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+ 158:sc= 0.239 (180deg=0.0585) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.19) 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+ -174:sc= 0 (180deg=-0.0467) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.047 K(o=-0.047,f=-2!) 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 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.891 K(o=-0.89,f=-4.4!) USER MOD Single : A 56 THR OG1 : rot 55:sc= 0.282 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 -3.132 -33.845 8.155 1.00 73.12 N ATOM 2 CA PHE A 1 -3.867 -35.134 8.086 1.00 15.32 C ATOM 3 C PHE A 1 -3.634 -35.825 6.719 1.00 50.34 C ATOM 4 O PHE A 1 -3.024 -36.901 6.652 1.00 42.31 O ATOM 5 CB PHE A 1 -5.378 -34.901 8.349 1.00 12.22 C ATOM 6 CG PHE A 1 -5.670 -34.210 9.685 1.00 30.41 C ATOM 7 CD1 PHE A 1 -5.396 -34.856 10.893 1.00 22.51 C ATOM 8 CD2 PHE A 1 -6.224 -32.929 9.738 1.00 0.35 C ATOM 9 CE1 PHE A 1 -5.656 -34.240 12.103 1.00 2.31 C ATOM 10 CE2 PHE A 1 -6.485 -32.314 10.950 1.00 12.41 C ATOM 11 CZ PHE A 1 -6.205 -32.971 12.132 1.00 43.12 C ATOM 0 H1 PHE A 1 -3.569 -33.234 8.875 1.00 73.12 H new ATOM 0 H2 PHE A 1 -2.140 -34.024 8.409 1.00 73.12 H new ATOM 0 H3 PHE A 1 -3.172 -33.372 7.229 1.00 73.12 H new ATOM 0 HA PHE A 1 -3.485 -35.799 8.861 1.00 15.32 H new ATOM 0 HB2 PHE A 1 -5.790 -34.298 7.540 1.00 12.22 H new ATOM 0 HB3 PHE A 1 -5.894 -35.861 8.326 1.00 12.22 H new ATOM 0 HD1 PHE A 1 -4.975 -35.851 10.881 1.00 22.51 H new ATOM 0 HD2 PHE A 1 -6.452 -32.410 8.819 1.00 0.35 H new ATOM 0 HE1 PHE A 1 -5.430 -34.751 13.027 1.00 2.31 H new ATOM 0 HE2 PHE A 1 -6.908 -31.320 10.971 1.00 12.41 H new ATOM 0 HZ PHE A 1 -6.415 -32.494 13.078 1.00 43.12 H new ATOM 23 N THR A 2 -4.112 -35.186 5.632 1.00 22.03 N ATOM 24 CA THR A 2 -4.000 -35.711 4.249 1.00 4.11 C ATOM 25 C THR A 2 -2.973 -34.898 3.432 1.00 24.10 C ATOM 26 O THR A 2 -2.988 -33.660 3.456 1.00 41.43 O ATOM 27 CB THR A 2 -5.396 -35.670 3.543 1.00 21.43 C ATOM 28 OG1 THR A 2 -6.369 -36.357 4.350 1.00 70.24 O ATOM 29 CG2 THR A 2 -5.375 -36.295 2.135 1.00 24.41 C ATOM 0 H THR A 2 -4.590 -34.286 5.685 1.00 22.03 H new ATOM 0 HA THR A 2 -3.656 -36.744 4.304 1.00 4.11 H new ATOM 0 HB THR A 2 -5.661 -34.619 3.430 1.00 21.43 H new ATOM 0 HG1 THR A 2 -7.242 -36.328 3.906 1.00 70.24 H new ATOM 0 HG21 THR A 2 -6.371 -36.237 1.696 1.00 24.41 H new ATOM 0 HG22 THR A 2 -4.669 -35.752 1.506 1.00 24.41 H new ATOM 0 HG23 THR A 2 -5.069 -37.339 2.205 1.00 24.41 H new ATOM 37 N LEU A 3 -2.099 -35.622 2.692 1.00 33.55 N ATOM 38 CA LEU A 3 -1.045 -35.026 1.823 1.00 34.35 C ATOM 39 C LEU A 3 -1.619 -34.137 0.688 1.00 13.11 C ATOM 40 O LEU A 3 -0.898 -33.341 0.082 1.00 75.01 O ATOM 41 CB LEU A 3 -0.110 -36.113 1.219 1.00 70.01 C ATOM 42 CG LEU A 3 -0.672 -37.009 0.054 1.00 31.41 C ATOM 43 CD1 LEU A 3 0.441 -37.875 -0.579 1.00 22.01 C ATOM 44 CD2 LEU A 3 -1.850 -37.894 0.516 1.00 62.24 C ATOM 0 H LEU A 3 -2.102 -36.642 2.678 1.00 33.55 H new ATOM 0 HA LEU A 3 -0.461 -34.382 2.481 1.00 34.35 H new ATOM 0 HB2 LEU A 3 0.788 -35.615 0.853 1.00 70.01 H new ATOM 0 HB3 LEU A 3 0.200 -36.774 2.029 1.00 70.01 H new ATOM 0 HG LEU A 3 -1.052 -36.328 -0.707 1.00 31.41 H new ATOM 0 HD11 LEU A 3 0.019 -38.482 -1.380 1.00 22.01 H new ATOM 0 HD12 LEU A 3 1.219 -37.228 -0.985 1.00 22.01 H new ATOM 0 HD13 LEU A 3 0.872 -38.527 0.181 1.00 22.01 H new ATOM 0 HD21 LEU A 3 -2.204 -38.494 -0.322 1.00 62.24 H new ATOM 0 HD22 LEU A 3 -1.518 -38.552 1.319 1.00 62.24 H new ATOM 0 HD23 LEU A 3 -2.661 -37.261 0.877 1.00 62.24 H new ATOM 56 N ILE A 4 -2.914 -34.307 0.412 1.00 43.15 N ATOM 57 CA ILE A 4 -3.629 -33.542 -0.625 1.00 1.22 C ATOM 58 C ILE A 4 -4.146 -32.215 -0.048 1.00 60.11 C ATOM 59 O ILE A 4 -3.996 -31.164 -0.666 1.00 1.53 O ATOM 60 CB ILE A 4 -4.831 -34.371 -1.223 1.00 42.40 C ATOM 61 CG1 ILE A 4 -4.318 -35.717 -1.830 1.00 32.43 C ATOM 62 CG2 ILE A 4 -5.649 -33.554 -2.268 1.00 11.40 C ATOM 63 CD1 ILE A 4 -3.307 -35.561 -2.954 1.00 44.25 C ATOM 0 H ILE A 4 -3.503 -34.981 0.901 1.00 43.15 H new ATOM 0 HA ILE A 4 -2.924 -33.334 -1.430 1.00 1.22 H new ATOM 0 HB ILE A 4 -5.512 -34.598 -0.403 1.00 42.40 H new ATOM 0 HG12 ILE A 4 -3.868 -36.311 -1.034 1.00 32.43 H new ATOM 0 HG13 ILE A 4 -5.173 -36.281 -2.204 1.00 32.43 H new ATOM 0 HG21 ILE A 4 -6.465 -34.167 -2.651 1.00 11.40 H new ATOM 0 HG22 ILE A 4 -6.057 -32.662 -1.793 1.00 11.40 H new ATOM 0 HG23 ILE A 4 -4.998 -33.261 -3.092 1.00 11.40 H new ATOM 0 HD11 ILE A 4 -3.008 -36.546 -3.313 1.00 44.25 H new ATOM 0 HD12 ILE A 4 -3.756 -34.997 -3.772 1.00 44.25 H new ATOM 0 HD13 ILE A 4 -2.431 -35.028 -2.584 1.00 44.25 H new ATOM 75 N GLU A 5 -4.739 -32.289 1.152 1.00 1.44 N ATOM 76 CA GLU A 5 -5.299 -31.113 1.856 1.00 42.21 C ATOM 77 C GLU A 5 -4.203 -30.093 2.229 1.00 35.32 C ATOM 78 O GLU A 5 -4.449 -28.879 2.208 1.00 53.13 O ATOM 79 CB GLU A 5 -6.093 -31.567 3.111 1.00 13.14 C ATOM 80 CG GLU A 5 -7.260 -32.534 2.815 1.00 13.31 C ATOM 81 CD GLU A 5 -8.274 -31.975 1.798 1.00 41.03 C ATOM 82 OE1 GLU A 5 -9.152 -31.180 2.193 1.00 72.21 O ATOM 83 OE2 GLU A 5 -8.199 -32.338 0.599 1.00 34.15 O ATOM 0 H GLU A 5 -4.847 -33.163 1.667 1.00 1.44 H new ATOM 0 HA GLU A 5 -5.984 -30.608 1.175 1.00 42.21 H new ATOM 0 HB2 GLU A 5 -5.405 -32.049 3.806 1.00 13.14 H new ATOM 0 HB3 GLU A 5 -6.488 -30.685 3.615 1.00 13.14 H new ATOM 0 HG2 GLU A 5 -6.857 -33.473 2.436 1.00 13.31 H new ATOM 0 HG3 GLU A 5 -7.778 -32.762 3.746 1.00 13.31 H new ATOM 90 N LEU A 6 -2.987 -30.597 2.548 1.00 12.50 N ATOM 91 CA LEU A 6 -1.816 -29.733 2.803 1.00 23.24 C ATOM 92 C LEU A 6 -1.322 -29.057 1.503 1.00 51.32 C ATOM 93 O LEU A 6 -0.851 -27.920 1.531 1.00 34.51 O ATOM 94 CB LEU A 6 -0.684 -30.504 3.565 1.00 32.33 C ATOM 95 CG LEU A 6 0.091 -31.689 2.872 1.00 43.13 C ATOM 96 CD1 LEU A 6 1.107 -31.237 1.793 1.00 53.52 C ATOM 97 CD2 LEU A 6 0.803 -32.562 3.928 1.00 34.01 C ATOM 0 H LEU A 6 -2.795 -31.595 2.634 1.00 12.50 H new ATOM 0 HA LEU A 6 -2.130 -28.927 3.467 1.00 23.24 H new ATOM 0 HB2 LEU A 6 0.060 -29.766 3.865 1.00 32.33 H new ATOM 0 HB3 LEU A 6 -1.126 -30.901 4.479 1.00 32.33 H new ATOM 0 HG LEU A 6 -0.670 -32.271 2.352 1.00 43.13 H new ATOM 0 HD11 LEU A 6 1.597 -32.112 1.366 1.00 53.52 H new ATOM 0 HD12 LEU A 6 0.584 -30.693 1.006 1.00 53.52 H new ATOM 0 HD13 LEU A 6 1.855 -30.588 2.247 1.00 53.52 H new ATOM 0 HD21 LEU A 6 1.333 -33.375 3.431 1.00 34.01 H new ATOM 0 HD22 LEU A 6 1.515 -31.952 4.485 1.00 34.01 H new ATOM 0 HD23 LEU A 6 0.065 -32.976 4.615 1.00 34.01 H new ATOM 109 N LEU A 7 -1.447 -29.777 0.370 1.00 40.54 N ATOM 110 CA LEU A 7 -1.095 -29.270 -0.965 1.00 12.11 C ATOM 111 C LEU A 7 -2.069 -28.131 -1.403 1.00 43.51 C ATOM 112 O LEU A 7 -1.646 -27.154 -2.029 1.00 5.31 O ATOM 113 CB LEU A 7 -1.081 -30.482 -1.961 1.00 23.33 C ATOM 114 CG LEU A 7 -0.510 -30.261 -3.412 1.00 3.41 C ATOM 115 CD1 LEU A 7 -1.530 -29.590 -4.357 1.00 33.31 C ATOM 116 CD2 LEU A 7 0.821 -29.474 -3.360 1.00 74.12 C ATOM 0 H LEU A 7 -1.798 -30.734 0.359 1.00 40.54 H new ATOM 0 HA LEU A 7 -0.103 -28.819 -0.956 1.00 12.11 H new ATOM 0 HB2 LEU A 7 -0.506 -31.284 -1.498 1.00 23.33 H new ATOM 0 HB3 LEU A 7 -2.106 -30.841 -2.060 1.00 23.33 H new ATOM 0 HG LEU A 7 -0.310 -31.246 -3.833 1.00 3.41 H new ATOM 0 HD11 LEU A 7 -1.083 -29.462 -5.343 1.00 33.31 H new ATOM 0 HD12 LEU A 7 -2.417 -30.218 -4.439 1.00 33.31 H new ATOM 0 HD13 LEU A 7 -1.811 -28.616 -3.957 1.00 33.31 H new ATOM 0 HD21 LEU A 7 1.199 -29.332 -4.372 1.00 74.12 H new ATOM 0 HD22 LEU A 7 0.651 -28.502 -2.896 1.00 74.12 H new ATOM 0 HD23 LEU A 7 1.551 -30.033 -2.775 1.00 74.12 H new ATOM 128 N ILE A 8 -3.364 -28.264 -1.062 1.00 45.55 N ATOM 129 CA ILE A 8 -4.389 -27.265 -1.386 1.00 31.15 C ATOM 130 C ILE A 8 -4.217 -25.972 -0.561 1.00 34.15 C ATOM 131 O ILE A 8 -4.234 -24.872 -1.128 1.00 62.40 O ATOM 132 CB ILE A 8 -5.810 -27.884 -1.150 1.00 34.20 C ATOM 133 CG1 ILE A 8 -6.021 -29.137 -2.066 1.00 12.44 C ATOM 134 CG2 ILE A 8 -6.929 -26.844 -1.371 1.00 54.53 C ATOM 135 CD1 ILE A 8 -7.262 -29.945 -1.750 1.00 3.13 C ATOM 0 H ILE A 8 -3.726 -29.070 -0.553 1.00 45.55 H new ATOM 0 HA ILE A 8 -4.277 -26.990 -2.435 1.00 31.15 H new ATOM 0 HB ILE A 8 -5.865 -28.202 -0.109 1.00 34.20 H new ATOM 0 HG12 ILE A 8 -6.072 -28.808 -3.104 1.00 12.44 H new ATOM 0 HG13 ILE A 8 -5.149 -29.785 -1.979 1.00 12.44 H new ATOM 0 HG21 ILE A 8 -7.899 -27.311 -1.198 1.00 54.53 H new ATOM 0 HG22 ILE A 8 -6.797 -26.014 -0.677 1.00 54.53 H new ATOM 0 HG23 ILE A 8 -6.883 -26.472 -2.394 1.00 54.53 H new ATOM 0 HD11 ILE A 8 -7.328 -30.792 -2.432 1.00 3.13 H new ATOM 0 HD12 ILE A 8 -7.208 -30.309 -0.724 1.00 3.13 H new ATOM 0 HD13 ILE A 8 -8.145 -29.316 -1.866 1.00 3.13 H new ATOM 147 N VAL A 9 -4.063 -26.103 0.775 1.00 13.03 N ATOM 148 CA VAL A 9 -3.901 -24.954 1.669 1.00 72.24 C ATOM 149 C VAL A 9 -2.590 -24.182 1.381 1.00 74.33 C ATOM 150 O VAL A 9 -2.579 -22.955 1.394 1.00 72.05 O ATOM 151 CB VAL A 9 -3.988 -25.378 3.181 1.00 2.40 C ATOM 152 CG1 VAL A 9 -2.799 -26.248 3.643 1.00 20.04 C ATOM 153 CG2 VAL A 9 -4.173 -24.143 4.081 1.00 35.12 C ATOM 0 H VAL A 9 -4.049 -27.004 1.253 1.00 13.03 H new ATOM 0 HA VAL A 9 -4.731 -24.277 1.468 1.00 72.24 H new ATOM 0 HB VAL A 9 -4.869 -26.013 3.278 1.00 2.40 H new ATOM 0 HG11 VAL A 9 -2.923 -26.504 4.695 1.00 20.04 H new ATOM 0 HG12 VAL A 9 -2.764 -27.161 3.049 1.00 20.04 H new ATOM 0 HG13 VAL A 9 -1.870 -25.694 3.512 1.00 20.04 H new ATOM 0 HG21 VAL A 9 -4.231 -24.458 5.123 1.00 35.12 H new ATOM 0 HG22 VAL A 9 -3.326 -23.469 3.952 1.00 35.12 H new ATOM 0 HG23 VAL A 9 -5.093 -23.627 3.806 1.00 35.12 H new ATOM 163 N VAL A 10 -1.495 -24.913 1.093 1.00 11.44 N ATOM 164 CA VAL A 10 -0.211 -24.297 0.710 1.00 0.21 C ATOM 165 C VAL A 10 -0.313 -23.590 -0.677 1.00 72.23 C ATOM 166 O VAL A 10 0.373 -22.589 -0.912 1.00 1.25 O ATOM 167 CB VAL A 10 0.972 -25.352 0.734 1.00 1.10 C ATOM 168 CG1 VAL A 10 1.068 -26.194 -0.561 1.00 40.04 C ATOM 169 CG2 VAL A 10 2.313 -24.680 1.077 1.00 44.30 C ATOM 0 H VAL A 10 -1.475 -25.932 1.119 1.00 11.44 H new ATOM 0 HA VAL A 10 0.019 -23.534 1.454 1.00 0.21 H new ATOM 0 HB VAL A 10 0.735 -26.058 1.530 1.00 1.10 H new ATOM 0 HG11 VAL A 10 1.898 -26.896 -0.478 1.00 40.04 H new ATOM 0 HG12 VAL A 10 0.139 -26.746 -0.706 1.00 40.04 H new ATOM 0 HG13 VAL A 10 1.234 -25.534 -1.413 1.00 40.04 H new ATOM 0 HG21 VAL A 10 3.104 -25.430 1.086 1.00 44.30 H new ATOM 0 HG22 VAL A 10 2.541 -23.920 0.329 1.00 44.30 H new ATOM 0 HG23 VAL A 10 2.245 -24.213 2.060 1.00 44.30 H new ATOM 179 N ALA A 11 -1.195 -24.104 -1.579 1.00 54.13 N ATOM 180 CA ALA A 11 -1.425 -23.493 -2.911 1.00 30.34 C ATOM 181 C ALA A 11 -2.145 -22.133 -2.795 1.00 10.01 C ATOM 182 O ALA A 11 -1.661 -21.132 -3.324 1.00 12.10 O ATOM 183 CB ALA A 11 -2.220 -24.446 -3.823 1.00 34.44 C ATOM 0 H ALA A 11 -1.755 -24.938 -1.404 1.00 54.13 H new ATOM 0 HA ALA A 11 -0.448 -23.317 -3.361 1.00 30.34 H new ATOM 0 HB1 ALA A 11 -2.376 -23.975 -4.794 1.00 34.44 H new ATOM 0 HB2 ALA A 11 -1.662 -25.373 -3.955 1.00 34.44 H new ATOM 0 HB3 ALA A 11 -3.185 -24.665 -3.367 1.00 34.44 H new ATOM 189 N ILE A 12 -3.295 -22.104 -2.079 1.00 45.51 N ATOM 190 CA ILE A 12 -4.096 -20.874 -1.903 1.00 42.32 C ATOM 191 C ILE A 12 -3.299 -19.782 -1.146 1.00 11.53 C ATOM 192 O ILE A 12 -3.319 -18.624 -1.555 1.00 23.22 O ATOM 193 CB ILE A 12 -5.485 -21.165 -1.203 1.00 71.13 C ATOM 194 CG1 ILE A 12 -5.302 -21.744 0.239 1.00 11.22 C ATOM 195 CG2 ILE A 12 -6.350 -22.112 -2.083 1.00 32.33 C ATOM 196 CD1 ILE A 12 -6.584 -22.124 0.960 1.00 50.53 C ATOM 0 H ILE A 12 -3.687 -22.923 -1.614 1.00 45.51 H new ATOM 0 HA ILE A 12 -4.315 -20.492 -2.900 1.00 42.32 H new ATOM 0 HB ILE A 12 -6.009 -20.215 -1.100 1.00 71.13 H new ATOM 0 HG12 ILE A 12 -4.665 -22.626 0.179 1.00 11.22 H new ATOM 0 HG13 ILE A 12 -4.771 -21.008 0.842 1.00 11.22 H new ATOM 0 HG21 ILE A 12 -7.302 -22.302 -1.587 1.00 32.33 H new ATOM 0 HG22 ILE A 12 -6.532 -21.644 -3.050 1.00 32.33 H new ATOM 0 HG23 ILE A 12 -5.823 -23.055 -2.229 1.00 32.33 H new ATOM 0 HD11 ILE A 12 -6.343 -22.514 1.949 1.00 50.53 H new ATOM 0 HD12 ILE A 12 -7.219 -21.244 1.061 1.00 50.53 H new ATOM 0 HD13 ILE A 12 -7.111 -22.888 0.388 1.00 50.53 H new ATOM 208 N ILE A 13 -2.547 -20.190 -0.086 1.00 31.22 N ATOM 209 CA ILE A 13 -1.632 -19.309 0.676 1.00 72.43 C ATOM 210 C ILE A 13 -0.498 -18.762 -0.232 1.00 75.22 C ATOM 211 O ILE A 13 -0.083 -17.600 -0.088 1.00 33.32 O ATOM 212 CB ILE A 13 -1.040 -20.095 1.927 1.00 21.24 C ATOM 213 CG1 ILE A 13 -2.137 -20.279 3.036 1.00 2.35 C ATOM 214 CG2 ILE A 13 0.237 -19.437 2.509 1.00 44.22 C ATOM 215 CD1 ILE A 13 -1.707 -21.115 4.236 1.00 32.25 C ATOM 0 H ILE A 13 -2.563 -21.149 0.262 1.00 31.22 H new ATOM 0 HA ILE A 13 -2.197 -18.451 1.041 1.00 72.43 H new ATOM 0 HB ILE A 13 -0.738 -21.078 1.565 1.00 21.24 H new ATOM 0 HG12 ILE A 13 -2.443 -19.294 3.389 1.00 2.35 H new ATOM 0 HG13 ILE A 13 -3.014 -20.743 2.585 1.00 2.35 H new ATOM 0 HG21 ILE A 13 0.592 -20.020 3.359 1.00 44.22 H new ATOM 0 HG22 ILE A 13 1.011 -19.405 1.743 1.00 44.22 H new ATOM 0 HG23 ILE A 13 0.007 -18.423 2.835 1.00 44.22 H new ATOM 0 HD11 ILE A 13 -2.532 -21.184 4.945 1.00 32.25 H new ATOM 0 HD12 ILE A 13 -1.430 -22.115 3.902 1.00 32.25 H new ATOM 0 HD13 ILE A 13 -0.851 -20.644 4.719 1.00 32.25 H new ATOM 227 N GLY A 14 -0.029 -19.613 -1.176 1.00 74.25 N ATOM 228 CA GLY A 14 0.965 -19.214 -2.186 1.00 43.51 C ATOM 229 C GLY A 14 0.507 -18.031 -3.051 1.00 74.41 C ATOM 230 O GLY A 14 1.311 -17.156 -3.397 1.00 24.11 O ATOM 0 H GLY A 14 -0.329 -20.585 -1.254 1.00 74.25 H new ATOM 0 HA2 GLY A 14 1.897 -18.950 -1.685 1.00 43.51 H new ATOM 0 HA3 GLY A 14 1.180 -20.066 -2.831 1.00 43.51 H new ATOM 234 N ILE A 15 -0.807 -17.991 -3.368 1.00 34.44 N ATOM 235 CA ILE A 15 -1.422 -16.875 -4.114 1.00 71.44 C ATOM 236 C ILE A 15 -1.602 -15.656 -3.186 1.00 31.11 C ATOM 237 O ILE A 15 -1.281 -14.540 -3.581 1.00 32.31 O ATOM 238 CB ILE A 15 -2.807 -17.297 -4.790 1.00 23.00 C ATOM 239 CG1 ILE A 15 -2.586 -18.130 -6.110 1.00 24.03 C ATOM 240 CG2 ILE A 15 -3.717 -16.070 -5.092 1.00 44.12 C ATOM 241 CD1 ILE A 15 -1.865 -19.457 -5.955 1.00 72.41 C ATOM 0 H ILE A 15 -1.465 -18.728 -3.115 1.00 34.44 H new ATOM 0 HA ILE A 15 -0.748 -16.602 -4.926 1.00 71.44 H new ATOM 0 HB ILE A 15 -3.315 -17.926 -4.059 1.00 23.00 H new ATOM 0 HG12 ILE A 15 -3.560 -18.320 -6.562 1.00 24.03 H new ATOM 0 HG13 ILE A 15 -2.024 -17.515 -6.813 1.00 24.03 H new ATOM 0 HG21 ILE A 15 -4.646 -16.410 -5.551 1.00 44.12 H new ATOM 0 HG22 ILE A 15 -3.942 -15.546 -4.163 1.00 44.12 H new ATOM 0 HG23 ILE A 15 -3.202 -15.394 -5.774 1.00 44.12 H new ATOM 0 HD11 ILE A 15 -1.773 -19.937 -6.929 1.00 72.41 H new ATOM 0 HD12 ILE A 15 -0.872 -19.285 -5.540 1.00 72.41 H new ATOM 0 HD13 ILE A 15 -2.432 -20.103 -5.285 1.00 72.41 H new ATOM 253 N LEU A 16 -2.065 -15.895 -1.933 1.00 10.13 N ATOM 254 CA LEU A 16 -2.356 -14.810 -0.956 1.00 43.32 C ATOM 255 C LEU A 16 -1.110 -13.959 -0.651 1.00 53.52 C ATOM 256 O LEU A 16 -1.220 -12.749 -0.470 1.00 62.34 O ATOM 257 CB LEU A 16 -2.925 -15.377 0.375 1.00 51.33 C ATOM 258 CG LEU A 16 -4.197 -16.276 0.265 1.00 53.23 C ATOM 259 CD1 LEU A 16 -4.783 -16.624 1.653 1.00 71.53 C ATOM 260 CD2 LEU A 16 -5.258 -15.658 -0.674 1.00 22.11 C ATOM 0 H LEU A 16 -2.246 -16.832 -1.573 1.00 10.13 H new ATOM 0 HA LEU A 16 -3.107 -14.174 -1.424 1.00 43.32 H new ATOM 0 HB2 LEU A 16 -2.140 -15.956 0.862 1.00 51.33 H new ATOM 0 HB3 LEU A 16 -3.156 -14.538 1.031 1.00 51.33 H new ATOM 0 HG LEU A 16 -3.883 -17.217 -0.187 1.00 53.23 H new ATOM 0 HD11 LEU A 16 -5.666 -17.250 1.528 1.00 71.53 H new ATOM 0 HD12 LEU A 16 -4.037 -17.161 2.239 1.00 71.53 H new ATOM 0 HD13 LEU A 16 -5.059 -15.706 2.172 1.00 71.53 H new ATOM 0 HD21 LEU A 16 -6.127 -16.314 -0.723 1.00 22.11 H new ATOM 0 HD22 LEU A 16 -5.560 -14.684 -0.290 1.00 22.11 H new ATOM 0 HD23 LEU A 16 -4.836 -15.540 -1.672 1.00 22.11 H new ATOM 272 N ALA A 17 0.062 -14.606 -0.598 1.00 13.32 N ATOM 273 CA ALA A 17 1.348 -13.911 -0.420 1.00 60.31 C ATOM 274 C ALA A 17 1.748 -13.184 -1.725 1.00 43.23 C ATOM 275 O ALA A 17 1.975 -11.973 -1.727 1.00 62.02 O ATOM 276 CB ALA A 17 2.426 -14.913 0.017 1.00 33.31 C ATOM 0 H ALA A 17 0.148 -15.619 -0.677 1.00 13.32 H new ATOM 0 HA ALA A 17 1.247 -13.158 0.362 1.00 60.31 H new ATOM 0 HB1 ALA A 17 3.375 -14.393 0.147 1.00 33.31 H new ATOM 0 HB2 ALA A 17 2.133 -15.374 0.960 1.00 33.31 H new ATOM 0 HB3 ALA A 17 2.536 -15.684 -0.745 1.00 33.31 H new ATOM 282 N ALA A 18 1.750 -13.935 -2.845 1.00 11.24 N ATOM 283 CA ALA A 18 2.142 -13.432 -4.189 1.00 30.45 C ATOM 284 C ALA A 18 1.362 -12.160 -4.625 1.00 23.12 C ATOM 285 O ALA A 18 1.893 -11.343 -5.381 1.00 35.52 O ATOM 286 CB ALA A 18 1.970 -14.551 -5.235 1.00 32.42 C ATOM 0 H ALA A 18 1.478 -14.918 -2.848 1.00 11.24 H new ATOM 0 HA ALA A 18 3.190 -13.138 -4.123 1.00 30.45 H new ATOM 0 HB1 ALA A 18 2.258 -14.178 -6.218 1.00 32.42 H new ATOM 0 HB2 ALA A 18 2.602 -15.398 -4.969 1.00 32.42 H new ATOM 0 HB3 ALA A 18 0.928 -14.869 -5.259 1.00 32.42 H new ATOM 292 N ILE A 19 0.106 -12.008 -4.158 1.00 55.22 N ATOM 293 CA ILE A 19 -0.708 -10.794 -4.420 1.00 30.44 C ATOM 294 C ILE A 19 -0.484 -9.703 -3.356 1.00 11.31 C ATOM 295 O ILE A 19 -0.455 -8.523 -3.690 1.00 15.24 O ATOM 296 CB ILE A 19 -2.246 -11.117 -4.600 1.00 51.53 C ATOM 297 CG1 ILE A 19 -2.890 -11.843 -3.364 1.00 43.32 C ATOM 298 CG2 ILE A 19 -2.475 -11.930 -5.898 1.00 72.50 C ATOM 299 CD1 ILE A 19 -3.420 -10.917 -2.289 1.00 73.04 C ATOM 0 H ILE A 19 -0.372 -12.712 -3.595 1.00 55.22 H new ATOM 0 HA ILE A 19 -0.356 -10.398 -5.372 1.00 30.44 H new ATOM 0 HB ILE A 19 -2.755 -10.156 -4.676 1.00 51.53 H new ATOM 0 HG12 ILE A 19 -3.707 -12.474 -3.716 1.00 43.32 H new ATOM 0 HG13 ILE A 19 -2.145 -12.504 -2.920 1.00 43.32 H new ATOM 0 HG21 ILE A 19 -3.538 -12.146 -6.010 1.00 72.50 H new ATOM 0 HG22 ILE A 19 -2.130 -11.352 -6.755 1.00 72.50 H new ATOM 0 HG23 ILE A 19 -1.919 -12.866 -5.844 1.00 72.50 H new ATOM 0 HD11 ILE A 19 -3.845 -11.507 -1.477 1.00 73.04 H new ATOM 0 HD12 ILE A 19 -2.606 -10.303 -1.903 1.00 73.04 H new ATOM 0 HD13 ILE A 19 -4.191 -10.273 -2.711 1.00 73.04 H new ATOM 311 N ALA A 20 -0.287 -10.106 -2.092 1.00 60.14 N ATOM 312 CA ALA A 20 -0.253 -9.170 -0.945 1.00 72.31 C ATOM 313 C ALA A 20 1.007 -8.311 -0.918 1.00 64.51 C ATOM 314 O ALA A 20 0.916 -7.120 -0.651 1.00 11.34 O ATOM 315 CB ALA A 20 -0.407 -9.914 0.382 1.00 12.01 C ATOM 0 H ALA A 20 -0.147 -11.082 -1.831 1.00 60.14 H new ATOM 0 HA ALA A 20 -1.102 -8.499 -1.079 1.00 72.31 H new ATOM 0 HB1 ALA A 20 -0.378 -9.200 1.205 1.00 12.01 H new ATOM 0 HB2 ALA A 20 -1.360 -10.443 0.394 1.00 12.01 H new ATOM 0 HB3 ALA A 20 0.407 -10.630 0.494 1.00 12.01 H new ATOM 321 N ILE A 21 2.174 -8.921 -1.185 1.00 52.42 N ATOM 322 CA ILE A 21 3.474 -8.205 -1.154 1.00 64.53 C ATOM 323 C ILE A 21 3.480 -6.978 -2.129 1.00 42.51 C ATOM 324 O ILE A 21 3.754 -5.867 -1.679 1.00 1.24 O ATOM 325 CB ILE A 21 4.719 -9.174 -1.389 1.00 23.00 C ATOM 326 CG1 ILE A 21 5.057 -10.009 -0.102 1.00 22.33 C ATOM 327 CG2 ILE A 21 5.970 -8.400 -1.886 1.00 61.53 C ATOM 328 CD1 ILE A 21 4.025 -11.040 0.319 1.00 21.43 C ATOM 0 H ILE A 21 2.250 -9.909 -1.426 1.00 52.42 H new ATOM 0 HA ILE A 21 3.591 -7.813 -0.144 1.00 64.53 H new ATOM 0 HB ILE A 21 4.427 -9.872 -2.174 1.00 23.00 H new ATOM 0 HG12 ILE A 21 6.006 -10.521 -0.265 1.00 22.33 H new ATOM 0 HG13 ILE A 21 5.207 -9.316 0.726 1.00 22.33 H new ATOM 0 HG21 ILE A 21 6.795 -9.097 -2.033 1.00 61.53 H new ATOM 0 HG22 ILE A 21 5.740 -7.905 -2.830 1.00 61.53 H new ATOM 0 HG23 ILE A 21 6.254 -7.653 -1.144 1.00 61.53 H new ATOM 0 HD11 ILE A 21 4.368 -11.552 1.218 1.00 21.43 H new ATOM 0 HD12 ILE A 21 3.077 -10.543 0.524 1.00 21.43 H new ATOM 0 HD13 ILE A 21 3.888 -11.766 -0.482 1.00 21.43 H new ATOM 340 N PRO A 22 3.156 -7.128 -3.468 1.00 41.04 N ATOM 341 CA PRO A 22 3.013 -5.951 -4.371 1.00 24.01 C ATOM 342 C PRO A 22 1.836 -5.020 -3.988 1.00 62.00 C ATOM 343 O PRO A 22 1.966 -3.797 -4.070 1.00 4.24 O ATOM 344 CB PRO A 22 2.768 -6.577 -5.760 1.00 44.43 C ATOM 345 CG PRO A 22 2.240 -7.946 -5.468 1.00 75.15 C ATOM 346 CD PRO A 22 2.949 -8.399 -4.218 1.00 41.23 C ATOM 0 HA PRO A 22 3.896 -5.313 -4.321 1.00 24.01 H new ATOM 0 HB2 PRO A 22 2.053 -5.991 -6.338 1.00 44.43 H new ATOM 0 HB3 PRO A 22 3.688 -6.623 -6.342 1.00 44.43 H new ATOM 0 HG2 PRO A 22 1.160 -7.926 -5.320 1.00 75.15 H new ATOM 0 HG3 PRO A 22 2.435 -8.626 -6.297 1.00 75.15 H new ATOM 0 HD2 PRO A 22 2.349 -9.110 -3.649 1.00 41.23 H new ATOM 0 HD3 PRO A 22 3.894 -8.891 -4.446 1.00 41.23 H new ATOM 354 N GLN A 23 0.691 -5.614 -3.578 1.00 53.55 N ATOM 355 CA GLN A 23 -0.554 -4.845 -3.268 1.00 60.31 C ATOM 356 C GLN A 23 -0.336 -3.922 -2.047 1.00 11.43 C ATOM 357 O GLN A 23 -0.928 -2.846 -1.954 1.00 31.34 O ATOM 358 CB GLN A 23 -1.793 -5.809 -3.043 1.00 75.53 C ATOM 359 CG GLN A 23 -2.336 -5.906 -1.590 1.00 44.32 C ATOM 360 CD GLN A 23 -3.614 -6.735 -1.450 1.00 25.50 C ATOM 361 OE1 GLN A 23 -3.848 -7.682 -2.189 1.00 43.24 O ATOM 362 NE2 GLN A 23 -4.459 -6.367 -0.506 1.00 54.32 N ATOM 0 H GLN A 23 0.596 -6.622 -3.452 1.00 53.55 H new ATOM 0 HA GLN A 23 -0.783 -4.220 -4.131 1.00 60.31 H new ATOM 0 HB2 GLN A 23 -2.605 -5.479 -3.690 1.00 75.53 H new ATOM 0 HB3 GLN A 23 -1.512 -6.810 -3.370 1.00 75.53 H new ATOM 0 HG2 GLN A 23 -1.564 -6.340 -0.954 1.00 44.32 H new ATOM 0 HG3 GLN A 23 -2.527 -4.899 -1.218 1.00 44.32 H new ATOM 0 HE21 GLN A 23 -4.238 -5.574 0.096 1.00 54.32 H new ATOM 0 HE22 GLN A 23 -5.334 -6.876 -0.378 1.00 54.32 H new ATOM 371 N PHE A 24 0.552 -4.359 -1.144 1.00 13.22 N ATOM 372 CA PHE A 24 0.796 -3.685 0.156 1.00 11.14 C ATOM 373 C PHE A 24 2.009 -2.746 0.074 1.00 70.31 C ATOM 374 O PHE A 24 2.008 -1.667 0.675 1.00 32.23 O ATOM 375 CB PHE A 24 0.990 -4.732 1.272 1.00 53.21 C ATOM 376 CG PHE A 24 1.267 -4.150 2.663 1.00 42.00 C ATOM 377 CD1 PHE A 24 0.275 -3.449 3.353 1.00 3.45 C ATOM 378 CD2 PHE A 24 2.514 -4.299 3.278 1.00 31.54 C ATOM 379 CE1 PHE A 24 0.523 -2.920 4.606 1.00 24.24 C ATOM 380 CE2 PHE A 24 2.756 -3.770 4.531 1.00 21.55 C ATOM 381 CZ PHE A 24 1.759 -3.080 5.194 1.00 42.12 C ATOM 0 H PHE A 24 1.126 -5.190 -1.286 1.00 13.22 H new ATOM 0 HA PHE A 24 -0.078 -3.078 0.395 1.00 11.14 H new ATOM 0 HB2 PHE A 24 0.096 -5.354 1.326 1.00 53.21 H new ATOM 0 HB3 PHE A 24 1.817 -5.386 0.997 1.00 53.21 H new ATOM 0 HD1 PHE A 24 -0.698 -3.319 2.902 1.00 3.45 H new ATOM 0 HD2 PHE A 24 3.299 -4.835 2.766 1.00 31.54 H new ATOM 0 HE1 PHE A 24 -0.254 -2.380 5.126 1.00 24.24 H new ATOM 0 HE2 PHE A 24 3.724 -3.896 4.992 1.00 21.55 H new ATOM 0 HZ PHE A 24 1.949 -2.666 6.173 1.00 42.12 H new ATOM 391 N SER A 25 3.048 -3.177 -0.666 1.00 20.03 N ATOM 392 CA SER A 25 4.234 -2.340 -0.937 1.00 50.31 C ATOM 393 C SER A 25 3.799 -1.082 -1.701 1.00 1.14 C ATOM 394 O SER A 25 3.969 0.026 -1.210 1.00 60.43 O ATOM 395 CB SER A 25 5.304 -3.126 -1.731 1.00 3.21 C ATOM 396 OG SER A 25 6.440 -2.321 -2.018 1.00 51.30 O ATOM 0 H SER A 25 3.090 -4.104 -1.089 1.00 20.03 H new ATOM 0 HA SER A 25 4.686 -2.048 0.011 1.00 50.31 H new ATOM 0 HB2 SER A 25 5.613 -4.001 -1.159 1.00 3.21 H new ATOM 0 HB3 SER A 25 4.871 -3.491 -2.663 1.00 3.21 H new ATOM 0 HG SER A 25 7.097 -2.849 -2.519 1.00 51.30 H new ATOM 402 N ALA A 26 3.155 -1.290 -2.870 1.00 33.31 N ATOM 403 CA ALA A 26 2.611 -0.199 -3.713 1.00 52.04 C ATOM 404 C ALA A 26 1.489 0.603 -3.002 1.00 5.22 C ATOM 405 O ALA A 26 1.224 1.743 -3.381 1.00 62.12 O ATOM 406 CB ALA A 26 2.105 -0.757 -5.052 1.00 64.23 C ATOM 0 H ALA A 26 2.997 -2.220 -3.258 1.00 33.31 H new ATOM 0 HA ALA A 26 3.430 0.496 -3.899 1.00 52.04 H new ATOM 0 HB1 ALA A 26 1.709 0.057 -5.659 1.00 64.23 H new ATOM 0 HB2 ALA A 26 2.929 -1.236 -5.581 1.00 64.23 H new ATOM 0 HB3 ALA A 26 1.318 -1.488 -4.867 1.00 64.23 H new ATOM 412 N TYR A 27 0.831 -0.004 -1.979 1.00 53.14 N ATOM 413 CA TYR A 27 -0.163 0.710 -1.131 1.00 33.12 C ATOM 414 C TYR A 27 0.531 1.794 -0.282 1.00 4.03 C ATOM 415 O TYR A 27 0.083 2.942 -0.218 1.00 53.11 O ATOM 416 CB TYR A 27 -0.872 -0.291 -0.195 1.00 13.12 C ATOM 417 CG TYR A 27 -2.022 0.295 0.646 1.00 0.54 C ATOM 418 CD1 TYR A 27 -3.281 0.534 0.081 1.00 74.35 C ATOM 419 CD2 TYR A 27 -1.853 0.618 2.001 1.00 14.41 C ATOM 420 CE1 TYR A 27 -4.321 1.060 0.828 1.00 14.23 C ATOM 421 CE2 TYR A 27 -2.891 1.144 2.748 1.00 50.32 C ATOM 422 CZ TYR A 27 -4.119 1.366 2.158 1.00 51.14 C ATOM 423 OH TYR A 27 -5.156 1.896 2.906 1.00 40.10 O ATOM 0 H TYR A 27 0.970 -0.981 -1.722 1.00 53.14 H new ATOM 0 HA TYR A 27 -0.895 1.183 -1.785 1.00 33.12 H new ATOM 0 HB2 TYR A 27 -1.265 -1.110 -0.797 1.00 13.12 H new ATOM 0 HB3 TYR A 27 -0.131 -0.719 0.481 1.00 13.12 H new ATOM 0 HD1 TYR A 27 -3.444 0.303 -0.961 1.00 74.35 H new ATOM 0 HD2 TYR A 27 -0.894 0.453 2.469 1.00 14.41 H new ATOM 0 HE1 TYR A 27 -5.285 1.230 0.372 1.00 14.23 H new ATOM 0 HE2 TYR A 27 -2.741 1.381 3.791 1.00 50.32 H new ATOM 0 HH TYR A 27 -4.850 2.054 3.824 1.00 40.10 H new ATOM 433 N ARG A 28 1.628 1.397 0.382 1.00 71.14 N ATOM 434 CA ARG A 28 2.437 2.306 1.210 1.00 53.41 C ATOM 435 C ARG A 28 3.260 3.267 0.352 1.00 72.53 C ATOM 436 O ARG A 28 3.573 4.357 0.800 1.00 41.44 O ATOM 437 CB ARG A 28 3.371 1.506 2.147 1.00 0.52 C ATOM 438 CG ARG A 28 2.640 0.616 3.171 1.00 41.23 C ATOM 439 CD ARG A 28 3.615 -0.117 4.111 1.00 21.44 C ATOM 440 NE ARG A 28 4.497 0.817 4.832 1.00 23.32 N ATOM 441 CZ ARG A 28 5.404 0.483 5.718 1.00 74.20 C ATOM 442 NH1 ARG A 28 5.586 -0.748 6.072 1.00 22.10 N ATOM 443 NH2 ARG A 28 6.140 1.397 6.243 1.00 11.34 N ATOM 0 H ARG A 28 1.979 0.439 0.360 1.00 71.14 H new ATOM 0 HA ARG A 28 1.747 2.896 1.813 1.00 53.41 H new ATOM 0 HB2 ARG A 28 4.023 0.879 1.540 1.00 0.52 H new ATOM 0 HB3 ARG A 28 4.011 2.205 2.684 1.00 0.52 H new ATOM 0 HG2 ARG A 28 1.961 1.230 3.763 1.00 41.23 H new ATOM 0 HG3 ARG A 28 2.029 -0.116 2.642 1.00 41.23 H new ATOM 0 HD2 ARG A 28 3.049 -0.709 4.830 1.00 21.44 H new ATOM 0 HD3 ARG A 28 4.221 -0.814 3.532 1.00 21.44 H new ATOM 0 HE ARG A 28 4.393 1.810 4.624 1.00 23.32 H new ATOM 0 HH11 ARG A 28 5.017 -1.487 5.659 1.00 22.10 H new ATOM 0 HH12 ARG A 28 6.299 -0.980 6.764 1.00 22.10 H new ATOM 0 HH21 ARG A 28 6.016 2.372 5.969 1.00 11.34 H new ATOM 0 HH22 ARG A 28 6.848 1.147 6.933 1.00 11.34 H new ATOM 457 N VAL A 29 3.600 2.849 -0.879 1.00 34.15 N ATOM 458 CA VAL A 29 4.373 3.699 -1.823 1.00 21.34 C ATOM 459 C VAL A 29 3.485 4.820 -2.389 1.00 73.52 C ATOM 460 O VAL A 29 3.909 5.978 -2.477 1.00 14.41 O ATOM 461 CB VAL A 29 5.032 2.860 -2.993 1.00 24.51 C ATOM 462 CG1 VAL A 29 5.641 3.764 -4.100 1.00 3.34 C ATOM 463 CG2 VAL A 29 6.105 1.892 -2.442 1.00 12.32 C ATOM 0 H VAL A 29 3.356 1.931 -1.250 1.00 34.15 H new ATOM 0 HA VAL A 29 5.190 4.146 -1.257 1.00 21.34 H new ATOM 0 HB VAL A 29 4.231 2.279 -3.451 1.00 24.51 H new ATOM 0 HG11 VAL A 29 6.080 3.140 -4.879 1.00 3.34 H new ATOM 0 HG12 VAL A 29 4.858 4.387 -4.533 1.00 3.34 H new ATOM 0 HG13 VAL A 29 6.413 4.400 -3.667 1.00 3.34 H new ATOM 0 HG21 VAL A 29 6.543 1.327 -3.265 1.00 12.32 H new ATOM 0 HG22 VAL A 29 6.885 2.462 -1.938 1.00 12.32 H new ATOM 0 HG23 VAL A 29 5.644 1.203 -1.734 1.00 12.32 H new ATOM 473 N LYS A 30 2.239 4.469 -2.747 1.00 14.42 N ATOM 474 CA LYS A 30 1.259 5.452 -3.250 1.00 70.13 C ATOM 475 C LYS A 30 0.841 6.411 -2.119 1.00 15.44 C ATOM 476 O LYS A 30 0.535 7.559 -2.386 1.00 3.44 O ATOM 477 CB LYS A 30 0.005 4.758 -3.867 1.00 45.45 C ATOM 478 CG LYS A 30 -1.072 4.319 -2.849 1.00 43.32 C ATOM 479 CD LYS A 30 -2.216 3.484 -3.472 1.00 74.11 C ATOM 480 CE LYS A 30 -3.054 4.267 -4.500 1.00 64.11 C ATOM 481 NZ LYS A 30 -3.740 5.436 -3.895 1.00 5.14 N ATOM 0 H LYS A 30 1.885 3.514 -2.698 1.00 14.42 H new ATOM 0 HA LYS A 30 1.740 6.023 -4.044 1.00 70.13 H new ATOM 0 HB2 LYS A 30 -0.452 5.440 -4.584 1.00 45.45 H new ATOM 0 HB3 LYS A 30 0.333 3.881 -4.426 1.00 45.45 H new ATOM 0 HG2 LYS A 30 -0.597 3.736 -2.060 1.00 43.32 H new ATOM 0 HG3 LYS A 30 -1.497 5.206 -2.378 1.00 43.32 H new ATOM 0 HD2 LYS A 30 -1.792 2.604 -3.955 1.00 74.11 H new ATOM 0 HD3 LYS A 30 -2.870 3.127 -2.677 1.00 74.11 H new ATOM 0 HE2 LYS A 30 -2.407 4.607 -5.309 1.00 64.11 H new ATOM 0 HE3 LYS A 30 -3.796 3.602 -4.942 1.00 64.11 H new ATOM 0 HZ1 LYS A 30 -4.370 5.871 -4.599 1.00 5.14 H new ATOM 0 HZ2 LYS A 30 -4.299 5.124 -3.075 1.00 5.14 H new ATOM 0 HZ3 LYS A 30 -3.032 6.133 -3.587 1.00 5.14 H new ATOM 495 N ALA A 31 0.852 5.916 -0.854 1.00 32.53 N ATOM 496 CA ALA A 31 0.460 6.719 0.328 1.00 20.45 C ATOM 497 C ALA A 31 1.612 7.636 0.773 1.00 74.10 C ATOM 498 O ALA A 31 1.387 8.767 1.203 1.00 64.32 O ATOM 499 CB ALA A 31 0.020 5.801 1.484 1.00 63.42 C ATOM 0 H ALA A 31 1.130 4.961 -0.629 1.00 32.53 H new ATOM 0 HA ALA A 31 -0.385 7.348 0.047 1.00 20.45 H new ATOM 0 HB1 ALA A 31 -0.264 6.409 2.343 1.00 63.42 H new ATOM 0 HB2 ALA A 31 -0.832 5.200 1.167 1.00 63.42 H new ATOM 0 HB3 ALA A 31 0.845 5.144 1.761 1.00 63.42 H new ATOM 505 N TYR A 32 2.852 7.139 0.622 1.00 73.13 N ATOM 506 CA TYR A 32 4.083 7.873 1.010 1.00 3.22 C ATOM 507 C TYR A 32 4.363 9.035 0.033 1.00 31.34 C ATOM 508 O TYR A 32 5.088 9.974 0.356 1.00 43.14 O ATOM 509 CB TYR A 32 5.289 6.891 1.062 1.00 13.02 C ATOM 510 CG TYR A 32 6.544 7.443 1.766 1.00 12.01 C ATOM 511 CD1 TYR A 32 6.580 7.575 3.159 1.00 22.12 C ATOM 512 CD2 TYR A 32 7.672 7.842 1.044 1.00 62.33 C ATOM 513 CE1 TYR A 32 7.696 8.084 3.798 1.00 64.43 C ATOM 514 CE2 TYR A 32 8.788 8.347 1.682 1.00 24.24 C ATOM 515 CZ TYR A 32 8.795 8.469 3.056 1.00 74.25 C ATOM 516 OH TYR A 32 9.903 8.988 3.694 1.00 71.12 O ATOM 0 H TYR A 32 3.036 6.216 0.228 1.00 73.13 H new ATOM 0 HA TYR A 32 3.936 8.302 2.001 1.00 3.22 H new ATOM 0 HB2 TYR A 32 4.975 5.980 1.571 1.00 13.02 H new ATOM 0 HB3 TYR A 32 5.555 6.611 0.043 1.00 13.02 H new ATOM 0 HD1 TYR A 32 5.723 7.275 3.744 1.00 22.12 H new ATOM 0 HD2 TYR A 32 7.671 7.754 -0.032 1.00 62.33 H new ATOM 0 HE1 TYR A 32 7.708 8.180 4.874 1.00 64.43 H new ATOM 0 HE2 TYR A 32 9.652 8.645 1.107 1.00 24.24 H new ATOM 0 HH TYR A 32 10.589 9.208 3.030 1.00 71.12 H new ATOM 526 N ASN A 33 3.791 8.926 -1.171 1.00 32.52 N ATOM 527 CA ASN A 33 3.848 9.977 -2.208 1.00 55.34 C ATOM 528 C ASN A 33 2.607 10.895 -2.158 1.00 3.00 C ATOM 529 O ASN A 33 2.738 12.118 -2.225 1.00 42.41 O ATOM 530 CB ASN A 33 3.990 9.351 -3.615 1.00 54.40 C ATOM 531 CG ASN A 33 5.315 8.611 -3.836 1.00 2.21 C ATOM 532 OD1 ASN A 33 5.892 8.039 -2.920 1.00 75.11 O ATOM 533 ND2 ASN A 33 5.810 8.617 -5.060 1.00 73.04 N ATOM 0 H ASN A 33 3.269 8.099 -1.462 1.00 32.52 H new ATOM 0 HA ASN A 33 4.727 10.588 -2.002 1.00 55.34 H new ATOM 0 HB2 ASN A 33 3.166 8.656 -3.778 1.00 54.40 H new ATOM 0 HB3 ASN A 33 3.896 10.138 -4.363 1.00 54.40 H new ATOM 0 HD21 ASN A 33 6.689 8.139 -5.257 1.00 73.04 H new ATOM 0 HD22 ASN A 33 5.313 9.100 -5.809 1.00 73.04 H new ATOM 540 N SER A 34 1.407 10.288 -2.044 1.00 13.11 N ATOM 541 CA SER A 34 0.114 11.039 -2.057 1.00 13.51 C ATOM 542 C SER A 34 -0.021 11.962 -0.835 1.00 61.14 C ATOM 543 O SER A 34 -0.239 13.171 -0.982 1.00 12.11 O ATOM 544 CB SER A 34 -1.096 10.075 -2.099 1.00 12.20 C ATOM 545 OG SER A 34 -2.336 10.772 -2.060 1.00 45.30 O ATOM 0 H SER A 34 1.297 9.279 -1.941 1.00 13.11 H new ATOM 0 HA SER A 34 0.120 11.649 -2.960 1.00 13.51 H new ATOM 0 HB2 SER A 34 -1.048 9.472 -3.006 1.00 12.20 H new ATOM 0 HB3 SER A 34 -1.040 9.387 -1.255 1.00 12.20 H new ATOM 0 HG SER A 34 -3.074 10.128 -2.090 1.00 45.30 H new ATOM 551 N ALA A 35 0.111 11.369 0.371 1.00 14.11 N ATOM 552 CA ALA A 35 0.028 12.109 1.643 1.00 54.52 C ATOM 553 C ALA A 35 1.140 13.160 1.758 1.00 61.22 C ATOM 554 O ALA A 35 0.888 14.251 2.242 1.00 30.13 O ATOM 555 CB ALA A 35 0.090 11.153 2.838 1.00 52.03 C ATOM 0 H ALA A 35 0.277 10.369 0.487 1.00 14.11 H new ATOM 0 HA ALA A 35 -0.932 12.625 1.652 1.00 54.52 H new ATOM 0 HB1 ALA A 35 0.027 11.724 3.764 1.00 52.03 H new ATOM 0 HB2 ALA A 35 -0.743 10.452 2.786 1.00 52.03 H new ATOM 0 HB3 ALA A 35 1.030 10.602 2.815 1.00 52.03 H new ATOM 561 N ALA A 36 2.364 12.813 1.296 1.00 31.02 N ATOM 562 CA ALA A 36 3.530 13.733 1.314 1.00 44.14 C ATOM 563 C ALA A 36 3.272 14.989 0.466 1.00 31.34 C ATOM 564 O ALA A 36 3.274 16.101 0.982 1.00 4.21 O ATOM 565 CB ALA A 36 4.782 13.012 0.805 1.00 51.34 C ATOM 0 H ALA A 36 2.572 11.895 0.903 1.00 31.02 H new ATOM 0 HA ALA A 36 3.686 14.047 2.346 1.00 44.14 H new ATOM 0 HB1 ALA A 36 5.629 13.697 0.823 1.00 51.34 H new ATOM 0 HB2 ALA A 36 4.994 12.156 1.445 1.00 51.34 H new ATOM 0 HB3 ALA A 36 4.615 12.669 -0.216 1.00 51.34 H new ATOM 571 N SER A 37 3.031 14.769 -0.840 1.00 12.32 N ATOM 572 CA SER A 37 2.766 15.842 -1.823 1.00 30.35 C ATOM 573 C SER A 37 1.623 16.769 -1.368 1.00 50.14 C ATOM 574 O SER A 37 1.790 17.987 -1.318 1.00 41.44 O ATOM 575 CB SER A 37 2.428 15.222 -3.198 1.00 23.35 C ATOM 576 OG SER A 37 2.076 16.205 -4.166 1.00 41.11 O ATOM 0 H SER A 37 3.014 13.834 -1.248 1.00 12.32 H new ATOM 0 HA SER A 37 3.668 16.448 -1.904 1.00 30.35 H new ATOM 0 HB2 SER A 37 3.285 14.653 -3.557 1.00 23.35 H new ATOM 0 HB3 SER A 37 1.604 14.518 -3.083 1.00 23.35 H new ATOM 0 HG SER A 37 1.872 15.766 -5.018 1.00 41.11 H new ATOM 582 N SER A 38 0.484 16.165 -0.984 1.00 62.23 N ATOM 583 CA SER A 38 -0.731 16.916 -0.604 1.00 33.04 C ATOM 584 C SER A 38 -0.590 17.619 0.751 1.00 14.11 C ATOM 585 O SER A 38 -1.204 18.656 0.953 1.00 20.23 O ATOM 586 CB SER A 38 -1.968 15.988 -0.601 1.00 12.41 C ATOM 587 OG SER A 38 -3.177 16.701 -0.346 1.00 32.04 O ATOM 0 H SER A 38 0.378 15.152 -0.928 1.00 62.23 H new ATOM 0 HA SER A 38 -0.867 17.693 -1.356 1.00 33.04 H new ATOM 0 HB2 SER A 38 -2.043 15.482 -1.564 1.00 12.41 H new ATOM 0 HB3 SER A 38 -1.838 15.215 0.156 1.00 12.41 H new ATOM 0 HG SER A 38 -3.933 16.077 -0.355 1.00 32.04 H new ATOM 593 N ASP A 39 0.213 17.055 1.666 1.00 10.32 N ATOM 594 CA ASP A 39 0.554 17.718 2.949 1.00 73.24 C ATOM 595 C ASP A 39 1.350 19.015 2.708 1.00 20.32 C ATOM 596 O ASP A 39 1.002 20.073 3.224 1.00 0.14 O ATOM 597 CB ASP A 39 1.389 16.765 3.826 1.00 1.11 C ATOM 598 CG ASP A 39 1.705 17.317 5.225 1.00 23.41 C ATOM 599 OD1 ASP A 39 0.756 17.480 6.028 1.00 3.14 O ATOM 600 OD2 ASP A 39 2.887 17.596 5.525 1.00 74.45 O ATOM 0 H ASP A 39 0.643 16.138 1.547 1.00 10.32 H new ATOM 0 HA ASP A 39 -0.377 17.969 3.457 1.00 73.24 H new ATOM 0 HB2 ASP A 39 0.853 15.822 3.932 1.00 1.11 H new ATOM 0 HB3 ASP A 39 2.326 16.544 3.314 1.00 1.11 H new ATOM 605 N LEU A 40 2.404 18.905 1.881 1.00 34.22 N ATOM 606 CA LEU A 40 3.350 20.013 1.613 1.00 45.14 C ATOM 607 C LEU A 40 2.657 21.147 0.829 1.00 21.23 C ATOM 608 O LEU A 40 2.934 22.334 1.043 1.00 64.33 O ATOM 609 CB LEU A 40 4.588 19.482 0.841 1.00 74.43 C ATOM 610 CG LEU A 40 5.413 18.364 1.569 1.00 71.53 C ATOM 611 CD1 LEU A 40 6.566 17.837 0.681 1.00 34.13 C ATOM 612 CD2 LEU A 40 5.936 18.845 2.946 1.00 20.53 C ATOM 0 H LEU A 40 2.628 18.047 1.377 1.00 34.22 H new ATOM 0 HA LEU A 40 3.685 20.423 2.566 1.00 45.14 H new ATOM 0 HB2 LEU A 40 4.255 19.094 -0.121 1.00 74.43 H new ATOM 0 HB3 LEU A 40 5.252 20.321 0.633 1.00 74.43 H new ATOM 0 HG LEU A 40 4.734 17.531 1.751 1.00 71.53 H new ATOM 0 HD11 LEU A 40 7.115 17.064 1.219 1.00 34.13 H new ATOM 0 HD12 LEU A 40 6.155 17.418 -0.238 1.00 34.13 H new ATOM 0 HD13 LEU A 40 7.241 18.657 0.436 1.00 34.13 H new ATOM 0 HD21 LEU A 40 6.503 18.044 3.420 1.00 20.53 H new ATOM 0 HD22 LEU A 40 6.581 19.713 2.807 1.00 20.53 H new ATOM 0 HD23 LEU A 40 5.093 19.118 3.580 1.00 20.53 H new ATOM 624 N ARG A 41 1.742 20.742 -0.068 1.00 50.45 N ATOM 625 CA ARG A 41 0.894 21.668 -0.852 1.00 73.44 C ATOM 626 C ARG A 41 -0.158 22.348 0.057 1.00 65.43 C ATOM 627 O ARG A 41 -0.391 23.552 -0.055 1.00 50.24 O ATOM 628 CB ARG A 41 0.191 20.907 -2.011 1.00 71.03 C ATOM 629 CG ARG A 41 1.124 20.462 -3.165 1.00 21.01 C ATOM 630 CD ARG A 41 0.396 19.574 -4.193 1.00 22.34 C ATOM 631 NE ARG A 41 1.245 19.233 -5.345 1.00 24.23 N ATOM 632 CZ ARG A 41 0.923 18.390 -6.303 1.00 20.13 C ATOM 633 NH1 ARG A 41 -0.175 17.704 -6.268 1.00 30.10 N ATOM 634 NH2 ARG A 41 1.726 18.226 -7.299 1.00 24.15 N ATOM 0 H ARG A 41 1.566 19.759 -0.274 1.00 50.45 H new ATOM 0 HA ARG A 41 1.534 22.441 -1.277 1.00 73.44 H new ATOM 0 HB2 ARG A 41 -0.300 20.025 -1.601 1.00 71.03 H new ATOM 0 HB3 ARG A 41 -0.591 21.545 -2.422 1.00 71.03 H new ATOM 0 HG2 ARG A 41 1.524 21.343 -3.667 1.00 21.01 H new ATOM 0 HG3 ARG A 41 1.973 19.917 -2.753 1.00 21.01 H new ATOM 0 HD2 ARG A 41 0.065 18.657 -3.706 1.00 22.34 H new ATOM 0 HD3 ARG A 41 -0.498 20.089 -4.545 1.00 22.34 H new ATOM 0 HE ARG A 41 2.157 19.686 -5.406 1.00 24.23 H new ATOM 0 HH11 ARG A 41 -0.817 17.810 -5.483 1.00 30.10 H new ATOM 0 HH12 ARG A 41 -0.397 17.058 -7.026 1.00 30.10 H new ATOM 0 HH21 ARG A 41 2.602 18.747 -7.339 1.00 24.15 H new ATOM 0 HH22 ARG A 41 1.485 17.575 -8.046 1.00 24.15 H new ATOM 648 N ASN A 42 -0.769 21.554 0.965 1.00 34.35 N ATOM 649 CA ASN A 42 -1.801 22.043 1.921 1.00 43.35 C ATOM 650 C ASN A 42 -1.213 23.071 2.922 1.00 23.31 C ATOM 651 O ASN A 42 -1.882 24.036 3.305 1.00 23.03 O ATOM 652 CB ASN A 42 -2.426 20.847 2.693 1.00 35.12 C ATOM 653 CG ASN A 42 -3.654 21.218 3.526 1.00 5.11 C ATOM 654 OD1 ASN A 42 -4.434 22.085 3.153 1.00 40.11 O ATOM 655 ND2 ASN A 42 -3.846 20.561 4.656 1.00 24.04 N ATOM 0 H ASN A 42 -0.565 20.559 1.060 1.00 34.35 H new ATOM 0 HA ASN A 42 -2.576 22.546 1.342 1.00 43.35 H new ATOM 0 HB2 ASN A 42 -2.705 20.072 1.979 1.00 35.12 H new ATOM 0 HB3 ASN A 42 -1.670 20.417 3.350 1.00 35.12 H new ATOM 0 HD21 ASN A 42 -4.657 20.772 5.237 1.00 24.04 H new ATOM 0 HD22 ASN A 42 -3.183 19.843 4.947 1.00 24.04 H new ATOM 662 N LEU A 43 0.047 22.848 3.328 1.00 5.00 N ATOM 663 CA LEU A 43 0.757 23.736 4.273 1.00 32.43 C ATOM 664 C LEU A 43 1.233 25.019 3.571 1.00 52.11 C ATOM 665 O LEU A 43 1.217 26.099 4.169 1.00 55.24 O ATOM 666 CB LEU A 43 1.957 22.992 4.919 1.00 65.44 C ATOM 667 CG LEU A 43 1.590 21.804 5.871 1.00 65.24 C ATOM 668 CD1 LEU A 43 2.855 21.078 6.381 1.00 71.51 C ATOM 669 CD2 LEU A 43 0.707 22.280 7.054 1.00 30.45 C ATOM 0 H LEU A 43 0.603 22.052 3.015 1.00 5.00 H new ATOM 0 HA LEU A 43 0.059 24.021 5.061 1.00 32.43 H new ATOM 0 HB2 LEU A 43 2.595 22.610 4.122 1.00 65.44 H new ATOM 0 HB3 LEU A 43 2.548 23.715 5.482 1.00 65.44 H new ATOM 0 HG LEU A 43 1.009 21.089 5.289 1.00 65.24 H new ATOM 0 HD11 LEU A 43 2.564 20.259 7.039 1.00 71.51 H new ATOM 0 HD12 LEU A 43 3.414 20.681 5.533 1.00 71.51 H new ATOM 0 HD13 LEU A 43 3.481 21.781 6.931 1.00 71.51 H new ATOM 0 HD21 LEU A 43 0.470 21.431 7.696 1.00 30.45 H new ATOM 0 HD22 LEU A 43 1.246 23.032 7.631 1.00 30.45 H new ATOM 0 HD23 LEU A 43 -0.216 22.712 6.668 1.00 30.45 H new ATOM 681 N LYS A 44 1.624 24.899 2.284 1.00 40.15 N ATOM 682 CA LYS A 44 2.134 26.040 1.506 1.00 33.31 C ATOM 683 C LYS A 44 0.987 27.010 1.192 1.00 30.25 C ATOM 684 O LYS A 44 1.095 28.206 1.431 1.00 30.23 O ATOM 685 CB LYS A 44 2.797 25.567 0.187 1.00 14.13 C ATOM 686 CG LYS A 44 3.353 26.727 -0.685 1.00 32.40 C ATOM 687 CD LYS A 44 3.758 26.293 -2.111 1.00 64.41 C ATOM 688 CE LYS A 44 4.249 27.478 -2.970 1.00 61.12 C ATOM 689 NZ LYS A 44 4.459 27.088 -4.389 1.00 31.13 N ATOM 0 H LYS A 44 1.595 24.021 1.765 1.00 40.15 H new ATOM 0 HA LYS A 44 2.890 26.549 2.104 1.00 33.31 H new ATOM 0 HB2 LYS A 44 3.610 24.882 0.425 1.00 14.13 H new ATOM 0 HB3 LYS A 44 2.067 25.005 -0.395 1.00 14.13 H new ATOM 0 HG2 LYS A 44 2.599 27.511 -0.754 1.00 32.40 H new ATOM 0 HG3 LYS A 44 4.220 27.161 -0.187 1.00 32.40 H new ATOM 0 HD2 LYS A 44 4.545 25.542 -2.049 1.00 64.41 H new ATOM 0 HD3 LYS A 44 2.906 25.822 -2.600 1.00 64.41 H new ATOM 0 HE2 LYS A 44 3.521 28.288 -2.921 1.00 61.12 H new ATOM 0 HE3 LYS A 44 5.182 27.862 -2.558 1.00 61.12 H new ATOM 0 HZ1 LYS A 44 4.788 27.913 -4.931 1.00 31.13 H new ATOM 0 HZ2 LYS A 44 5.172 26.333 -4.440 1.00 31.13 H new ATOM 0 HZ3 LYS A 44 3.563 26.745 -4.791 1.00 31.13 H new ATOM 703 N THR A 45 -0.128 26.442 0.699 1.00 21.22 N ATOM 704 CA THR A 45 -1.325 27.203 0.282 1.00 50.32 C ATOM 705 C THR A 45 -1.999 27.906 1.479 1.00 75.41 C ATOM 706 O THR A 45 -2.597 28.974 1.328 1.00 4.34 O ATOM 707 CB THR A 45 -2.344 26.271 -0.454 1.00 63.20 C ATOM 708 OG1 THR A 45 -3.319 27.055 -1.163 1.00 22.42 O ATOM 709 CG2 THR A 45 -3.089 25.311 0.491 1.00 41.32 C ATOM 0 H THR A 45 -0.227 25.434 0.577 1.00 21.22 H new ATOM 0 HA THR A 45 -0.996 27.977 -0.412 1.00 50.32 H new ATOM 0 HB THR A 45 -1.750 25.669 -1.142 1.00 63.20 H new ATOM 0 HG1 THR A 45 -3.949 26.459 -1.620 1.00 22.42 H new ATOM 0 HG21 THR A 45 -3.779 24.695 -0.086 1.00 41.32 H new ATOM 0 HG22 THR A 45 -2.369 24.670 1.000 1.00 41.32 H new ATOM 0 HG23 THR A 45 -3.647 25.887 1.229 1.00 41.32 H new ATOM 717 N ALA A 46 -1.895 27.269 2.659 1.00 10.13 N ATOM 718 CA ALA A 46 -2.322 27.848 3.954 1.00 23.34 C ATOM 719 C ALA A 46 -1.524 29.127 4.285 1.00 64.44 C ATOM 720 O ALA A 46 -2.099 30.154 4.674 1.00 61.13 O ATOM 721 CB ALA A 46 -2.166 26.801 5.072 1.00 53.11 C ATOM 0 H ALA A 46 -1.509 26.329 2.746 1.00 10.13 H new ATOM 0 HA ALA A 46 -3.372 28.129 3.877 1.00 23.34 H new ATOM 0 HB1 ALA A 46 -2.482 27.233 6.022 1.00 53.11 H new ATOM 0 HB2 ALA A 46 -2.784 25.932 4.845 1.00 53.11 H new ATOM 0 HB3 ALA A 46 -1.122 26.496 5.141 1.00 53.11 H new ATOM 727 N LEU A 47 -0.192 29.043 4.112 1.00 54.22 N ATOM 728 CA LEU A 47 0.726 30.187 4.302 1.00 42.10 C ATOM 729 C LEU A 47 0.498 31.287 3.235 1.00 42.55 C ATOM 730 O LEU A 47 0.519 32.466 3.561 1.00 31.12 O ATOM 731 CB LEU A 47 2.216 29.707 4.316 1.00 60.23 C ATOM 732 CG LEU A 47 2.795 29.259 5.706 1.00 52.10 C ATOM 733 CD1 LEU A 47 1.893 28.224 6.416 1.00 41.22 C ATOM 734 CD2 LEU A 47 4.238 28.720 5.559 1.00 72.22 C ATOM 0 H LEU A 47 0.280 28.182 3.837 1.00 54.22 H new ATOM 0 HA LEU A 47 0.505 30.631 5.272 1.00 42.10 H new ATOM 0 HB2 LEU A 47 2.312 28.872 3.621 1.00 60.23 H new ATOM 0 HB3 LEU A 47 2.838 30.515 3.932 1.00 60.23 H new ATOM 0 HG LEU A 47 2.819 30.147 6.337 1.00 52.10 H new ATOM 0 HD11 LEU A 47 2.339 27.948 7.372 1.00 41.22 H new ATOM 0 HD12 LEU A 47 0.907 28.657 6.587 1.00 41.22 H new ATOM 0 HD13 LEU A 47 1.796 27.336 5.791 1.00 41.22 H new ATOM 0 HD21 LEU A 47 4.615 28.417 6.536 1.00 72.22 H new ATOM 0 HD22 LEU A 47 4.239 27.861 4.887 1.00 72.22 H new ATOM 0 HD23 LEU A 47 4.878 29.501 5.150 1.00 72.22 H new ATOM 746 N GLU A 48 0.240 30.890 1.976 1.00 51.42 N ATOM 747 CA GLU A 48 -0.004 31.843 0.865 1.00 21.34 C ATOM 748 C GLU A 48 -1.321 32.615 1.074 1.00 15.13 C ATOM 749 O GLU A 48 -1.401 33.808 0.786 1.00 61.14 O ATOM 750 CB GLU A 48 -0.038 31.098 -0.493 1.00 22.04 C ATOM 751 CG GLU A 48 1.295 30.428 -0.889 1.00 45.23 C ATOM 752 CD GLU A 48 1.229 29.707 -2.244 1.00 14.15 C ATOM 753 OE1 GLU A 48 0.739 28.555 -2.296 1.00 43.01 O ATOM 754 OE2 GLU A 48 1.644 30.294 -3.265 1.00 44.02 O ATOM 0 H GLU A 48 0.194 29.910 1.696 1.00 51.42 H new ATOM 0 HA GLU A 48 0.817 32.560 0.856 1.00 21.34 H new ATOM 0 HB2 GLU A 48 -0.816 30.336 -0.455 1.00 22.04 H new ATOM 0 HB3 GLU A 48 -0.321 31.804 -1.274 1.00 22.04 H new ATOM 0 HG2 GLU A 48 2.078 31.185 -0.925 1.00 45.23 H new ATOM 0 HG3 GLU A 48 1.578 29.712 -0.117 1.00 45.23 H new ATOM 761 N SER A 49 -2.337 31.905 1.592 1.00 0.11 N ATOM 762 CA SER A 49 -3.644 32.495 1.955 1.00 32.44 C ATOM 763 C SER A 49 -3.513 33.430 3.177 1.00 23.43 C ATOM 764 O SER A 49 -4.281 34.389 3.317 1.00 3.31 O ATOM 765 CB SER A 49 -4.670 31.378 2.247 1.00 41.31 C ATOM 766 OG SER A 49 -5.955 31.906 2.527 1.00 32.33 O ATOM 0 H SER A 49 -2.279 30.903 1.773 1.00 0.11 H new ATOM 0 HA SER A 49 -3.994 33.089 1.110 1.00 32.44 H new ATOM 0 HB2 SER A 49 -4.731 30.707 1.390 1.00 41.31 H new ATOM 0 HB3 SER A 49 -4.329 30.783 3.094 1.00 41.31 H new ATOM 0 HG SER A 49 -6.579 31.171 2.705 1.00 32.33 H new ATOM 772 N ALA A 50 -2.511 33.155 4.043 1.00 62.51 N ATOM 773 CA ALA A 50 -2.224 33.975 5.237 1.00 4.41 C ATOM 774 C ALA A 50 -1.541 35.291 4.830 1.00 33.34 C ATOM 775 O ALA A 50 -2.041 36.371 5.129 1.00 42.00 O ATOM 776 CB ALA A 50 -1.349 33.189 6.234 1.00 52.13 C ATOM 0 H ALA A 50 -1.882 32.360 3.932 1.00 62.51 H new ATOM 0 HA ALA A 50 -3.166 34.216 5.729 1.00 4.41 H new ATOM 0 HB1 ALA A 50 -1.147 33.808 7.108 1.00 52.13 H new ATOM 0 HB2 ALA A 50 -1.873 32.285 6.543 1.00 52.13 H new ATOM 0 HB3 ALA A 50 -0.408 32.918 5.756 1.00 52.13 H new ATOM 782 N PHE A 51 -0.438 35.170 4.067 1.00 60.24 N ATOM 783 CA PHE A 51 0.392 36.319 3.619 1.00 34.35 C ATOM 784 C PHE A 51 -0.308 37.164 2.521 1.00 53.03 C ATOM 785 O PHE A 51 0.121 38.288 2.234 1.00 54.21 O ATOM 786 CB PHE A 51 1.782 35.825 3.126 1.00 45.31 C ATOM 787 CG PHE A 51 2.668 35.231 4.233 1.00 12.34 C ATOM 788 CD1 PHE A 51 3.091 36.021 5.301 1.00 54.42 C ATOM 789 CD2 PHE A 51 3.080 33.895 4.206 1.00 63.50 C ATOM 790 CE1 PHE A 51 3.883 35.497 6.304 1.00 1.22 C ATOM 791 CE2 PHE A 51 3.873 33.371 5.209 1.00 23.23 C ATOM 792 CZ PHE A 51 4.276 34.171 6.258 1.00 33.45 C ATOM 0 H PHE A 51 -0.090 34.269 3.739 1.00 60.24 H new ATOM 0 HA PHE A 51 0.530 36.971 4.482 1.00 34.35 H new ATOM 0 HB2 PHE A 51 1.634 35.072 2.351 1.00 45.31 H new ATOM 0 HB3 PHE A 51 2.309 36.660 2.663 1.00 45.31 H new ATOM 0 HD1 PHE A 51 2.795 37.059 5.345 1.00 54.42 H new ATOM 0 HD2 PHE A 51 2.773 33.262 3.387 1.00 63.50 H new ATOM 0 HE1 PHE A 51 4.196 36.124 7.126 1.00 1.22 H new ATOM 0 HE2 PHE A 51 4.177 32.335 5.172 1.00 23.23 H new ATOM 0 HZ PHE A 51 4.897 33.763 7.042 1.00 33.45 H new ATOM 802 N ALA A 52 -1.382 36.606 1.916 1.00 22.21 N ATOM 803 CA ALA A 52 -2.261 37.339 0.968 1.00 13.45 C ATOM 804 C ALA A 52 -3.066 38.457 1.679 1.00 54.24 C ATOM 805 O ALA A 52 -3.575 39.369 1.025 1.00 70.22 O ATOM 806 CB ALA A 52 -3.210 36.357 0.254 1.00 72.42 C ATOM 0 H ALA A 52 -1.665 35.638 2.069 1.00 22.21 H new ATOM 0 HA ALA A 52 -1.624 37.819 0.225 1.00 13.45 H new ATOM 0 HB1 ALA A 52 -3.849 36.906 -0.438 1.00 72.42 H new ATOM 0 HB2 ALA A 52 -2.625 35.622 -0.298 1.00 72.42 H new ATOM 0 HB3 ALA A 52 -3.829 35.847 0.992 1.00 72.42 H new ATOM 812 N ASP A 53 -3.184 38.363 3.019 1.00 22.12 N ATOM 813 CA ASP A 53 -3.812 39.408 3.861 1.00 62.44 C ATOM 814 C ASP A 53 -2.832 40.596 4.094 1.00 23.34 C ATOM 815 O ASP A 53 -3.273 41.731 4.296 1.00 25.31 O ATOM 816 CB ASP A 53 -4.249 38.775 5.209 1.00 3.14 C ATOM 817 CG ASP A 53 -5.089 39.710 6.083 1.00 51.15 C ATOM 818 OD1 ASP A 53 -6.322 39.770 5.896 1.00 24.44 O ATOM 819 OD2 ASP A 53 -4.528 40.407 6.955 1.00 34.31 O ATOM 0 H ASP A 53 -2.847 37.560 3.551 1.00 22.12 H new ATOM 0 HA ASP A 53 -4.689 39.806 3.350 1.00 62.44 H new ATOM 0 HB2 ASP A 53 -4.821 37.869 5.007 1.00 3.14 H new ATOM 0 HB3 ASP A 53 -3.361 38.474 5.764 1.00 3.14 H new ATOM 824 N ASP A 54 -1.507 40.291 4.045 1.00 11.31 N ATOM 825 CA ASP A 54 -0.398 41.236 4.316 1.00 74.12 C ATOM 826 C ASP A 54 -0.400 41.701 5.803 1.00 12.02 C ATOM 827 O ASP A 54 -1.069 42.674 6.177 1.00 54.34 O ATOM 828 CB ASP A 54 -0.397 42.435 3.328 1.00 0.30 C ATOM 829 CG ASP A 54 0.807 43.363 3.537 1.00 65.40 C ATOM 830 OD1 ASP A 54 1.949 42.935 3.264 1.00 72.25 O ATOM 831 OD2 ASP A 54 0.625 44.509 3.993 1.00 11.33 O ATOM 0 H ASP A 54 -1.176 39.355 3.809 1.00 11.31 H new ATOM 0 HA ASP A 54 0.534 40.697 4.147 1.00 74.12 H new ATOM 0 HB2 ASP A 54 -0.390 42.059 2.305 1.00 0.30 H new ATOM 0 HB3 ASP A 54 -1.318 43.005 3.452 1.00 0.30 H new ATOM 836 N GLN A 55 0.347 40.959 6.648 1.00 70.32 N ATOM 837 CA GLN A 55 0.416 41.190 8.113 1.00 62.12 C ATOM 838 C GLN A 55 1.549 42.174 8.476 1.00 1.12 C ATOM 839 O GLN A 55 1.501 42.830 9.523 1.00 63.35 O ATOM 840 CB GLN A 55 0.614 39.842 8.881 1.00 51.34 C ATOM 841 CG GLN A 55 -0.441 38.742 8.588 1.00 12.41 C ATOM 842 CD GLN A 55 -0.219 38.003 7.261 1.00 33.14 C ATOM 843 OE1 GLN A 55 -0.689 38.416 6.212 1.00 30.21 O ATOM 844 NE2 GLN A 55 0.511 36.906 7.298 1.00 62.24 N ATOM 0 H GLN A 55 0.923 40.178 6.335 1.00 70.32 H new ATOM 0 HA GLN A 55 -0.533 41.633 8.417 1.00 62.12 H new ATOM 0 HB2 GLN A 55 1.601 39.448 8.638 1.00 51.34 H new ATOM 0 HB3 GLN A 55 0.608 40.050 9.951 1.00 51.34 H new ATOM 0 HG2 GLN A 55 -0.431 38.017 9.402 1.00 12.41 H new ATOM 0 HG3 GLN A 55 -1.432 39.196 8.578 1.00 12.41 H new ATOM 0 HE21 GLN A 55 0.894 36.578 8.185 1.00 62.24 H new ATOM 0 HE22 GLN A 55 0.693 36.385 6.440 1.00 62.24 H new ATOM 853 N THR A 56 2.573 42.250 7.615 1.00 42.43 N ATOM 854 CA THR A 56 3.746 43.132 7.815 1.00 14.42 C ATOM 855 C THR A 56 3.910 44.104 6.623 1.00 51.44 C ATOM 856 O THR A 56 4.730 43.887 5.718 1.00 2.41 O ATOM 857 CB THR A 56 5.062 42.299 8.037 1.00 24.40 C ATOM 858 OG1 THR A 56 5.268 41.383 6.939 1.00 73.11 O ATOM 859 CG2 THR A 56 5.030 41.499 9.361 1.00 42.15 C ATOM 0 H THR A 56 2.617 41.702 6.756 1.00 42.43 H new ATOM 0 HA THR A 56 3.568 43.718 8.717 1.00 14.42 H new ATOM 0 HB THR A 56 5.883 43.014 8.089 1.00 24.40 H new ATOM 0 HG1 THR A 56 5.262 41.879 6.094 1.00 73.11 H new ATOM 0 HG21 THR A 56 5.959 40.940 9.471 1.00 42.15 H new ATOM 0 HG22 THR A 56 4.919 42.187 10.199 1.00 42.15 H new ATOM 0 HG23 THR A 56 4.189 40.806 9.347 1.00 42.15 H new ATOM 867 N TYR A 57 3.083 45.162 6.616 1.00 4.10 N ATOM 868 CA TYR A 57 3.178 46.247 5.601 1.00 74.34 C ATOM 869 C TYR A 57 4.509 47.039 5.751 1.00 10.22 C ATOM 870 O TYR A 57 4.985 47.222 6.879 1.00 21.21 O ATOM 871 CB TYR A 57 1.952 47.212 5.694 1.00 41.22 C ATOM 872 CG TYR A 57 1.756 47.930 7.052 1.00 14.44 C ATOM 873 CD1 TYR A 57 2.417 49.135 7.350 1.00 4.30 C ATOM 874 CD2 TYR A 57 0.913 47.402 8.034 1.00 41.23 C ATOM 875 CE1 TYR A 57 2.243 49.768 8.560 1.00 64.24 C ATOM 876 CE2 TYR A 57 0.738 48.042 9.247 1.00 44.21 C ATOM 877 CZ TYR A 57 1.405 49.220 9.503 1.00 44.44 C ATOM 878 OH TYR A 57 1.230 49.854 10.711 1.00 62.02 O ATOM 0 H TYR A 57 2.337 45.298 7.299 1.00 4.10 H new ATOM 0 HA TYR A 57 3.170 45.780 4.616 1.00 74.34 H new ATOM 0 HB2 TYR A 57 2.051 47.969 4.916 1.00 41.22 H new ATOM 0 HB3 TYR A 57 1.049 46.643 5.473 1.00 41.22 H new ATOM 0 HD1 TYR A 57 3.075 49.573 6.614 1.00 4.30 H new ATOM 0 HD2 TYR A 57 0.389 46.477 7.842 1.00 41.23 H new ATOM 0 HE1 TYR A 57 2.763 50.692 8.768 1.00 64.24 H new ATOM 0 HE2 TYR A 57 0.080 47.620 9.992 1.00 44.21 H new ATOM 0 HH TYR A 57 0.606 49.338 11.264 1.00 62.02 H new ATOM 888 N PRO A 58 5.154 47.504 4.635 1.00 23.24 N ATOM 889 CA PRO A 58 6.368 48.354 4.737 1.00 24.00 C ATOM 890 C PRO A 58 6.024 49.802 5.223 1.00 20.01 C ATOM 891 O PRO A 58 5.096 50.430 4.693 1.00 24.41 O ATOM 892 CB PRO A 58 6.929 48.339 3.289 1.00 75.44 C ATOM 893 CG PRO A 58 5.721 48.134 2.420 1.00 25.44 C ATOM 894 CD PRO A 58 4.788 47.235 3.215 1.00 12.50 C ATOM 0 HA PRO A 58 7.086 47.989 5.471 1.00 24.00 H new ATOM 0 HB2 PRO A 58 7.436 49.274 3.050 1.00 75.44 H new ATOM 0 HB3 PRO A 58 7.656 47.538 3.153 1.00 75.44 H new ATOM 0 HG2 PRO A 58 5.242 49.085 2.185 1.00 25.44 H new ATOM 0 HG3 PRO A 58 5.995 47.672 1.472 1.00 25.44 H new ATOM 0 HD2 PRO A 58 3.742 47.473 3.020 1.00 12.50 H new ATOM 0 HD3 PRO A 58 4.930 46.185 2.958 1.00 12.50 H new ATOM 902 N PRO A 59 6.754 50.348 6.254 1.00 13.54 N ATOM 903 CA PRO A 59 6.591 51.762 6.705 1.00 54.15 C ATOM 904 C PRO A 59 7.148 52.790 5.684 1.00 30.13 C ATOM 905 O PRO A 59 7.654 52.414 4.618 1.00 52.34 O ATOM 906 CB PRO A 59 7.372 51.809 8.060 1.00 73.45 C ATOM 907 CG PRO A 59 7.615 50.366 8.423 1.00 62.42 C ATOM 908 CD PRO A 59 7.737 49.632 7.109 1.00 30.13 C ATOM 0 HA PRO A 59 5.542 52.038 6.807 1.00 54.15 H new ATOM 0 HB2 PRO A 59 8.311 52.353 7.955 1.00 73.45 H new ATOM 0 HB3 PRO A 59 6.793 52.318 8.831 1.00 73.45 H new ATOM 0 HG2 PRO A 59 8.522 50.259 9.018 1.00 62.42 H new ATOM 0 HG3 PRO A 59 6.794 49.968 9.020 1.00 62.42 H new ATOM 0 HD2 PRO A 59 8.747 49.690 6.703 1.00 30.13 H new ATOM 0 HD3 PRO A 59 7.494 48.574 7.210 1.00 30.13 H new ATOM 916 N GLU A 60 7.048 54.092 6.026 1.00 51.45 N ATOM 917 CA GLU A 60 7.533 55.197 5.164 1.00 11.01 C ATOM 918 C GLU A 60 9.064 55.126 4.944 1.00 5.12 C ATOM 919 O GLU A 60 9.826 54.972 5.899 1.00 45.24 O ATOM 920 CB GLU A 60 7.134 56.577 5.766 1.00 2.21 C ATOM 921 CG GLU A 60 5.613 56.836 5.836 1.00 54.32 C ATOM 922 CD GLU A 60 4.947 56.817 4.446 1.00 52.31 C ATOM 923 OE1 GLU A 60 5.056 57.823 3.710 1.00 14.52 O ATOM 924 OE2 GLU A 60 4.347 55.785 4.059 1.00 41.03 O ATOM 0 H GLU A 60 6.632 54.408 6.902 1.00 51.45 H new ATOM 0 HA GLU A 60 7.055 55.085 4.191 1.00 11.01 H new ATOM 0 HB2 GLU A 60 7.548 56.653 6.771 1.00 2.21 H new ATOM 0 HB3 GLU A 60 7.596 57.365 5.171 1.00 2.21 H new ATOM 0 HG2 GLU A 60 5.148 56.080 6.469 1.00 54.32 H new ATOM 0 HG3 GLU A 60 5.433 57.802 6.308 1.00 54.32 H new ATOM 931 N SER A 61 9.485 55.208 3.671 1.00 50.20 N ATOM 932 CA SER A 61 10.912 55.147 3.266 1.00 15.31 C ATOM 933 C SER A 61 11.164 56.073 2.040 1.00 43.11 C ATOM 934 O SER A 61 11.046 55.609 0.881 1.00 40.31 O ATOM 935 CB SER A 61 11.305 53.676 2.953 1.00 20.30 C ATOM 936 OG SER A 61 12.671 53.559 2.596 1.00 2.44 O ATOM 937 OXT SER A 61 11.453 57.279 2.234 1.00 37.19 O ATOM 0 H SER A 61 8.846 55.319 2.884 1.00 50.20 H new ATOM 0 HA SER A 61 11.537 55.502 4.085 1.00 15.31 H new ATOM 0 HB2 SER A 61 11.103 53.053 3.824 1.00 20.30 H new ATOM 0 HB3 SER A 61 10.684 53.299 2.140 1.00 20.30 H new ATOM 0 HG SER A 61 12.881 52.620 2.408 1.00 2.44 H new TER 943 SER A 61