USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0802 (180deg=0) USER MOD Single : A 15 SER OG : rot -43:sc= 0.07 USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= -0.105 (180deg=-0.571) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.22! X(o=-1.2!,f=-0.78) USER MOD Single : A 22 GLN : amide:sc= -0.17 K(o=-0.17,f=-3.3!) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0101) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.004 3.936 -1.624 1.00 24.15 N ATOM 2 CA GLY A 1 -25.972 2.486 -1.711 1.00 22.31 C ATOM 3 C GLY A 1 -24.748 1.920 -0.988 1.00 71.22 C ATOM 4 O GLY A 1 -23.771 2.633 -0.764 1.00 42.35 O ATOM 0 H1 GLY A 1 -26.773 4.229 -0.987 1.00 24.15 H new ATOM 0 H2 GLY A 1 -25.096 4.282 -1.252 1.00 24.15 H new ATOM 0 H3 GLY A 1 -26.166 4.337 -2.570 1.00 24.15 H new ATOM 0 HA2 GLY A 1 -26.881 2.072 -1.274 1.00 22.31 H new ATOM 0 HA3 GLY A 1 -25.954 2.181 -2.757 1.00 22.31 H new ATOM 8 N ILE A 2 -24.842 0.644 -0.644 1.00 32.53 N ATOM 9 CA ILE A 2 -23.754 -0.026 0.048 1.00 20.22 C ATOM 10 C ILE A 2 -23.001 -0.919 -0.938 1.00 54.23 C ATOM 11 O ILE A 2 -21.778 -1.033 -0.870 1.00 14.33 O ATOM 12 CB ILE A 2 -24.280 -0.772 1.276 1.00 31.54 C ATOM 13 CG1 ILE A 2 -24.863 -2.131 0.884 1.00 11.42 C ATOM 14 CG2 ILE A 2 -25.287 0.084 2.048 1.00 54.15 C ATOM 15 CD1 ILE A 2 -25.514 -2.816 2.087 1.00 4.23 C ATOM 0 H ILE A 2 -25.654 0.057 -0.831 1.00 32.53 H new ATOM 0 HA ILE A 2 -23.038 0.703 0.428 1.00 20.22 H new ATOM 0 HB ILE A 2 -23.441 -0.963 1.945 1.00 31.54 H new ATOM 0 HG12 ILE A 2 -25.601 -2.000 0.093 1.00 11.42 H new ATOM 0 HG13 ILE A 2 -24.074 -2.767 0.482 1.00 11.42 H new ATOM 0 HG21 ILE A 2 -25.645 -0.470 2.916 1.00 54.15 H new ATOM 0 HG22 ILE A 2 -24.805 1.004 2.378 1.00 54.15 H new ATOM 0 HG23 ILE A 2 -26.129 0.328 1.400 1.00 54.15 H new ATOM 0 HD11 ILE A 2 -25.920 -3.780 1.781 1.00 4.23 H new ATOM 0 HD12 ILE A 2 -24.768 -2.968 2.867 1.00 4.23 H new ATOM 0 HD13 ILE A 2 -26.318 -2.189 2.472 1.00 4.23 H new ATOM 27 N GLY A 3 -23.761 -1.532 -1.833 1.00 71.43 N ATOM 28 CA GLY A 3 -23.181 -2.412 -2.833 1.00 0.15 C ATOM 29 C GLY A 3 -22.087 -1.694 -3.626 1.00 61.33 C ATOM 30 O GLY A 3 -21.018 -2.255 -3.863 1.00 34.15 O ATOM 0 H GLY A 3 -24.775 -1.436 -1.887 1.00 71.43 H new ATOM 0 HA2 GLY A 3 -22.764 -3.295 -2.348 1.00 0.15 H new ATOM 0 HA3 GLY A 3 -23.959 -2.759 -3.512 1.00 0.15 H new ATOM 34 N ALA A 4 -22.393 -0.466 -4.016 1.00 70.43 N ATOM 35 CA ALA A 4 -21.450 0.334 -4.779 1.00 11.24 C ATOM 36 C ALA A 4 -20.358 0.857 -3.842 1.00 53.02 C ATOM 37 O ALA A 4 -19.171 0.765 -4.153 1.00 63.42 O ATOM 38 CB ALA A 4 -22.196 1.463 -5.493 1.00 2.35 C ATOM 0 H ALA A 4 -23.281 -0.005 -3.818 1.00 70.43 H new ATOM 0 HA ALA A 4 -20.966 -0.271 -5.546 1.00 11.24 H new ATOM 0 HB1 ALA A 4 -21.488 2.062 -6.065 1.00 2.35 H new ATOM 0 HB2 ALA A 4 -22.940 1.038 -6.167 1.00 2.35 H new ATOM 0 HB3 ALA A 4 -22.693 2.094 -4.756 1.00 2.35 H new ATOM 44 N LEU A 5 -20.798 1.396 -2.715 1.00 65.33 N ATOM 45 CA LEU A 5 -19.875 1.934 -1.731 1.00 54.35 C ATOM 46 C LEU A 5 -18.857 0.856 -1.350 1.00 23.04 C ATOM 47 O LEU A 5 -17.723 1.166 -0.991 1.00 22.54 O ATOM 48 CB LEU A 5 -20.638 2.509 -0.537 1.00 42.23 C ATOM 49 CG LEU A 5 -20.806 4.029 -0.517 1.00 31.21 C ATOM 50 CD1 LEU A 5 -19.561 4.711 0.052 1.00 1.13 C ATOM 51 CD2 LEU A 5 -21.166 4.559 -1.907 1.00 32.11 C ATOM 0 H LEU A 5 -21.783 1.472 -2.461 1.00 65.33 H new ATOM 0 HA LEU A 5 -19.314 2.769 -2.152 1.00 54.35 H new ATOM 0 HB2 LEU A 5 -21.628 2.054 -0.511 1.00 42.23 H new ATOM 0 HB3 LEU A 5 -20.124 2.208 0.376 1.00 42.23 H new ATOM 0 HG LEU A 5 -21.637 4.272 0.145 1.00 31.21 H new ATOM 0 HD11 LEU A 5 -19.707 5.791 0.055 1.00 1.13 H new ATOM 0 HD12 LEU A 5 -19.391 4.365 1.072 1.00 1.13 H new ATOM 0 HD13 LEU A 5 -18.697 4.463 -0.564 1.00 1.13 H new ATOM 0 HD21 LEU A 5 -21.280 5.642 -1.865 1.00 32.11 H new ATOM 0 HD22 LEU A 5 -20.373 4.304 -2.610 1.00 32.11 H new ATOM 0 HD23 LEU A 5 -22.102 4.108 -2.237 1.00 32.11 H new ATOM 63 N PHE A 6 -19.301 -0.390 -1.441 1.00 13.01 N ATOM 64 CA PHE A 6 -18.443 -1.515 -1.111 1.00 24.40 C ATOM 65 C PHE A 6 -17.085 -1.391 -1.804 1.00 51.54 C ATOM 66 O PHE A 6 -16.053 -1.721 -1.219 1.00 23.20 O ATOM 67 CB PHE A 6 -19.147 -2.776 -1.614 1.00 70.14 C ATOM 68 CG PHE A 6 -18.538 -4.080 -1.094 1.00 11.21 C ATOM 69 CD1 PHE A 6 -18.949 -4.595 0.096 1.00 32.43 C ATOM 70 CD2 PHE A 6 -17.585 -4.723 -1.820 1.00 12.03 C ATOM 71 CE1 PHE A 6 -18.384 -5.804 0.579 1.00 12.03 C ATOM 72 CE2 PHE A 6 -17.019 -5.932 -1.336 1.00 12.53 C ATOM 73 CZ PHE A 6 -17.430 -6.447 -0.146 1.00 74.14 C ATOM 0 H PHE A 6 -20.243 -0.644 -1.738 1.00 13.01 H new ATOM 0 HA PHE A 6 -18.269 -1.548 -0.035 1.00 24.40 H new ATOM 0 HB2 PHE A 6 -20.196 -2.735 -1.321 1.00 70.14 H new ATOM 0 HB3 PHE A 6 -19.120 -2.784 -2.704 1.00 70.14 H new ATOM 0 HD1 PHE A 6 -19.705 -4.084 0.673 1.00 32.43 H new ATOM 0 HD2 PHE A 6 -17.259 -4.314 -2.765 1.00 12.03 H new ATOM 0 HE1 PHE A 6 -18.712 -6.214 1.523 1.00 12.03 H new ATOM 0 HE2 PHE A 6 -16.262 -6.443 -1.913 1.00 12.53 H new ATOM 0 HZ PHE A 6 -16.999 -7.366 0.223 1.00 74.14 H new ATOM 83 N LEU A 7 -17.128 -0.918 -3.040 1.00 31.41 N ATOM 84 CA LEU A 7 -15.914 -0.746 -3.819 1.00 40.54 C ATOM 85 C LEU A 7 -15.098 0.409 -3.237 1.00 74.41 C ATOM 86 O LEU A 7 -13.882 0.303 -3.088 1.00 73.13 O ATOM 87 CB LEU A 7 -16.248 -0.579 -5.302 1.00 75.32 C ATOM 88 CG LEU A 7 -16.072 -1.823 -6.175 1.00 42.11 C ATOM 89 CD1 LEU A 7 -16.661 -1.603 -7.570 1.00 24.52 C ATOM 90 CD2 LEU A 7 -14.604 -2.249 -6.234 1.00 35.40 C ATOM 0 H LEU A 7 -17.985 -0.648 -3.522 1.00 31.41 H new ATOM 0 HA LEU A 7 -15.291 -1.638 -3.756 1.00 40.54 H new ATOM 0 HB2 LEU A 7 -17.282 -0.245 -5.385 1.00 75.32 H new ATOM 0 HB3 LEU A 7 -15.622 0.216 -5.707 1.00 75.32 H new ATOM 0 HG LEU A 7 -16.627 -2.642 -5.717 1.00 42.11 H new ATOM 0 HD11 LEU A 7 -16.522 -2.503 -8.170 1.00 24.52 H new ATOM 0 HD12 LEU A 7 -17.725 -1.384 -7.485 1.00 24.52 H new ATOM 0 HD13 LEU A 7 -16.155 -0.765 -8.050 1.00 24.52 H new ATOM 0 HD21 LEU A 7 -14.507 -3.135 -6.861 1.00 35.40 H new ATOM 0 HD22 LEU A 7 -14.007 -1.440 -6.655 1.00 35.40 H new ATOM 0 HD23 LEU A 7 -14.250 -2.476 -5.228 1.00 35.40 H new ATOM 102 N GLY A 8 -15.800 1.488 -2.924 1.00 60.13 N ATOM 103 CA GLY A 8 -15.156 2.663 -2.362 1.00 42.11 C ATOM 104 C GLY A 8 -14.580 2.363 -0.977 1.00 11.31 C ATOM 105 O GLY A 8 -13.625 3.006 -0.544 1.00 73.41 O ATOM 0 H GLY A 8 -16.809 1.573 -3.049 1.00 60.13 H new ATOM 0 HA2 GLY A 8 -14.359 2.998 -3.026 1.00 42.11 H new ATOM 0 HA3 GLY A 8 -15.876 3.478 -2.291 1.00 42.11 H new ATOM 109 N PHE A 9 -15.185 1.384 -0.319 1.00 54.42 N ATOM 110 CA PHE A 9 -14.742 0.990 1.008 1.00 43.14 C ATOM 111 C PHE A 9 -13.465 0.151 0.935 1.00 31.53 C ATOM 112 O PHE A 9 -12.524 0.379 1.694 1.00 21.21 O ATOM 113 CB PHE A 9 -15.861 0.142 1.619 1.00 53.02 C ATOM 114 CG PHE A 9 -15.719 -0.083 3.126 1.00 74.44 C ATOM 115 CD1 PHE A 9 -15.795 -1.342 3.635 1.00 73.31 C ATOM 116 CD2 PHE A 9 -15.518 0.975 3.955 1.00 54.10 C ATOM 117 CE1 PHE A 9 -15.664 -1.551 5.032 1.00 22.24 C ATOM 118 CE2 PHE A 9 -15.386 0.766 5.353 1.00 1.25 C ATOM 119 CZ PHE A 9 -15.462 -0.492 5.863 1.00 42.32 C ATOM 0 H PHE A 9 -15.977 0.853 -0.680 1.00 54.42 H new ATOM 0 HA PHE A 9 -14.528 1.876 1.606 1.00 43.14 H new ATOM 0 HB2 PHE A 9 -16.818 0.626 1.423 1.00 53.02 H new ATOM 0 HB3 PHE A 9 -15.884 -0.826 1.118 1.00 53.02 H new ATOM 0 HD1 PHE A 9 -15.955 -2.182 2.976 1.00 73.31 H new ATOM 0 HD2 PHE A 9 -15.459 1.975 3.550 1.00 54.10 H new ATOM 0 HE1 PHE A 9 -15.725 -2.551 5.436 1.00 22.24 H new ATOM 0 HE2 PHE A 9 -15.225 1.607 6.012 1.00 1.25 H new ATOM 0 HZ PHE A 9 -15.362 -0.651 6.927 1.00 42.32 H new ATOM 129 N LEU A 10 -13.473 -0.801 0.014 1.00 73.02 N ATOM 130 CA LEU A 10 -12.326 -1.674 -0.169 1.00 45.45 C ATOM 131 C LEU A 10 -11.167 -0.871 -0.759 1.00 35.21 C ATOM 132 O LEU A 10 -10.003 -1.157 -0.481 1.00 61.12 O ATOM 133 CB LEU A 10 -12.713 -2.899 -1.002 1.00 70.23 C ATOM 134 CG LEU A 10 -11.761 -3.260 -2.145 1.00 23.55 C ATOM 135 CD1 LEU A 10 -10.423 -3.768 -1.604 1.00 24.44 C ATOM 136 CD2 LEU A 10 -12.411 -4.261 -3.103 1.00 13.21 C ATOM 0 H LEU A 10 -14.255 -0.987 -0.613 1.00 73.02 H new ATOM 0 HA LEU A 10 -11.987 -2.063 0.791 1.00 45.45 H new ATOM 0 HB2 LEU A 10 -12.791 -3.758 -0.335 1.00 70.23 H new ATOM 0 HB3 LEU A 10 -13.705 -2.730 -1.421 1.00 70.23 H new ATOM 0 HG LEU A 10 -11.553 -2.356 -2.717 1.00 23.55 H new ATOM 0 HD11 LEU A 10 -9.765 -4.018 -2.436 1.00 24.44 H new ATOM 0 HD12 LEU A 10 -9.959 -2.993 -0.995 1.00 24.44 H new ATOM 0 HD13 LEU A 10 -10.590 -4.656 -0.995 1.00 24.44 H new ATOM 0 HD21 LEU A 10 -11.714 -4.501 -3.906 1.00 13.21 H new ATOM 0 HD22 LEU A 10 -12.667 -5.171 -2.560 1.00 13.21 H new ATOM 0 HD23 LEU A 10 -13.316 -3.825 -3.526 1.00 13.21 H new ATOM 148 N GLY A 11 -11.524 0.120 -1.563 1.00 2.51 N ATOM 149 CA GLY A 11 -10.527 0.968 -2.195 1.00 32.01 C ATOM 150 C GLY A 11 -9.514 1.480 -1.169 1.00 53.31 C ATOM 151 O GLY A 11 -8.335 1.639 -1.482 1.00 40.45 O ATOM 0 H GLY A 11 -12.490 0.355 -1.791 1.00 2.51 H new ATOM 0 HA2 GLY A 11 -10.010 0.409 -2.974 1.00 32.01 H new ATOM 0 HA3 GLY A 11 -11.017 1.812 -2.680 1.00 32.01 H new ATOM 155 N ALA A 12 -10.010 1.725 0.034 1.00 22.34 N ATOM 156 CA ALA A 12 -9.162 2.216 1.108 1.00 60.35 C ATOM 157 C ALA A 12 -8.070 1.186 1.400 1.00 24.25 C ATOM 158 O ALA A 12 -6.929 1.549 1.683 1.00 52.30 O ATOM 159 CB ALA A 12 -10.021 2.521 2.337 1.00 34.32 C ATOM 0 H ALA A 12 -10.989 1.593 0.290 1.00 22.34 H new ATOM 0 HA ALA A 12 -8.670 3.144 0.816 1.00 60.35 H new ATOM 0 HB1 ALA A 12 -9.386 2.889 3.143 1.00 34.32 H new ATOM 0 HB2 ALA A 12 -10.762 3.279 2.084 1.00 34.32 H new ATOM 0 HB3 ALA A 12 -10.528 1.612 2.661 1.00 34.32 H new ATOM 165 N ALA A 13 -8.458 -0.079 1.324 1.00 53.20 N ATOM 166 CA ALA A 13 -7.525 -1.164 1.577 1.00 64.02 C ATOM 167 C ALA A 13 -6.510 -1.235 0.435 1.00 44.44 C ATOM 168 O ALA A 13 -5.405 -1.746 0.613 1.00 42.04 O ATOM 169 CB ALA A 13 -8.299 -2.471 1.753 1.00 44.03 C ATOM 0 H ALA A 13 -9.405 -0.377 1.091 1.00 53.20 H new ATOM 0 HA ALA A 13 -6.971 -0.987 2.499 1.00 64.02 H new ATOM 0 HB1 ALA A 13 -7.600 -3.285 1.943 1.00 44.03 H new ATOM 0 HB2 ALA A 13 -8.984 -2.377 2.595 1.00 44.03 H new ATOM 0 HB3 ALA A 13 -8.866 -2.683 0.846 1.00 44.03 H new ATOM 175 N GLY A 14 -6.922 -0.717 -0.713 1.00 12.32 N ATOM 176 CA GLY A 14 -6.062 -0.716 -1.885 1.00 42.52 C ATOM 177 C GLY A 14 -4.811 0.132 -1.646 1.00 72.12 C ATOM 178 O GLY A 14 -3.691 -0.372 -1.717 1.00 43.40 O ATOM 0 H GLY A 14 -7.840 -0.295 -0.857 1.00 12.32 H new ATOM 0 HA2 GLY A 14 -5.772 -1.738 -2.129 1.00 42.52 H new ATOM 0 HA3 GLY A 14 -6.611 -0.327 -2.743 1.00 42.52 H new ATOM 182 N SER A 15 -5.043 1.406 -1.368 1.00 24.01 N ATOM 183 CA SER A 15 -3.950 2.330 -1.119 1.00 13.53 C ATOM 184 C SER A 15 -3.090 1.822 0.041 1.00 2.13 C ATOM 185 O SER A 15 -1.870 1.981 0.031 1.00 64.43 O ATOM 186 CB SER A 15 -4.472 3.735 -0.816 1.00 24.35 C ATOM 187 OG SER A 15 -5.007 3.833 0.502 1.00 31.22 O ATOM 0 H SER A 15 -5.973 1.821 -1.310 1.00 24.01 H new ATOM 0 HA SER A 15 -3.339 2.386 -2.020 1.00 13.53 H new ATOM 0 HB2 SER A 15 -3.663 4.456 -0.933 1.00 24.35 H new ATOM 0 HB3 SER A 15 -5.242 4.000 -1.541 1.00 24.35 H new ATOM 0 HG SER A 15 -5.555 3.043 0.692 1.00 31.22 H new ATOM 193 N LYS A 16 -3.760 1.221 1.013 1.00 21.31 N ATOM 194 CA LYS A 16 -3.073 0.688 2.178 1.00 21.32 C ATOM 195 C LYS A 16 -1.936 -0.225 1.719 1.00 15.34 C ATOM 196 O LYS A 16 -0.762 0.097 1.906 1.00 42.34 O ATOM 197 CB LYS A 16 -4.067 0.008 3.122 1.00 73.41 C ATOM 198 CG LYS A 16 -3.374 -0.460 4.402 1.00 13.44 C ATOM 199 CD LYS A 16 -3.675 -1.933 4.682 1.00 43.30 C ATOM 200 CE LYS A 16 -4.735 -2.079 5.776 1.00 22.13 C ATOM 201 NZ LYS A 16 -4.222 -1.566 7.066 1.00 30.24 N ATOM 0 H LYS A 16 -4.772 1.091 1.018 1.00 21.31 H new ATOM 0 HA LYS A 16 -2.621 1.494 2.757 1.00 21.32 H new ATOM 0 HB2 LYS A 16 -4.870 0.702 3.372 1.00 73.41 H new ATOM 0 HB3 LYS A 16 -4.526 -0.844 2.620 1.00 73.41 H new ATOM 0 HG2 LYS A 16 -2.297 -0.316 4.310 1.00 13.44 H new ATOM 0 HG3 LYS A 16 -3.706 0.149 5.243 1.00 13.44 H new ATOM 0 HD2 LYS A 16 -4.021 -2.417 3.769 1.00 43.30 H new ATOM 0 HD3 LYS A 16 -2.761 -2.443 4.986 1.00 43.30 H new ATOM 0 HE2 LYS A 16 -5.635 -1.534 5.493 1.00 22.13 H new ATOM 0 HE3 LYS A 16 -5.016 -3.127 5.881 1.00 22.13 H new ATOM 0 HZ1 LYS A 16 -4.691 -2.064 7.849 1.00 30.24 H new ATOM 0 HZ2 LYS A 16 -3.196 -1.725 7.120 1.00 30.24 H new ATOM 0 HZ3 LYS A 16 -4.418 -0.547 7.137 1.00 30.24 H new ATOM 214 N LYS A 17 -2.320 -1.347 1.129 1.00 71.55 N ATOM 215 CA LYS A 17 -1.347 -2.309 0.642 1.00 44.41 C ATOM 216 C LYS A 17 -0.276 -1.579 -0.171 1.00 24.44 C ATOM 217 O LYS A 17 0.907 -1.898 -0.073 1.00 10.51 O ATOM 218 CB LYS A 17 -2.044 -3.433 -0.128 1.00 11.33 C ATOM 219 CG LYS A 17 -1.422 -4.791 0.205 1.00 44.31 C ATOM 220 CD LYS A 17 -2.244 -5.525 1.267 1.00 22.44 C ATOM 221 CE LYS A 17 -1.405 -5.801 2.516 1.00 52.12 C ATOM 222 NZ LYS A 17 -1.816 -7.077 3.145 1.00 50.00 N ATOM 0 H LYS A 17 -3.293 -1.612 0.977 1.00 71.55 H new ATOM 0 HA LYS A 17 -0.839 -2.792 1.477 1.00 44.41 H new ATOM 0 HB2 LYS A 17 -3.106 -3.444 0.119 1.00 11.33 H new ATOM 0 HB3 LYS A 17 -1.968 -3.247 -1.199 1.00 11.33 H new ATOM 0 HG2 LYS A 17 -1.362 -5.399 -0.698 1.00 44.31 H new ATOM 0 HG3 LYS A 17 -0.402 -4.650 0.563 1.00 44.31 H new ATOM 0 HD2 LYS A 17 -3.115 -4.927 1.535 1.00 22.44 H new ATOM 0 HD3 LYS A 17 -2.615 -6.465 0.859 1.00 22.44 H new ATOM 0 HE2 LYS A 17 -0.349 -5.844 2.250 1.00 52.12 H new ATOM 0 HE3 LYS A 17 -1.522 -4.984 3.228 1.00 52.12 H new ATOM 0 HZ1 LYS A 17 -1.237 -7.249 3.991 1.00 50.00 H new ATOM 0 HZ2 LYS A 17 -2.818 -7.023 3.417 1.00 50.00 H new ATOM 0 HZ3 LYS A 17 -1.682 -7.856 2.469 1.00 50.00 H new HETATM 235 C1 ACA A 18 -0.200 -0.999 -7.050 1.00 10.10 C HETATM 236 O1 ACA A 18 0.343 -2.039 -7.418 1.00 54.34 O HETATM 237 C2 ACA A 18 -0.234 -1.179 -5.581 1.00 52.25 C HETATM 238 C3 ACA A 18 1.187 -1.267 -5.019 1.00 70.31 C HETATM 239 C4 ACA A 18 1.418 -0.201 -3.947 1.00 23.32 C HETATM 240 C5 ACA A 18 1.124 -0.755 -2.551 1.00 55.41 C HETATM 241 C6 ACA A 18 0.174 0.166 -1.784 1.00 4.32 C HETATM 242 N6 ACA A 18 -0.730 -0.612 -0.955 1.00 5.11 N HETATM 0 HN62 ACA A 18 -1.428 -0.140 -0.379 1.00 5.11 H new HETATM 0 H62 ACA A 18 0.748 0.853 -1.161 1.00 4.32 H new HETATM 0 H61 ACA A 18 -0.398 0.773 -2.485 1.00 4.32 H new HETATM 0 H52 ACA A 18 0.684 -1.748 -2.636 1.00 55.41 H new HETATM 0 H51 ACA A 18 2.056 -0.866 -1.996 1.00 55.41 H new HETATM 0 H42 ACA A 18 2.449 0.149 -3.993 1.00 23.32 H new HETATM 0 H41 ACA A 18 0.780 0.661 -4.142 1.00 23.32 H new HETATM 0 H32 ACA A 18 1.354 -2.257 -4.595 1.00 70.31 H new HETATM 0 H31 ACA A 18 1.910 -1.140 -5.825 1.00 70.31 H new HETATM 0 H22 ACA A 18 -0.763 -0.346 -5.119 1.00 52.25 H new HETATM 0 H21 ACA A 18 -0.787 -2.085 -5.332 1.00 52.25 H new ATOM 254 N LYS A 19 -1.353 -0.546 -7.521 1.00 54.43 N ATOM 255 CA LYS A 19 -2.081 -1.277 -8.544 1.00 61.11 C ATOM 256 C LYS A 19 -1.653 -0.776 -9.925 1.00 54.42 C ATOM 257 O LYS A 19 -0.502 -0.389 -10.120 1.00 15.41 O ATOM 258 CB LYS A 19 -3.588 -1.185 -8.297 1.00 51.14 C ATOM 259 CG LYS A 19 -3.892 -1.067 -6.803 1.00 44.31 C ATOM 260 CD LYS A 19 -5.329 -1.498 -6.500 1.00 25.22 C ATOM 261 CE LYS A 19 -5.427 -2.147 -5.117 1.00 73.45 C ATOM 262 NZ LYS A 19 -6.229 -3.389 -5.184 1.00 5.03 N ATOM 0 HA LYS A 19 -1.838 -2.339 -8.500 1.00 61.11 H new ATOM 0 HB2 LYS A 19 -3.994 -0.322 -8.824 1.00 51.14 H new ATOM 0 HB3 LYS A 19 -4.081 -2.068 -8.704 1.00 51.14 H new ATOM 0 HG2 LYS A 19 -3.196 -1.686 -6.237 1.00 44.31 H new ATOM 0 HG3 LYS A 19 -3.741 -0.038 -6.478 1.00 44.31 H new ATOM 0 HD2 LYS A 19 -5.990 -0.632 -6.547 1.00 25.22 H new ATOM 0 HD3 LYS A 19 -5.670 -2.201 -7.260 1.00 25.22 H new ATOM 0 HE2 LYS A 19 -4.428 -2.372 -4.742 1.00 73.45 H new ATOM 0 HE3 LYS A 19 -5.882 -1.450 -4.413 1.00 73.45 H new ATOM 0 HZ1 LYS A 19 -6.286 -3.817 -4.238 1.00 5.03 H new ATOM 0 HZ2 LYS A 19 -7.187 -3.166 -5.521 1.00 5.03 H new ATOM 0 HZ3 LYS A 19 -5.778 -4.058 -5.840 1.00 5.03 H new ATOM 275 N ASN A 20 -2.603 -0.800 -10.849 1.00 72.30 N ATOM 276 CA ASN A 20 -2.338 -0.354 -12.206 1.00 71.10 C ATOM 277 C ASN A 20 -1.427 0.875 -12.166 1.00 1.33 C ATOM 278 O ASN A 20 -1.895 1.993 -11.952 1.00 11.51 O ATOM 279 CB ASN A 20 -3.633 0.042 -12.918 1.00 24.11 C ATOM 280 CG ASN A 20 -4.706 0.463 -11.911 1.00 41.44 C ATOM 281 OD1 ASN A 20 -5.863 0.087 -12.005 1.00 3.43 O ATOM 282 ND2 ASN A 20 -4.259 1.262 -10.947 1.00 63.25 N ATOM 0 H ASN A 20 -3.557 -1.121 -10.684 1.00 72.30 H new ATOM 0 HA ASN A 20 -1.866 -1.176 -12.745 1.00 71.10 H new ATOM 0 HB2 ASN A 20 -3.436 0.862 -13.609 1.00 24.11 H new ATOM 0 HB3 ASN A 20 -3.996 -0.796 -13.513 1.00 24.11 H new ATOM 0 HD21 ASN A 20 -4.898 1.599 -10.227 1.00 63.25 H new ATOM 0 HD22 ASN A 20 -3.277 1.538 -10.928 1.00 63.25 H new ATOM 289 N GLU A 21 -0.142 0.626 -12.374 1.00 11.32 N ATOM 290 CA GLU A 21 0.839 1.698 -12.364 1.00 22.32 C ATOM 291 C GLU A 21 0.464 2.769 -13.390 1.00 32.02 C ATOM 292 O GLU A 21 0.802 3.940 -13.221 1.00 51.00 O ATOM 293 CB GLU A 21 2.245 1.156 -12.625 1.00 12.31 C ATOM 294 CG GLU A 21 3.006 0.952 -11.314 1.00 14.23 C ATOM 295 CD GLU A 21 4.332 0.227 -11.556 1.00 31.34 C ATOM 296 OE1 GLU A 21 4.921 -0.321 -10.612 1.00 75.15 O ATOM 297 OE2 GLU A 21 4.748 0.246 -12.777 1.00 14.10 O ATOM 0 H GLU A 21 0.242 -0.302 -12.550 1.00 11.32 H new ATOM 0 HA GLU A 21 0.840 2.155 -11.375 1.00 22.32 H new ATOM 0 HB2 GLU A 21 2.180 0.210 -13.163 1.00 12.31 H new ATOM 0 HB3 GLU A 21 2.793 1.849 -13.264 1.00 12.31 H new ATOM 0 HG2 GLU A 21 3.196 1.918 -10.846 1.00 14.23 H new ATOM 0 HG3 GLU A 21 2.394 0.376 -10.620 1.00 14.23 H new ATOM 305 N GLN A 22 -0.227 2.330 -14.431 1.00 64.53 N ATOM 306 CA GLN A 22 -0.650 3.237 -15.485 1.00 24.24 C ATOM 307 C GLN A 22 -1.452 4.399 -14.894 1.00 71.23 C ATOM 308 O GLN A 22 -1.161 5.561 -15.169 1.00 31.22 O ATOM 309 CB GLN A 22 -1.461 2.498 -16.552 1.00 21.25 C ATOM 310 CG GLN A 22 -1.124 3.015 -17.952 1.00 2.21 C ATOM 311 CD GLN A 22 -2.005 4.211 -18.321 1.00 62.01 C ATOM 312 OE1 GLN A 22 -2.845 4.656 -17.556 1.00 50.42 O ATOM 313 NE2 GLN A 22 -1.768 4.703 -19.533 1.00 31.31 N ATOM 0 H GLN A 22 -0.505 1.358 -14.568 1.00 64.53 H new ATOM 0 HA GLN A 22 0.239 3.642 -15.968 1.00 24.24 H new ATOM 0 HB2 GLN A 22 -1.254 1.429 -16.496 1.00 21.25 H new ATOM 0 HB3 GLN A 22 -2.526 2.627 -16.359 1.00 21.25 H new ATOM 0 HG2 GLN A 22 -0.074 3.305 -17.994 1.00 2.21 H new ATOM 0 HG3 GLN A 22 -1.263 2.217 -18.682 1.00 2.21 H new ATOM 0 HE21 GLN A 22 -1.050 4.283 -20.123 1.00 31.31 H new ATOM 0 HE22 GLN A 22 -2.304 5.501 -19.873 1.00 31.31 H new ATOM 322 N GLU A 23 -2.447 4.043 -14.094 1.00 12.14 N ATOM 323 CA GLU A 23 -3.293 5.041 -13.463 1.00 34.25 C ATOM 324 C GLU A 23 -2.446 6.005 -12.630 1.00 34.03 C ATOM 325 O GLU A 23 -2.780 7.183 -12.505 1.00 25.12 O ATOM 326 CB GLU A 23 -4.374 4.382 -12.605 1.00 52.23 C ATOM 327 CG GLU A 23 -5.640 4.119 -13.424 1.00 52.32 C ATOM 328 CD GLU A 23 -6.503 5.378 -13.516 1.00 64.52 C ATOM 329 OE1 GLU A 23 -6.022 6.429 -13.963 1.00 33.00 O ATOM 330 OE2 GLU A 23 -7.718 5.237 -13.104 1.00 22.44 O ATOM 0 H GLU A 23 -2.686 3.077 -13.869 1.00 12.14 H new ATOM 0 HA GLU A 23 -3.794 5.610 -14.246 1.00 34.25 H new ATOM 0 HB2 GLU A 23 -3.998 3.443 -12.198 1.00 52.23 H new ATOM 0 HB3 GLU A 23 -4.612 5.024 -11.757 1.00 52.23 H new ATOM 0 HG2 GLU A 23 -5.367 3.786 -14.426 1.00 52.32 H new ATOM 0 HG3 GLU A 23 -6.213 3.313 -12.966 1.00 52.32 H new ATOM 338 N LEU A 24 -1.364 5.471 -12.082 1.00 73.14 N ATOM 339 CA LEU A 24 -0.467 6.269 -11.265 1.00 12.22 C ATOM 340 C LEU A 24 0.323 7.222 -12.164 1.00 13.20 C ATOM 341 O LEU A 24 0.615 8.352 -11.774 1.00 42.53 O ATOM 342 CB LEU A 24 0.416 5.367 -10.401 1.00 44.31 C ATOM 343 CG LEU A 24 0.844 5.943 -9.049 1.00 43.44 C ATOM 344 CD1 LEU A 24 0.512 4.976 -7.911 1.00 40.43 C ATOM 345 CD2 LEU A 24 2.325 6.327 -9.061 1.00 40.20 C ATOM 0 H LEU A 24 -1.089 4.495 -12.188 1.00 73.14 H new ATOM 0 HA LEU A 24 -1.034 6.885 -10.567 1.00 12.22 H new ATOM 0 HB2 LEU A 24 -0.117 4.433 -10.223 1.00 44.31 H new ATOM 0 HB3 LEU A 24 1.313 5.119 -10.968 1.00 44.31 H new ATOM 0 HG LEU A 24 0.276 6.856 -8.871 1.00 43.44 H new ATOM 0 HD11 LEU A 24 0.826 5.410 -6.962 1.00 40.43 H new ATOM 0 HD12 LEU A 24 -0.563 4.795 -7.889 1.00 40.43 H new ATOM 0 HD13 LEU A 24 1.035 4.033 -8.070 1.00 40.43 H new ATOM 0 HD21 LEU A 24 2.603 6.734 -8.089 1.00 40.20 H new ATOM 0 HD22 LEU A 24 2.928 5.444 -9.271 1.00 40.20 H new ATOM 0 HD23 LEU A 24 2.500 7.078 -9.832 1.00 40.20 H new ATOM 357 N LEU A 25 0.647 6.731 -13.352 1.00 22.43 N ATOM 358 CA LEU A 25 1.396 7.526 -14.311 1.00 14.44 C ATOM 359 C LEU A 25 0.497 8.630 -14.868 1.00 25.33 C ATOM 360 O LEU A 25 0.980 9.689 -15.265 1.00 70.32 O ATOM 361 CB LEU A 25 2.008 6.628 -15.388 1.00 62.43 C ATOM 362 CG LEU A 25 2.466 7.333 -16.667 1.00 11.30 C ATOM 363 CD1 LEU A 25 3.986 7.252 -16.823 1.00 4.03 C ATOM 364 CD2 LEU A 25 1.734 6.778 -17.891 1.00 33.14 C ATOM 0 H LEU A 25 0.405 5.793 -13.672 1.00 22.43 H new ATOM 0 HA LEU A 25 2.237 8.018 -13.823 1.00 14.44 H new ATOM 0 HB2 LEU A 25 2.864 6.108 -14.957 1.00 62.43 H new ATOM 0 HB3 LEU A 25 1.276 5.867 -15.658 1.00 62.43 H new ATOM 0 HG LEU A 25 2.206 8.389 -16.587 1.00 11.30 H new ATOM 0 HD11 LEU A 25 4.285 7.760 -17.740 1.00 4.03 H new ATOM 0 HD12 LEU A 25 4.465 7.731 -15.969 1.00 4.03 H new ATOM 0 HD13 LEU A 25 4.292 6.207 -16.872 1.00 4.03 H new ATOM 0 HD21 LEU A 25 2.078 7.296 -18.786 1.00 33.14 H new ATOM 0 HD22 LEU A 25 1.941 5.712 -17.986 1.00 33.14 H new ATOM 0 HD23 LEU A 25 0.661 6.930 -17.773 1.00 33.14 H new ATOM 376 N GLU A 26 -0.797 8.345 -14.878 1.00 64.40 N ATOM 377 CA GLU A 26 -1.770 9.301 -15.379 1.00 3.01 C ATOM 378 C GLU A 26 -1.782 10.556 -14.504 1.00 11.22 C ATOM 379 O GLU A 26 -1.978 11.663 -15.002 1.00 34.33 O ATOM 380 CB GLU A 26 -3.165 8.675 -15.458 1.00 53.42 C ATOM 381 CG GLU A 26 -3.304 7.805 -16.710 1.00 4.14 C ATOM 382 CD GLU A 26 -3.784 8.635 -17.903 1.00 40.51 C ATOM 383 OE1 GLU A 26 -3.172 9.662 -18.228 1.00 31.53 O ATOM 384 OE2 GLU A 26 -4.831 8.176 -18.500 1.00 54.33 O ATOM 0 H GLU A 26 -1.194 7.466 -14.547 1.00 64.40 H new ATOM 0 HA GLU A 26 -1.479 9.589 -16.389 1.00 3.01 H new ATOM 0 HB2 GLU A 26 -3.348 8.071 -14.569 1.00 53.42 H new ATOM 0 HB3 GLU A 26 -3.920 9.461 -15.471 1.00 53.42 H new ATOM 0 HG2 GLU A 26 -2.345 7.344 -16.945 1.00 4.14 H new ATOM 0 HG3 GLU A 26 -4.008 6.995 -16.519 1.00 4.14 H new ATOM 392 N LEU A 27 -1.569 10.340 -13.214 1.00 11.11 N ATOM 393 CA LEU A 27 -1.552 11.440 -12.264 1.00 61.41 C ATOM 394 C LEU A 27 -0.379 12.368 -12.586 1.00 13.33 C ATOM 395 O LEU A 27 -0.456 13.574 -12.357 1.00 2.52 O ATOM 396 CB LEU A 27 -1.541 10.909 -10.829 1.00 70.54 C ATOM 397 CG LEU A 27 -2.399 11.679 -9.823 1.00 43.50 C ATOM 398 CD1 LEU A 27 -1.983 13.149 -9.759 1.00 12.14 C ATOM 399 CD2 LEU A 27 -3.889 11.518 -10.136 1.00 50.50 C ATOM 0 H LEU A 27 -1.407 9.420 -12.804 1.00 11.11 H new ATOM 0 HA LEU A 27 -2.462 12.034 -12.352 1.00 61.41 H new ATOM 0 HB2 LEU A 27 -1.876 9.872 -10.844 1.00 70.54 H new ATOM 0 HB3 LEU A 27 -0.511 10.906 -10.471 1.00 70.54 H new ATOM 0 HG LEU A 27 -2.230 11.253 -8.834 1.00 43.50 H new ATOM 0 HD11 LEU A 27 -2.609 13.673 -9.037 1.00 12.14 H new ATOM 0 HD12 LEU A 27 -0.939 13.219 -9.453 1.00 12.14 H new ATOM 0 HD13 LEU A 27 -2.104 13.605 -10.742 1.00 12.14 H new ATOM 0 HD21 LEU A 27 -4.476 12.075 -9.406 1.00 50.50 H new ATOM 0 HD22 LEU A 27 -4.094 11.901 -11.136 1.00 50.50 H new ATOM 0 HD23 LEU A 27 -4.159 10.463 -10.089 1.00 50.50 H new ATOM 411 N ASP A 28 0.680 11.770 -13.111 1.00 12.22 N ATOM 412 CA ASP A 28 1.868 12.528 -13.466 1.00 43.10 C ATOM 413 C ASP A 28 1.484 13.641 -14.442 1.00 34.21 C ATOM 414 O ASP A 28 1.879 14.792 -14.263 1.00 21.11 O ATOM 415 CB ASP A 28 2.906 11.635 -14.151 1.00 23.54 C ATOM 416 CG ASP A 28 4.322 12.213 -14.201 1.00 24.02 C ATOM 417 OD1 ASP A 28 4.629 13.080 -15.033 1.00 40.14 O ATOM 418 OD2 ASP A 28 5.138 11.732 -13.327 1.00 2.53 O ATOM 0 H ASP A 28 0.740 10.769 -13.299 1.00 12.22 H new ATOM 0 HA ASP A 28 2.293 12.938 -12.550 1.00 43.10 H new ATOM 0 HB2 ASP A 28 2.939 10.677 -13.632 1.00 23.54 H new ATOM 0 HB3 ASP A 28 2.575 11.434 -15.170 1.00 23.54 H new ATOM 424 N LYS A 29 0.719 13.260 -15.455 1.00 54.10 N ATOM 425 CA LYS A 29 0.278 14.212 -16.459 1.00 75.32 C ATOM 426 C LYS A 29 -0.739 15.169 -15.836 1.00 33.51 C ATOM 427 O LYS A 29 -0.779 16.349 -16.183 1.00 22.54 O ATOM 428 CB LYS A 29 -0.245 13.480 -17.697 1.00 75.42 C ATOM 429 CG LYS A 29 0.711 12.362 -18.118 1.00 43.21 C ATOM 430 CD LYS A 29 2.157 12.860 -18.153 1.00 54.33 C ATOM 431 CE LYS A 29 2.325 13.986 -19.176 1.00 44.01 C ATOM 432 NZ LYS A 29 2.312 13.442 -20.552 1.00 43.21 N ATOM 0 H LYS A 29 0.394 12.304 -15.601 1.00 54.10 H new ATOM 0 HA LYS A 29 1.116 14.817 -16.804 1.00 75.32 H new ATOM 0 HB2 LYS A 29 -1.230 13.062 -17.488 1.00 75.42 H new ATOM 0 HB3 LYS A 29 -0.367 14.187 -18.517 1.00 75.42 H new ATOM 0 HG2 LYS A 29 0.627 11.526 -17.423 1.00 43.21 H new ATOM 0 HG3 LYS A 29 0.428 11.988 -19.102 1.00 43.21 H new ATOM 0 HD2 LYS A 29 2.447 13.216 -17.164 1.00 54.33 H new ATOM 0 HD3 LYS A 29 2.824 12.035 -18.403 1.00 54.33 H new ATOM 0 HE2 LYS A 29 1.523 14.714 -19.059 1.00 44.01 H new ATOM 0 HE3 LYS A 29 3.262 14.512 -18.996 1.00 44.01 H new ATOM 0 HZ1 LYS A 29 2.478 14.212 -21.231 1.00 43.21 H new ATOM 0 HZ2 LYS A 29 3.061 12.727 -20.650 1.00 43.21 H new ATOM 0 HZ3 LYS A 29 1.388 13.004 -20.744 1.00 43.21 H new ATOM 445 N TRP A 30 -1.537 14.627 -14.929 1.00 2.23 N ATOM 446 CA TRP A 30 -2.551 15.419 -14.254 1.00 52.13 C ATOM 447 C TRP A 30 -1.840 16.450 -13.377 1.00 21.33 C ATOM 448 O TRP A 30 -2.391 17.512 -13.090 1.00 35.01 O ATOM 449 CB TRP A 30 -3.511 14.524 -13.466 1.00 51.32 C ATOM 450 CG TRP A 30 -4.803 15.222 -13.039 1.00 70.14 C ATOM 451 CD1 TRP A 30 -6.030 15.076 -13.559 1.00 63.12 C ATOM 452 CD2 TRP A 30 -4.950 16.187 -11.976 1.00 14.22 C ATOM 453 NE1 TRP A 30 -6.952 15.874 -12.912 1.00 2.12 N ATOM 454 CE2 TRP A 30 -6.274 16.571 -11.918 1.00 55.03 C ATOM 455 CE3 TRP A 30 -3.993 16.719 -11.092 1.00 65.34 C ATOM 456 CZ2 TRP A 30 -6.763 17.501 -10.994 1.00 74.42 C ATOM 457 CZ3 TRP A 30 -4.498 17.648 -10.175 1.00 22.10 C ATOM 458 CH2 TRP A 30 -5.828 18.044 -10.104 1.00 22.44 C ATOM 0 H TRP A 30 -1.502 13.648 -14.645 1.00 2.23 H new ATOM 0 HA TRP A 30 -3.172 15.947 -14.977 1.00 52.13 H new ATOM 0 HB2 TRP A 30 -3.763 13.655 -14.074 1.00 51.32 H new ATOM 0 HB3 TRP A 30 -3.000 14.154 -12.578 1.00 51.32 H new ATOM 0 HD1 TRP A 30 -6.267 14.417 -14.381 1.00 63.12 H new ATOM 0 HE1 TRP A 30 -7.948 15.940 -13.124 1.00 2.12 H new ATOM 0 HE3 TRP A 30 -2.952 16.433 -11.119 1.00 65.34 H new ATOM 0 HZ2 TRP A 30 -7.805 17.785 -10.969 1.00 74.42 H new ATOM 0 HZ3 TRP A 30 -3.805 18.088 -9.473 1.00 22.10 H new ATOM 0 HH2 TRP A 30 -6.139 18.768 -9.365 1.00 22.44 H new ATOM 469 N ALA A 31 -0.626 16.102 -12.975 1.00 34.21 N ATOM 470 CA ALA A 31 0.166 16.985 -12.136 1.00 33.31 C ATOM 471 C ALA A 31 0.293 18.350 -12.816 1.00 73.02 C ATOM 472 O ALA A 31 0.416 19.373 -12.145 1.00 35.41 O ATOM 473 CB ALA A 31 1.527 16.343 -11.861 1.00 33.32 C ATOM 0 H ALA A 31 -0.172 15.221 -13.215 1.00 34.21 H new ATOM 0 HA ALA A 31 -0.322 17.140 -11.174 1.00 33.31 H new ATOM 0 HB1 ALA A 31 2.121 17.005 -11.232 1.00 33.32 H new ATOM 0 HB2 ALA A 31 1.384 15.390 -11.351 1.00 33.32 H new ATOM 0 HB3 ALA A 31 2.047 16.175 -12.804 1.00 33.32 H new ATOM 479 N SER A 32 0.258 18.320 -14.141 1.00 35.43 N ATOM 480 CA SER A 32 0.368 19.543 -14.919 1.00 60.32 C ATOM 481 C SER A 32 -0.669 20.562 -14.443 1.00 3.10 C ATOM 482 O SER A 32 -0.423 21.767 -14.478 1.00 45.33 O ATOM 483 CB SER A 32 0.187 19.263 -16.413 1.00 12.30 C ATOM 484 OG SER A 32 0.654 20.341 -17.218 1.00 55.12 O ATOM 0 H SER A 32 0.155 17.469 -14.695 1.00 35.43 H new ATOM 0 HA SER A 32 1.367 19.953 -14.770 1.00 60.32 H new ATOM 0 HB2 SER A 32 0.724 18.353 -16.679 1.00 12.30 H new ATOM 0 HB3 SER A 32 -0.867 19.084 -16.623 1.00 12.30 H new ATOM 0 HG SER A 32 0.523 20.123 -18.164 1.00 55.12 H new ATOM 490 N LEU A 33 -1.807 20.041 -14.008 1.00 5.41 N ATOM 491 CA LEU A 33 -2.883 20.890 -13.524 1.00 20.15 C ATOM 492 C LEU A 33 -2.350 21.799 -12.415 1.00 15.04 C ATOM 493 O LEU A 33 -2.582 23.008 -12.432 1.00 42.13 O ATOM 494 CB LEU A 33 -4.084 20.044 -13.100 1.00 23.45 C ATOM 495 CG LEU A 33 -5.455 20.550 -13.554 1.00 33.54 C ATOM 496 CD1 LEU A 33 -6.358 19.388 -13.973 1.00 23.10 C ATOM 497 CD2 LEU A 33 -6.103 21.421 -12.476 1.00 62.43 C ATOM 0 H LEU A 33 -2.008 19.041 -13.981 1.00 5.41 H new ATOM 0 HA LEU A 33 -3.245 21.538 -14.322 1.00 20.15 H new ATOM 0 HB2 LEU A 33 -3.946 19.034 -13.485 1.00 23.45 H new ATOM 0 HB3 LEU A 33 -4.087 19.973 -12.012 1.00 23.45 H new ATOM 0 HG LEU A 33 -5.313 21.179 -14.433 1.00 33.54 H new ATOM 0 HD11 LEU A 33 -7.326 19.776 -14.291 1.00 23.10 H new ATOM 0 HD12 LEU A 33 -5.895 18.847 -14.798 1.00 23.10 H new ATOM 0 HD13 LEU A 33 -6.497 18.713 -13.129 1.00 23.10 H new ATOM 0 HD21 LEU A 33 -7.076 21.767 -12.824 1.00 62.43 H new ATOM 0 HD22 LEU A 33 -6.231 20.837 -11.565 1.00 62.43 H new ATOM 0 HD23 LEU A 33 -5.465 22.280 -12.270 1.00 62.43 H new ATOM 509 N TRP A 34 -1.643 21.185 -11.478 1.00 44.52 N ATOM 510 CA TRP A 34 -1.075 21.924 -10.363 1.00 53.51 C ATOM 511 C TRP A 34 -0.249 23.078 -10.934 1.00 2.45 C ATOM 512 O TRP A 34 -0.589 24.245 -10.740 1.00 62.12 O ATOM 513 CB TRP A 34 -0.263 21.002 -9.451 1.00 12.23 C ATOM 514 CG TRP A 34 -1.074 20.383 -8.310 1.00 33.54 C ATOM 515 CD1 TRP A 34 -1.651 19.175 -8.269 1.00 1.21 C ATOM 516 CD2 TRP A 34 -1.377 20.998 -7.040 1.00 41.32 C ATOM 517 NE1 TRP A 34 -2.300 18.965 -7.069 1.00 71.42 N ATOM 518 CE2 TRP A 34 -2.128 20.109 -6.298 1.00 34.13 C ATOM 519 CE3 TRP A 34 -1.027 22.262 -6.534 1.00 0.34 C ATOM 520 CZ2 TRP A 34 -2.593 20.389 -5.008 1.00 24.10 C ATOM 521 CZ3 TRP A 34 -1.499 22.527 -5.243 1.00 43.23 C ATOM 522 CH2 TRP A 34 -2.257 21.643 -4.483 1.00 72.42 C ATOM 0 H TRP A 34 -1.450 20.183 -11.468 1.00 44.52 H new ATOM 0 HA TRP A 34 -1.862 22.337 -9.732 1.00 53.51 H new ATOM 0 HB2 TRP A 34 0.169 20.202 -10.052 1.00 12.23 H new ATOM 0 HB3 TRP A 34 0.568 21.566 -9.028 1.00 12.23 H new ATOM 0 HD1 TRP A 34 -1.613 18.456 -9.074 1.00 1.21 H new ATOM 0 HE1 TRP A 34 -2.812 18.125 -6.798 1.00 71.42 H new ATOM 0 HE3 TRP A 34 -0.440 22.973 -7.097 1.00 0.34 H new ATOM 0 HZ2 TRP A 34 -3.180 19.676 -4.447 1.00 24.10 H new ATOM 0 HZ3 TRP A 34 -1.258 23.485 -4.807 1.00 43.23 H new ATOM 0 HH2 TRP A 34 -2.585 21.922 -3.493 1.00 72.42 H new ATOM 533 N ASN A 35 0.821 22.713 -11.626 1.00 1.15 N ATOM 534 CA ASN A 35 1.698 23.704 -12.225 1.00 22.44 C ATOM 535 C ASN A 35 1.988 23.312 -13.675 1.00 70.21 C ATOM 536 O ASN A 35 2.900 23.852 -14.298 1.00 0.04 O ATOM 537 CB ASN A 35 3.033 23.781 -11.481 1.00 60.20 C ATOM 538 CG ASN A 35 2.965 23.022 -10.155 1.00 1.15 C ATOM 539 OD1 ASN A 35 2.468 23.512 -9.153 1.00 53.43 O ATOM 540 ND2 ASN A 35 3.492 21.801 -10.203 1.00 62.42 N ATOM 0 H ASN A 35 1.100 21.745 -11.785 1.00 1.15 H new ATOM 0 HA ASN A 35 1.199 24.672 -12.171 1.00 22.44 H new ATOM 0 HB2 ASN A 35 3.825 23.364 -12.103 1.00 60.20 H new ATOM 0 HB3 ASN A 35 3.290 24.824 -11.295 1.00 60.20 H new ATOM 0 HD21 ASN A 35 3.496 21.214 -9.369 1.00 62.42 H new ATOM 0 HD22 ASN A 35 3.892 21.452 -11.074 1.00 62.42 H new TER 547 ASN A 35