1 ALA A 35 -1.412 10.786 2.277 1.00 23.30 H new ATOM 0 HB2 ALA A 35 -1.689 9.709 0.887 1.00 23.30 H new ATOM 0 HB3 ALA A 35 -0.095 9.749 1.678 1.00 23.30 H new ATOM 561 N ALA A 36 1.764 12.166 1.055 1.00 4.31 N ATOM 562 CA ALA A 36 2.805 13.052 1.618 1.00 3.30 C ATOM 563 C ALA A 36 2.939 14.353 0.794 1.00 62.20 C ATOM 564 O ALA A 36 3.122 15.422 1.361 1.00 23.34 O ATOM 565 CB ALA A 36 4.148 12.321 1.705 1.00 13.23 C ATOM 0 H ALA A 36 2.135 11.338 0.589 1.00 4.31 H new ATOM 0 HA ALA A 36 2.500 13.329 2.627 1.00 3.30 H new ATOM 0 HB1 ALA A 36 4.900 12.991 2.122 1.00 13.23 H new ATOM 0 HB2 ALA A 36 4.045 11.446 2.347 1.00 13.23 H new ATOM 0 HB3 ALA A 36 4.456 12.005 0.708 1.00 13.23 H new ATOM 571 N SER A 37 2.828 14.249 -0.549 1.00 4.42 N ATOM 572 CA SER A 37 2.815 15.442 -1.449 1.00 52.40 C ATOM 573 C SER A 37 1.559 16.303 -1.224 1.00 51.22 C ATOM 574 O SER A 37 1.610 17.524 -1.367 1.00 5.14 O ATOM 575 CB SER A 37 2.890 15.029 -2.935 1.00 53.24 C ATOM 576 OG SER A 37 2.933 16.161 -3.795 1.00 13.21 O ATOM 0 H SER A 37 2.746 13.359 -1.040 1.00 4.42 H new ATOM 0 HA SER A 37 3.698 16.031 -1.200 1.00 52.40 H new ATOM 0 HB2 SER A 37 3.776 14.415 -3.098 1.00 53.24 H new ATOM 0 HB3 SER A 37 2.025 14.414 -3.186 1.00 53.24 H new ATOM 0 HG SER A 37 2.982 15.862 -4.727 1.00 13.21 H new ATOM 582 N SER A 38 0.436 15.645 -0.867 1.00 74.20 N ATOM 583 CA SER A 38 -0.846 16.321 -0.566 1.00 0.22 C ATOM 584 C SER A 38 -0.856 16.889 0.859 1.00 54.35 C ATOM 585 O SER A 38 -1.614 17.809 1.151 1.00 14.41 O ATOM 586 CB SER A 38 -2.045 15.365 -0.780 1.00 70.42 C ATOM 587 OG SER A 38 -2.105 14.904 -2.125 1.00 44.24 O ATOM 0 H SER A 38 0.391 14.630 -0.779 1.00 74.20 H new ATOM 0 HA SER A 38 -0.947 17.154 -1.261 1.00 0.22 H new ATOM 0 HB2 SER A 38 -1.959 14.514 -0.105 1.00 70.42 H new ATOM 0 HB3 SER A 38 -2.972 15.879 -0.528 1.00 70.42 H new ATOM 0 HG SER A 38 -1.431 14.206 -2.262 1.00 44.24 H new ATOM 593 N ASP A 39 -0.019 16.318 1.739 1.00 15.40 N ATOM 594 CA ASP A 39 0.267 16.895 3.066 1.00 40.02 C ATOM 595 C ASP A 39 1.081 18.210 2.926 1.00 54.41 C ATOM 596 O ASP A 39 0.758 19.215 3.551 1.00 74.45 O ATOM 597 CB ASP A 39 1.035 15.864 3.917 1.00 63.41 C ATOM 598 CG ASP A 39 1.265 16.314 5.367 1.00 54.20 C ATOM 599 OD1 ASP A 39 0.346 16.154 6.203 1.00 42.34 O ATOM 600 OD2 ASP A 39 2.355 16.839 5.675 1.00 50.42 O ATOM 0 H ASP A 39 0.478 15.447 1.554 1.00 15.40 H new ATOM 0 HA ASP A 39 -0.673 17.137 3.563 1.00 40.02 H new ATOM 0 HB2 ASP A 39 0.483 14.924 3.920 1.00 63.41 H new ATOM 0 HB3 ASP A 39 1.999 15.665 3.450 1.00 63.41 H new ATOM 605 N LEU A 40 2.138 18.174 2.090 1.00 14.51 N ATOM 606 CA LEU A 40 2.977 19.357 1.785 1.00 20.12 C ATOM 607 C LEU A 40 2.207 20.393 0.937 1.00 12.52 C ATOM 608 O LEU A 40 2.505 21.586 0.995 1.00 71.43 O ATOM 609 CB LEU A 40 4.299 18.927 1.079 1.00 33.33 C ATOM 610 CG LEU A 40 5.461 18.469 2.027 1.00 22.15 C ATOM 611 CD1 LEU A 40 5.098 17.238 2.877 1.00 53.12 C ATOM 612 CD2 LEU A 40 6.769 18.233 1.233 1.00 45.45 C ATOM 0 H LEU A 40 2.436 17.327 1.606 1.00 14.51 H new ATOM 0 HA LEU A 40 3.234 19.836 2.730 1.00 20.12 H new ATOM 0 HB2 LEU A 40 4.073 18.111 0.392 1.00 33.33 H new ATOM 0 HB3 LEU A 40 4.655 19.762 0.476 1.00 33.33 H new ATOM 0 HG LEU A 40 5.625 19.287 2.728 1.00 22.15 H new ATOM 0 HD11 LEU A 40 5.944 16.972 3.511 1.00 53.12 H new ATOM 0 HD12 LEU A 40 4.235 17.469 3.501 1.00 53.12 H new ATOM 0 HD13 LEU A 40 4.858 16.401 2.221 1.00 53.12 H new ATOM 0 HD21 LEU A 40 7.557 17.916 1.916 1.00 45.45 H new ATOM 0 HD22 LEU A 40 6.605 17.458 0.484 1.00 45.45 H new ATOM 0 HD23 LEU A 40 7.067 19.158 0.739 1.00 45.45 H new ATOM 624 N ARG A 41 1.233 19.910 0.146 1.00 43.30 N ATOM 625 CA ARG A 41 0.281 20.763 -0.597 1.00 75.15 C ATOM 626 C ARG A 41 -0.687 21.452 0.384 1.00 22.31 C ATOM 627 O ARG A 41 -1.000 22.623 0.231 1.00 12.51 O ATOM 628 CB ARG A 41 -0.506 19.898 -1.621 1.00 75.35 C ATOM 629 CG ARG A 41 -1.747 20.571 -2.243 1.00 22.42 C ATOM 630 CD ARG A 41 -2.537 19.630 -3.161 1.00 41.13 C ATOM 631 NE ARG A 41 -3.824 20.213 -3.563 1.00 40.13 N ATOM 632 CZ ARG A 41 -4.873 19.547 -3.984 1.00 24.54 C ATOM 633 NH1 ARG A 41 -4.832 18.264 -4.168 1.00 13.10 N ATOM 634 NH2 ARG A 41 -5.968 20.177 -4.235 1.00 13.33 N ATOM 0 H ARG A 41 1.081 18.912 0.002 1.00 43.30 H new ATOM 0 HA ARG A 41 0.832 21.533 -1.136 1.00 75.15 H new ATOM 0 HB2 ARG A 41 0.172 19.611 -2.425 1.00 75.35 H new ATOM 0 HB3 ARG A 41 -0.822 18.979 -1.127 1.00 75.35 H new ATOM 0 HG2 ARG A 41 -2.400 20.926 -1.446 1.00 22.42 H new ATOM 0 HG3 ARG A 41 -1.433 21.447 -2.811 1.00 22.42 H new ATOM 0 HD2 ARG A 41 -1.946 19.408 -4.049 1.00 41.13 H new ATOM 0 HD3 ARG A 41 -2.711 18.684 -2.649 1.00 41.13 H new ATOM 0 HE ARG A 41 -3.910 21.228 -3.510 1.00 40.13 H new ATOM 0 HH11 ARG A 41 -3.970 17.750 -3.985 1.00 13.10 H new ATOM 0 HH12 ARG A 41 -5.661 17.769 -4.496 1.00 13.10 H new ATOM 0 HH21 ARG A 41 -6.016 21.188 -4.106 1.00 13.33 H new ATOM 0 HH22 ARG A 41 -6.787 19.665 -4.563 1.00 13.33 H new ATOM 648 N ASN A 42 -1.138 20.683 1.396 1.00 11.13 N ATOM 649 CA ASN A 42 -1.993 21.186 2.494 1.00 25.31 C ATOM 650 C ASN A 42 -1.281 22.316 3.288 1.00 62.00 C ATOM 651 O ASN A 42 -1.917 23.284 3.715 1.00 1.02 O ATOM 652 CB ASN A 42 -2.371 19.998 3.427 1.00 45.34 C ATOM 653 CG ASN A 42 -3.325 20.355 4.574 1.00 14.13 C ATOM 654 OD1 ASN A 42 -4.175 21.225 4.452 1.00 65.24 O ATOM 655 ND2 ASN A 42 -3.192 19.686 5.701 1.00 34.35 N ATOM 0 H ASN A 42 -0.919 19.690 1.476 1.00 11.13 H new ATOM 0 HA ASN A 42 -2.901 21.616 2.072 1.00 25.31 H new ATOM 0 HB2 ASN A 42 -2.828 19.213 2.824 1.00 45.34 H new ATOM 0 HB3 ASN A 42 -1.457 19.583 3.850 1.00 45.34 H new ATOM 0 HD21 ASN A 42 -3.804 19.890 6.491 1.00 34.35 H new ATOM 0 HD22 ASN A 42 -2.477 18.963 5.784 1.00 34.35 H new ATOM 662 N LEU A 43 0.050 22.183 3.447 1.00 12.45 N ATOM 663 CA LEU A 43 0.888 23.184 4.141 1.00 12.34 C ATOM 664 C LEU A 43 1.214 24.382 3.220 1.00 14.04 C ATOM 665 O LEU A 43 1.259 25.524 3.677 1.00 42.23 O ATOM 666 CB LEU A 43 2.196 22.524 4.656 1.00 42.03 C ATOM 667 CG LEU A 43 2.014 21.299 5.612 1.00 32.51 C ATOM 668 CD1 LEU A 43 3.374 20.727 6.077 1.00 64.21 C ATOM 669 CD2 LEU A 43 1.101 21.643 6.814 1.00 31.52 C ATOM 0 H LEU A 43 0.575 21.381 3.099 1.00 12.45 H new ATOM 0 HA LEU A 43 0.323 23.564 4.993 1.00 12.34 H new ATOM 0 HB2 LEU A 43 2.782 22.204 3.794 1.00 42.03 H new ATOM 0 HB3 LEU A 43 2.782 23.282 5.176 1.00 42.03 H new ATOM 0 HG LEU A 43 1.515 20.518 5.039 1.00 32.51 H new ATOM 0 HD11 LEU A 43 3.204 19.878 6.739 1.00 64.21 H new ATOM 0 HD12 LEU A 43 3.948 20.402 5.209 1.00 64.21 H new ATOM 0 HD13 LEU A 43 3.930 21.498 6.611 1.00 64.21 H new ATOM 0 HD21 LEU A 43 0.998 20.768 7.455 1.00 31.52 H new ATOM 0 HD22 LEU A 43 1.542 22.461 7.384 1.00 31.52 H new ATOM 0 HD23 LEU A 43 0.118 21.943 6.450 1.00 31.52 H new ATOM 681 N LYS A 44 1.408 24.111 1.914 1.00 32.11 N ATOM 682 CA LYS A 44 1.783 25.152 0.930 1.00 40.32 C ATOM 683 C LYS A 44 0.597 26.097 0.691 1.00 52.13 C ATOM 684 O LYS A 44 0.752 27.321 0.702 1.00 13.31 O ATOM 685 CB LYS A 44 2.228 24.492 -0.409 1.00 31.12 C ATOM 686 CG LYS A 44 2.600 25.471 -1.555 1.00 73.22 C ATOM 687 CD LYS A 44 3.776 26.408 -1.195 1.00 33.44 C ATOM 688 CE LYS A 44 4.051 27.466 -2.281 1.00 5.52 C ATOM 689 NZ LYS A 44 4.432 26.860 -3.583 1.00 44.20 N ATOM 0 H LYS A 44 1.311 23.178 1.513 1.00 32.11 H new ATOM 0 HA LYS A 44 2.619 25.729 1.326 1.00 40.32 H new ATOM 0 HB2 LYS A 44 3.088 23.853 -0.209 1.00 31.12 H new ATOM 0 HB3 LYS A 44 1.424 23.844 -0.757 1.00 31.12 H new ATOM 0 HG2 LYS A 44 2.860 24.897 -2.445 1.00 73.22 H new ATOM 0 HG3 LYS A 44 1.727 26.074 -1.808 1.00 73.22 H new ATOM 0 HD2 LYS A 44 3.559 26.910 -0.252 1.00 33.44 H new ATOM 0 HD3 LYS A 44 4.675 25.812 -1.039 1.00 33.44 H new ATOM 0 HE2 LYS A 44 3.162 28.082 -2.417 1.00 5.52 H new ATOM 0 HE3 LYS A 44 4.849 28.128 -1.945 1.00 5.52 H new ATOM 0 HZ1 LYS A 44 4.623 27.613 -4.274 1.00 44.20 H new ATOM 0 HZ2 LYS A 44 5.286 26.280 -3.459 1.00 44.20 H new ATOM 0 HZ3 LYS A 44 3.654 26.262 -3.928 1.00 44.20 H new ATOM 703 N THR A 45 -0.589 25.484 0.516 1.00 24.02 N ATOM 704 CA THR A 45 -1.856 26.198 0.281 1.00 43.14 C ATOM 705 C THR A 45 -2.284 26.994 1.526 1.00 4.34 C ATOM 706 O THR A 45 -2.865 28.063 1.411 1.00 63.32 O ATOM 707 CB THR A 45 -2.996 25.213 -0.162 1.00 10.40 C ATOM 708 OG1 THR A 45 -4.054 25.934 -0.834 1.00 33.03 O ATOM 709 CG2 THR A 45 -3.605 24.407 0.999 1.00 42.11 C ATOM 0 H THR A 45 -0.694 24.470 0.534 1.00 24.02 H new ATOM 0 HA THR A 45 -1.685 26.903 -0.533 1.00 43.14 H new ATOM 0 HB THR A 45 -2.522 24.501 -0.838 1.00 10.40 H new ATOM 0 HG1 THR A 45 -4.756 25.307 -1.105 1.00 33.03 H new ATOM 0 HG21 THR A 45 -4.385 23.749 0.616 1.00 42.11 H new ATOM 0 HG22 THR A 45 -2.827 23.809 1.474 1.00 42.11 H new ATOM 0 HG23 THR A 45 -4.035 25.091 1.731 1.00 42.11 H new ATOM 717 N ALA A 46 -1.969 26.446 2.716 1.00 33.43 N ATOM 718 CA ALA A 46 -2.232 27.105 4.011 1.00 22.13 C ATOM 719 C ALA A 46 -1.434 28.414 4.146 1.00 4.30 C ATOM 720 O ALA A 46 -2.008 29.471 4.423 1.00 72.24 O ATOM 721 CB ALA A 46 -1.911 26.148 5.170 1.00 73.40 C ATOM 0 H ALA A 46 -1.524 25.533 2.807 1.00 33.43 H new ATOM 0 HA ALA A 46 -3.291 27.360 4.052 1.00 22.13 H new ATOM 0 HB1 ALA A 46 -2.109 26.646 6.119 1.00 73.40 H new ATOM 0 HB2 ALA A 46 -2.535 25.258 5.090 1.00 73.40 H new ATOM 0 HB3 ALA A 46 -0.861 25.860 5.124 1.00 73.40 H new ATOM 727 N LEU A 47 -0.111 28.330 3.920 1.00 73.03 N ATOM 728 CA LEU A 47 0.797 29.493 4.011 1.00 42.44 C ATOM 729 C LEU A 47 0.521 30.538 2.901 1.00 25.53 C ATOM 730 O LEU A 47 0.416 31.731 3.197 1.00 1.31 O ATOM 731 CB LEU A 47 2.294 29.046 3.995 1.00 34.33 C ATOM 732 CG LEU A 47 2.916 28.622 5.372 1.00 14.22 C ATOM 733 CD1 LEU A 47 2.143 27.458 6.031 1.00 61.35 C ATOM 734 CD2 LEU A 47 4.421 28.283 5.218 1.00 44.52 C ATOM 0 H LEU A 47 0.359 27.460 3.670 1.00 73.03 H new ATOM 0 HA LEU A 47 0.596 29.976 4.967 1.00 42.44 H new ATOM 0 HB2 LEU A 47 2.392 28.208 3.305 1.00 34.33 H new ATOM 0 HB3 LEU A 47 2.889 29.864 3.590 1.00 34.33 H new ATOM 0 HG LEU A 47 2.826 29.477 6.042 1.00 14.22 H new ATOM 0 HD11 LEU A 47 2.612 27.201 6.981 1.00 61.35 H new ATOM 0 HD12 LEU A 47 1.110 27.760 6.206 1.00 61.35 H new ATOM 0 HD13 LEU A 47 2.160 26.590 5.372 1.00 61.35 H new ATOM 0 HD21 LEU A 47 4.829 27.992 6.186 1.00 44.52 H new ATOM 0 HD22 LEU A 47 4.538 27.460 4.513 1.00 44.52 H new ATOM 0 HD23 LEU A 47 4.955 29.158 4.847 1.00 44.52 H new ATOM 746 N GLU A 48 0.366 30.091 1.635 1.00 72.23 N ATOM 747 CA GLU A 48 0.176 31.018 0.488 1.00 13.03 C ATOM 748 C GLU A 48 -1.183 31.748 0.578 1.00 43.33 C ATOM 749 O GLU A 48 -1.290 32.909 0.182 1.00 42.12 O ATOM 750 CB GLU A 48 0.309 30.275 -0.873 1.00 35.23 C ATOM 751 CG GLU A 48 -0.880 29.379 -1.266 1.00 51.52 C ATOM 752 CD GLU A 48 -0.686 28.680 -2.619 1.00 30.51 C ATOM 753 OE1 GLU A 48 -1.042 29.274 -3.660 1.00 40.41 O ATOM 754 OE2 GLU A 48 -0.149 27.550 -2.651 1.00 31.14 O ATOM 0 H GLU A 48 0.368 29.104 1.379 1.00 72.23 H new ATOM 0 HA GLU A 48 0.968 31.765 0.541 1.00 13.03 H new ATOM 0 HB2 GLU A 48 0.455 31.017 -1.658 1.00 35.23 H new ATOM 0 HB3 GLU A 48 1.209 29.660 -0.844 1.00 35.23 H new ATOM 0 HG2 GLU A 48 -1.031 28.626 -0.493 1.00 51.52 H new ATOM 0 HG3 GLU A 48 -1.786 29.984 -1.303 1.00 51.52 H new ATOM 761 N SER A 49 -2.208 31.053 1.120 1.00 23.40 N ATOM 762 CA SER A 49 -3.546 31.635 1.357 1.00 14.55 C ATOM 763 C SER A 49 -3.530 32.581 2.573 1.00 63.15 C ATOM 764 O SER A 49 -4.232 33.587 2.578 1.00 63.22 O ATOM 765 CB SER A 49 -4.601 30.524 1.566 1.00 73.44 C ATOM 766 OG SER A 49 -5.894 31.054 1.803 1.00 5.12 O ATOM 0 H SER A 49 -2.131 30.076 1.404 1.00 23.40 H new ATOM 0 HA SER A 49 -3.816 32.212 0.472 1.00 14.55 H new ATOM 0 HB2 SER A 49 -4.629 29.881 0.686 1.00 73.44 H new ATOM 0 HB3 SER A 49 -4.306 29.899 2.409 1.00 73.44 H new ATOM 0 HG SER A 49 -6.531 30.320 1.928 1.00 5.12 H new ATOM 772 N ALA A 50 -2.686 32.263 3.583 1.00 72.23 N ATOM 773 CA ALA A 50 -2.580 33.064 4.834 1.00 2.13 C ATOM 774 C ALA A 50 -1.904 34.421 4.557 1.00 4.31 C ATOM 775 O ALA A 50 -2.354 35.471 5.034 1.00 23.23 O ATOM 776 CB ALA A 50 -1.798 32.285 5.904 1.00 1.15 C ATOM 0 H ALA A 50 -2.065 31.454 3.559 1.00 72.23 H new ATOM 0 HA ALA A 50 -3.587 33.253 5.206 1.00 2.13 H new ATOM 0 HB1 ALA A 50 -1.729 32.884 6.812 1.00 1.15 H new ATOM 0 HB2 ALA A 50 -2.314 31.350 6.124 1.00 1.15 H new ATOM 0 HB3 ALA A 50 -0.795 32.068 5.536 1.00 1.15 H new ATOM 782 N PHE A 51 -0.819 34.369 3.775 1.00 12.45 N ATOM 783 CA PHE A 51 -0.089 35.564 3.321 1.00 73.41 C ATOM 784 C PHE A 51 -0.857 36.311 2.202 1.00 11.15 C ATOM 785 O PHE A 51 -0.620 37.503 1.978 1.00 20.04 O ATOM 786 CB PHE A 51 1.344 35.180 2.867 1.00 22.13 C ATOM 787 CG PHE A 51 2.266 34.752 4.021 1.00 13.20 C ATOM 788 CD1 PHE A 51 2.628 35.667 5.013 1.00 35.34 C ATOM 789 CD2 PHE A 51 2.770 33.453 4.115 1.00 72.13 C ATOM 790 CE1 PHE A 51 3.451 35.290 6.060 1.00 70.21 C ATOM 791 CE2 PHE A 51 3.593 33.080 5.159 1.00 23.21 C ATOM 792 CZ PHE A 51 3.935 33.998 6.132 1.00 23.42 C ATOM 0 H PHE A 51 -0.419 33.494 3.437 1.00 12.45 H new ATOM 0 HA PHE A 51 -0.008 36.252 4.163 1.00 73.41 H new ATOM 0 HB2 PHE A 51 1.280 34.367 2.144 1.00 22.13 H new ATOM 0 HB3 PHE A 51 1.792 36.030 2.352 1.00 22.13 H new ATOM 0 HD1 PHE A 51 2.261 36.681 4.962 1.00 35.34 H new ATOM 0 HD2 PHE A 51 2.512 32.728 3.358 1.00 72.13 H new ATOM 0 HE1 PHE A 51 3.715 36.008 6.823 1.00 70.21 H new ATOM 0 HE2 PHE A 51 3.970 32.069 5.215 1.00 23.21 H new ATOM 0 HZ PHE A 51 4.580 33.707 6.948 1.00 23.42 H new ATOM 802 N ALA A 52 -1.781 35.606 1.509 1.00 2.12 N ATOM 803 CA ALA A 52 -2.718 36.240 0.548 1.00 64.13 C ATOM 804 C ALA A 52 -3.770 37.083 1.296 1.00 24.05 C ATOM 805 O ALA A 52 -4.118 38.180 0.860 1.00 54.11 O ATOM 806 CB ALA A 52 -3.412 35.191 -0.333 1.00 12.04 C ATOM 0 H ALA A 52 -1.899 34.597 1.597 1.00 2.12 H new ATOM 0 HA ALA A 52 -2.134 36.894 -0.100 1.00 64.13 H new ATOM 0 HB1 ALA A 52 -4.091 35.689 -1.025 1.00 12.04 H new ATOM 0 HB2 ALA A 52 -2.662 34.636 -0.897 1.00 12.04 H new ATOM 0 HB3 ALA A 52 -3.976 34.503 0.297 1.00 12.04 H new ATOM 812 N ASP A 53 -4.258 36.541 2.433 1.00 21.42 N ATOM 813 CA ASP A 53 -5.202 37.238 3.328 1.00 71.52 C ATOM 814 C ASP A 53 -4.540 38.468 3.993 1.00 65.22 C ATOM 815 O ASP A 53 -5.087 39.577 3.957 1.00 73.41 O ATOM 816 CB ASP A 53 -5.733 36.274 4.433 1.00 34.11 C ATOM 817 CG ASP A 53 -6.553 35.079 3.912 1.00 3.44 C ATOM 818 OD1 ASP A 53 -7.071 35.123 2.775 1.00 25.13 O ATOM 819 OD2 ASP A 53 -6.721 34.096 4.670 1.00 33.13 O ATOM 0 H ASP A 53 -4.007 35.606 2.755 1.00 21.42 H new ATOM 0 HA ASP A 53 -6.038 37.578 2.716 1.00 71.52 H new ATOM 0 HB2 ASP A 53 -4.884 35.893 5.001 1.00 34.11 H new ATOM 0 HB3 ASP A 53 -6.350 36.845 5.127 1.00 34.11 H new ATOM 824 N ASP A 54 -3.348 38.263 4.575 1.00 0.05 N ATOM 825 CA ASP A 54 -2.668 39.285 5.402 1.00 61.44 C ATOM 826 C ASP A 54 -1.137 39.324 5.156 1.00 44.52 C ATOM 827 O ASP A 54 -0.501 38.300 4.920 1.00 42.44 O ATOM 828 CB ASP A 54 -2.979 39.021 6.896 1.00 61.31 C ATOM 829 CG ASP A 54 -2.372 40.086 7.817 1.00 54.31 C ATOM 830 OD1 ASP A 54 -2.771 41.266 7.708 1.00 52.03 O ATOM 831 OD2 ASP A 54 -1.471 39.772 8.616 1.00 12.50 O ATOM 0 H ASP A 54 -2.827 37.390 4.489 1.00 0.05 H new ATOM 0 HA ASP A 54 -3.051 40.264 5.112 1.00 61.44 H new ATOM 0 HB2 ASP A 54 -4.059 38.993 7.040 1.00 61.31 H new ATOM 0 HB3 ASP A 54 -2.595 38.040 7.176 1.00 61.31 H new ATOM 836 N GLN A 55 -0.565 40.542 5.250 1.00 73.05 N ATOM 837 CA GLN A 55 0.878 40.811 5.041 1.00 22.11 C ATOM 838 C GLN A 55 1.462 41.684 6.181 1.00 31.33 C ATOM 839 O GLN A 55 2.489 42.342 5.997 1.00 11.44 O ATOM 840 CB GLN A 55 1.078 41.499 3.652 1.00 53.35 C ATOM 841 CG GLN A 55 0.906 40.563 2.436 1.00 1.51 C ATOM 842 CD GLN A 55 2.069 39.573 2.269 1.00 51.34 C ATOM 843 OE1 GLN A 55 3.035 39.841 1.564 1.00 71.20 O ATOM 844 NE2 GLN A 55 1.995 38.438 2.934 1.00 3.53 N ATOM 0 H GLN A 55 -1.099 41.381 5.477 1.00 73.05 H new ATOM 0 HA GLN A 55 1.418 39.864 5.055 1.00 22.11 H new ATOM 0 HB2 GLN A 55 0.368 42.321 3.564 1.00 53.35 H new ATOM 0 HB3 GLN A 55 2.076 41.935 3.619 1.00 53.35 H new ATOM 0 HG2 GLN A 55 -0.025 40.006 2.542 1.00 1.51 H new ATOM 0 HG3 GLN A 55 0.816 41.165 1.532 1.00 1.51 H new ATOM 0 HE21 GLN A 55 1.180 38.239 3.514 1.00 3.53 H new ATOM 0 HE22 GLN A 55 2.753 37.758 2.869 1.00 3.53 H new ATOM 853 N THR A 56 0.833 41.657 7.375 1.00 34.51 N ATOM 854 CA THR A 56 1.329 42.430 8.554 1.00 61.51 C ATOM 855 C THR A 56 2.096 41.508 9.532 1.00 71.31 C ATOM 856 O THR A 56 1.592 41.106 10.584 1.00 53.13 O ATOM 857 CB THR A 56 0.184 43.212 9.303 1.00 54.22 C ATOM 858 OG1 THR A 56 -0.773 42.309 9.885 1.00 74.00 O ATOM 859 CG2 THR A 56 -0.553 44.181 8.362 1.00 12.53 C ATOM 0 H THR A 56 -0.013 41.116 7.556 1.00 34.51 H new ATOM 0 HA THR A 56 2.015 43.182 8.166 1.00 61.51 H new ATOM 0 HB THR A 56 0.668 43.785 10.094 1.00 54.22 H new ATOM 0 HG1 THR A 56 -0.301 41.566 10.317 1.00 74.00 H new ATOM 0 HG21 THR A 56 -1.335 44.701 8.915 1.00 12.53 H new ATOM 0 HG22 THR A 56 0.154 44.908 7.962 1.00 12.53 H new ATOM 0 HG23 THR A 56 -1.001 43.621 7.541 1.00 12.53 H new ATOM 867 N TYR A 57 3.331 41.146 9.137 1.00 43.41 N ATOM 868 CA TYR A 57 4.229 40.256 9.921 1.00 12.11 C ATOM 869 C TYR A 57 5.633 40.910 10.056 1.00 25.12 C ATOM 870 O TYR A 57 6.528 40.641 9.244 1.00 73.14 O ATOM 871 CB TYR A 57 4.320 38.847 9.252 1.00 24.34 C ATOM 872 CG TYR A 57 2.962 38.132 9.135 1.00 53.41 C ATOM 873 CD1 TYR A 57 2.429 37.426 10.216 1.00 61.50 C ATOM 874 CD2 TYR A 57 2.198 38.195 7.964 1.00 72.33 C ATOM 875 CE1 TYR A 57 1.200 36.806 10.129 1.00 12.23 C ATOM 876 CE2 TYR A 57 0.964 37.582 7.879 1.00 40.23 C ATOM 877 CZ TYR A 57 0.471 36.890 8.962 1.00 34.32 C ATOM 878 OH TYR A 57 -0.764 36.289 8.886 1.00 3.31 O ATOM 0 H TYR A 57 3.743 41.462 8.259 1.00 43.41 H new ATOM 0 HA TYR A 57 3.817 40.121 10.921 1.00 12.11 H new ATOM 0 HB2 TYR A 57 4.752 38.954 8.257 1.00 24.34 H new ATOM 0 HB3 TYR A 57 5.001 38.223 9.830 1.00 24.34 H new ATOM 0 HD1 TYR A 57 2.990 37.364 11.137 1.00 61.50 H new ATOM 0 HD2 TYR A 57 2.581 38.734 7.110 1.00 72.33 H new ATOM 0 HE1 TYR A 57 0.810 36.256 10.973 1.00 12.23 H new ATOM 0 HE2 TYR A 57 0.388 37.645 6.967 1.00 40.23 H new ATOM 0 HH TYR A 57 -1.148 36.442 7.997 1.00 3.31 H new ATOM 888 N PRO A 58 5.837 41.823 11.070 1.00 52.54 N ATOM 889 CA PRO A 58 7.102 42.591 11.216 1.00 4.04 C ATOM 890 C PRO A 58 8.282 41.735 11.785 1.00 63.53 C ATOM 891 O PRO A 58 8.095 40.997 12.760 1.00 52.21 O ATOM 892 CB PRO A 58 6.699 43.737 12.183 1.00 65.42 C ATOM 893 CG PRO A 58 5.615 43.147 13.039 1.00 0.31 C ATOM 894 CD PRO A 58 4.860 42.173 12.143 1.00 32.15 C ATOM 0 HA PRO A 58 7.486 42.942 10.258 1.00 4.04 H new ATOM 0 HB2 PRO A 58 7.546 44.063 12.786 1.00 65.42 H new ATOM 0 HB3 PRO A 58 6.342 44.610 11.636 1.00 65.42 H new ATOM 0 HG2 PRO A 58 6.036 42.636 13.905 1.00 0.31 H new ATOM 0 HG3 PRO A 58 4.951 43.923 13.419 1.00 0.31 H new ATOM 0 HD2 PRO A 58 4.543 41.289 12.696 1.00 32.15 H new ATOM 0 HD3 PRO A 58 3.961 42.629 11.729 1.00 32.15 H new ATOM 902 N PRO A 59 9.520 41.817 11.176 1.00 55.12 N ATOM 903 CA PRO A 59 10.717 41.093 11.682 1.00 70.24 C ATOM 904 C PRO A 59 11.306 41.766 12.961 1.00 2.40 C ATOM 905 O PRO A 59 12.158 42.663 12.887 1.00 1.44 O ATOM 906 CB PRO A 59 11.681 41.142 10.467 1.00 41.00 C ATOM 907 CG PRO A 59 11.327 42.411 9.746 1.00 63.31 C ATOM 908 CD PRO A 59 9.834 42.595 9.939 1.00 2.11 C ATOM 0 HA PRO A 59 10.509 40.074 12.008 1.00 70.24 H new ATOM 0 HB2 PRO A 59 12.722 41.147 10.789 1.00 41.00 H new ATOM 0 HB3 PRO A 59 11.551 40.272 9.823 1.00 41.00 H new ATOM 0 HG2 PRO A 59 11.881 43.258 10.151 1.00 63.31 H new ATOM 0 HG3 PRO A 59 11.579 42.342 8.688 1.00 63.31 H new ATOM 0 HD2 PRO A 59 9.575 43.647 10.055 1.00 2.11 H new ATOM 0 HD3 PRO A 59 9.274 42.222 9.082 1.00 2.11 H new ATOM 916 N GLU A 60 10.799 41.341 14.133 1.00 73.32 N ATOM 917 CA GLU A 60 11.108 41.974 15.443 1.00 64.34 C ATOM 918 C GLU A 60 12.543 41.651 15.941 1.00 44.52 C ATOM 919 O GLU A 60 13.264 42.547 16.392 1.00 11.14 O ATOM 920 CB GLU A 60 10.059 41.525 16.488 1.00 11.21 C ATOM 921 CG GLU A 60 8.601 41.865 16.101 1.00 23.54 C ATOM 922 CD GLU A 60 7.566 41.216 17.031 1.00 75.02 C ATOM 923 OE1 GLU A 60 7.287 41.776 18.107 1.00 14.50 O ATOM 924 OE2 GLU A 60 7.069 40.116 16.711 1.00 51.14 O ATOM 0 H GLU A 60 10.162 40.548 14.206 1.00 73.32 H new ATOM 0 HA GLU A 60 11.063 43.055 15.308 1.00 64.34 H new ATOM 0 HB2 GLU A 60 10.144 40.448 16.633 1.00 11.21 H new ATOM 0 HB3 GLU A 60 10.289 41.995 17.444 1.00 11.21 H new ATOM 0 HG2 GLU A 60 8.469 42.947 16.119 1.00 23.54 H new ATOM 0 HG3 GLU A 60 8.417 41.538 15.078 1.00 23.54 H new ATOM 931 N SER A 61 12.944 40.370 15.856 1.00 53.04 N ATOM 932 CA SER A 61 14.298 39.905 16.276 1.00 42.25 C ATOM 933 C SER A 61 15.075 39.320 15.063 1.00 2.44 C ATOM 934 O SER A 61 14.845 38.145 14.705 1.00 3.52 O ATOM 935 CB SER A 61 14.173 38.853 17.415 1.00 1.43 C ATOM 936 OG SER A 61 13.532 39.397 18.561 1.00 21.32 O ATOM 937 OXT SER A 61 15.885 40.048 14.448 1.00 37.21 O ATOM 0 H SER A 61 12.349 39.623 15.497 1.00 53.04 H new ATOM 0 HA SER A 61 14.860 40.758 16.655 1.00 42.25 H new ATOM 0 HB2 SER A 61 13.609 37.992 17.056 1.00 1.43 H new ATOM 0 HB3 SER A 61 15.165 38.492 17.689 1.00 1.43 H new ATOM 0 HG SER A 61 13.468 38.710 19.257 1.00 21.32 H new TER 943 SER A 61