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 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.111 (180deg=0) USER MOD Single : A 15 SER OG : rot 56:sc= 0.371 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.378 (180deg=-1.23) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0195) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.125 X(o=0.13,f=-0.029) USER MOD Single : A 22 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0443 K(o=-0.044,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.775 3.591 -1.529 1.00 13.34 N ATOM 2 CA GLY A 1 -26.963 3.355 -2.711 1.00 30.13 C ATOM 3 C GLY A 1 -26.881 1.861 -3.031 1.00 61.42 C ATOM 4 O GLY A 1 -27.502 1.043 -2.353 1.00 15.32 O ATOM 0 H1 GLY A 1 -28.619 4.139 -1.791 1.00 13.34 H new ATOM 0 H2 GLY A 1 -28.067 2.680 -1.121 1.00 13.34 H new ATOM 0 H3 GLY A 1 -27.221 4.123 -0.828 1.00 13.34 H new ATOM 0 HA2 GLY A 1 -27.387 3.890 -3.561 1.00 30.13 H new ATOM 0 HA3 GLY A 1 -25.960 3.752 -2.553 1.00 30.13 H new ATOM 8 N ILE A 2 -26.110 1.550 -4.062 1.00 13.14 N ATOM 9 CA ILE A 2 -25.939 0.169 -4.480 1.00 14.24 C ATOM 10 C ILE A 2 -24.728 -0.429 -3.762 1.00 75.11 C ATOM 11 O ILE A 2 -24.392 -0.017 -2.653 1.00 5.21 O ATOM 12 CB ILE A 2 -25.858 0.076 -6.005 1.00 43.13 C ATOM 13 CG1 ILE A 2 -24.508 0.584 -6.514 1.00 13.24 C ATOM 14 CG2 ILE A 2 -27.030 0.808 -6.662 1.00 1.00 C ATOM 15 CD1 ILE A 2 -24.631 1.142 -7.934 1.00 71.10 C ATOM 0 H ILE A 2 -25.596 2.231 -4.621 1.00 13.14 H new ATOM 0 HA ILE A 2 -26.806 -0.426 -4.194 1.00 14.24 H new ATOM 0 HB ILE A 2 -25.935 -0.974 -6.288 1.00 43.13 H new ATOM 0 HG12 ILE A 2 -24.132 1.359 -5.846 1.00 13.24 H new ATOM 0 HG13 ILE A 2 -23.781 -0.228 -6.500 1.00 13.24 H new ATOM 0 HG21 ILE A 2 -26.948 0.726 -7.746 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -27.968 0.361 -6.334 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -27.009 1.859 -6.375 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -23.657 1.496 -8.271 1.00 71.10 H new ATOM 0 HD12 ILE A 2 -24.984 0.358 -8.604 1.00 71.10 H new ATOM 0 HD13 ILE A 2 -25.340 1.970 -7.939 1.00 71.10 H new ATOM 27 N GLY A 3 -24.105 -1.394 -4.424 1.00 13.50 N ATOM 28 CA GLY A 3 -22.938 -2.053 -3.863 1.00 61.01 C ATOM 29 C GLY A 3 -21.656 -1.300 -4.224 1.00 11.21 C ATOM 30 O GLY A 3 -20.560 -1.846 -4.114 1.00 34.13 O ATOM 0 H GLY A 3 -24.387 -1.735 -5.343 1.00 13.50 H new ATOM 0 HA2 GLY A 3 -23.036 -2.113 -2.779 1.00 61.01 H new ATOM 0 HA3 GLY A 3 -22.880 -3.076 -4.235 1.00 61.01 H new ATOM 34 N ALA A 4 -21.837 -0.057 -4.647 1.00 60.13 N ATOM 35 CA ALA A 4 -20.708 0.776 -5.023 1.00 15.34 C ATOM 36 C ALA A 4 -19.936 1.181 -3.766 1.00 0.31 C ATOM 37 O ALA A 4 -18.712 1.303 -3.797 1.00 4.40 O ATOM 38 CB ALA A 4 -21.208 1.985 -5.816 1.00 45.31 C ATOM 0 H ALA A 4 -22.748 0.393 -4.737 1.00 60.13 H new ATOM 0 HA ALA A 4 -20.022 0.225 -5.666 1.00 15.34 H new ATOM 0 HB1 ALA A 4 -20.361 2.610 -6.098 1.00 45.31 H new ATOM 0 HB2 ALA A 4 -21.722 1.643 -6.714 1.00 45.31 H new ATOM 0 HB3 ALA A 4 -21.897 2.564 -5.201 1.00 45.31 H new ATOM 44 N LEU A 5 -20.683 1.378 -2.690 1.00 24.21 N ATOM 45 CA LEU A 5 -20.085 1.767 -1.424 1.00 54.11 C ATOM 46 C LEU A 5 -18.944 0.804 -1.088 1.00 51.41 C ATOM 47 O LEU A 5 -17.874 1.230 -0.654 1.00 4.35 O ATOM 48 CB LEU A 5 -21.152 1.861 -0.333 1.00 43.25 C ATOM 49 CG LEU A 5 -21.029 3.048 0.625 1.00 5.42 C ATOM 50 CD1 LEU A 5 -19.640 3.098 1.262 1.00 14.20 C ATOM 51 CD2 LEU A 5 -21.385 4.359 -0.079 1.00 13.11 C ATOM 0 H LEU A 5 -21.698 1.275 -2.669 1.00 24.21 H new ATOM 0 HA LEU A 5 -19.651 2.764 -1.498 1.00 54.11 H new ATOM 0 HB2 LEU A 5 -22.130 1.906 -0.812 1.00 43.25 H new ATOM 0 HB3 LEU A 5 -21.126 0.942 0.253 1.00 43.25 H new ATOM 0 HG LEU A 5 -21.748 2.911 1.433 1.00 5.42 H new ATOM 0 HD11 LEU A 5 -19.580 3.951 1.938 1.00 14.20 H new ATOM 0 HD12 LEU A 5 -19.463 2.179 1.821 1.00 14.20 H new ATOM 0 HD13 LEU A 5 -18.885 3.200 0.482 1.00 14.20 H new ATOM 0 HD21 LEU A 5 -21.290 5.187 0.624 1.00 13.11 H new ATOM 0 HD22 LEU A 5 -20.708 4.516 -0.919 1.00 13.11 H new ATOM 0 HD23 LEU A 5 -22.411 4.309 -0.444 1.00 13.11 H new ATOM 63 N PHE A 6 -19.211 -0.476 -1.299 1.00 10.34 N ATOM 64 CA PHE A 6 -18.220 -1.502 -1.024 1.00 14.10 C ATOM 65 C PHE A 6 -16.948 -1.270 -1.841 1.00 14.43 C ATOM 66 O PHE A 6 -15.840 -1.392 -1.320 1.00 52.02 O ATOM 67 CB PHE A 6 -18.838 -2.841 -1.433 1.00 33.20 C ATOM 68 CG PHE A 6 -17.819 -3.871 -1.927 1.00 43.23 C ATOM 69 CD1 PHE A 6 -16.731 -4.171 -1.166 1.00 3.21 C ATOM 70 CD2 PHE A 6 -18.001 -4.487 -3.125 1.00 54.41 C ATOM 71 CE1 PHE A 6 -15.787 -5.126 -1.624 1.00 54.12 C ATOM 72 CE2 PHE A 6 -17.056 -5.443 -3.583 1.00 51.34 C ATOM 73 CZ PHE A 6 -15.969 -5.743 -2.822 1.00 51.30 C ATOM 0 H PHE A 6 -20.099 -0.826 -1.657 1.00 10.34 H new ATOM 0 HA PHE A 6 -17.949 -1.484 0.032 1.00 14.10 H new ATOM 0 HB2 PHE A 6 -19.376 -3.257 -0.581 1.00 33.20 H new ATOM 0 HB3 PHE A 6 -19.573 -2.666 -2.219 1.00 33.20 H new ATOM 0 HD1 PHE A 6 -16.586 -3.682 -0.214 1.00 3.21 H new ATOM 0 HD2 PHE A 6 -18.864 -4.249 -3.729 1.00 54.41 H new ATOM 0 HE1 PHE A 6 -14.923 -5.363 -1.021 1.00 54.12 H new ATOM 0 HE2 PHE A 6 -17.200 -5.932 -4.535 1.00 51.34 H new ATOM 0 HZ PHE A 6 -15.251 -6.471 -3.169 1.00 51.30 H new ATOM 83 N LEU A 7 -17.148 -0.939 -3.108 1.00 65.24 N ATOM 84 CA LEU A 7 -16.031 -0.689 -4.002 1.00 70.20 C ATOM 85 C LEU A 7 -15.186 0.460 -3.446 1.00 21.34 C ATOM 86 O LEU A 7 -13.977 0.510 -3.670 1.00 64.02 O ATOM 87 CB LEU A 7 -16.529 -0.452 -5.429 1.00 1.44 C ATOM 88 CG LEU A 7 -15.988 -1.406 -6.497 1.00 42.34 C ATOM 89 CD1 LEU A 7 -14.462 -1.335 -6.571 1.00 3.12 C ATOM 90 CD2 LEU A 7 -16.485 -2.833 -6.258 1.00 24.12 C ATOM 0 H LEU A 7 -18.068 -0.838 -3.537 1.00 65.24 H new ATOM 0 HA LEU A 7 -15.384 -1.564 -4.057 1.00 70.20 H new ATOM 0 HB2 LEU A 7 -17.617 -0.519 -5.428 1.00 1.44 H new ATOM 0 HB3 LEU A 7 -16.272 0.567 -5.717 1.00 1.44 H new ATOM 0 HG LEU A 7 -16.373 -1.089 -7.466 1.00 42.34 H new ATOM 0 HD11 LEU A 7 -14.103 -2.022 -7.337 1.00 3.12 H new ATOM 0 HD12 LEU A 7 -14.157 -0.319 -6.822 1.00 3.12 H new ATOM 0 HD13 LEU A 7 -14.038 -1.613 -5.606 1.00 3.12 H new ATOM 0 HD21 LEU A 7 -16.087 -3.491 -7.030 1.00 24.12 H new ATOM 0 HD22 LEU A 7 -16.149 -3.176 -5.280 1.00 24.12 H new ATOM 0 HD23 LEU A 7 -17.574 -2.850 -6.294 1.00 24.12 H new ATOM 102 N GLY A 8 -15.857 1.354 -2.734 1.00 33.34 N ATOM 103 CA GLY A 8 -15.183 2.499 -2.146 1.00 51.32 C ATOM 104 C GLY A 8 -14.568 2.137 -0.792 1.00 23.22 C ATOM 105 O GLY A 8 -13.642 2.801 -0.330 1.00 63.54 O ATOM 0 H GLY A 8 -16.859 1.308 -2.551 1.00 33.34 H new ATOM 0 HA2 GLY A 8 -14.403 2.853 -2.821 1.00 51.32 H new ATOM 0 HA3 GLY A 8 -15.892 3.318 -2.021 1.00 51.32 H new ATOM 109 N PHE A 9 -15.108 1.085 -0.196 1.00 63.31 N ATOM 110 CA PHE A 9 -14.626 0.626 1.096 1.00 54.31 C ATOM 111 C PHE A 9 -13.303 -0.130 0.949 1.00 14.22 C ATOM 112 O PHE A 9 -12.326 0.184 1.629 1.00 23.15 O ATOM 113 CB PHE A 9 -15.683 -0.325 1.657 1.00 61.12 C ATOM 114 CG PHE A 9 -15.814 -0.281 3.182 1.00 31.23 C ATOM 115 CD1 PHE A 9 -15.919 0.915 3.820 1.00 43.20 C ATOM 116 CD2 PHE A 9 -15.824 -1.437 3.897 1.00 75.44 C ATOM 117 CE1 PHE A 9 -16.040 0.956 5.234 1.00 62.13 C ATOM 118 CE2 PHE A 9 -15.945 -1.397 5.311 1.00 4.34 C ATOM 119 CZ PHE A 9 -16.051 -0.201 5.950 1.00 32.31 C ATOM 0 H PHE A 9 -15.875 0.536 -0.584 1.00 63.31 H new ATOM 0 HA PHE A 9 -14.457 1.478 1.754 1.00 54.31 H new ATOM 0 HB2 PHE A 9 -16.648 -0.082 1.213 1.00 61.12 H new ATOM 0 HB3 PHE A 9 -15.439 -1.343 1.353 1.00 61.12 H new ATOM 0 HD1 PHE A 9 -15.910 1.833 3.252 1.00 43.20 H new ATOM 0 HD2 PHE A 9 -15.740 -2.386 3.389 1.00 75.44 H new ATOM 0 HE1 PHE A 9 -16.123 1.906 5.741 1.00 62.13 H new ATOM 0 HE2 PHE A 9 -15.953 -2.316 5.879 1.00 4.34 H new ATOM 0 HZ PHE A 9 -16.144 -0.170 7.026 1.00 32.31 H new ATOM 129 N LEU A 10 -13.315 -1.110 0.059 1.00 34.25 N ATOM 130 CA LEU A 10 -12.129 -1.913 -0.186 1.00 53.43 C ATOM 131 C LEU A 10 -11.047 -1.038 -0.823 1.00 43.54 C ATOM 132 O LEU A 10 -9.860 -1.348 -0.735 1.00 50.32 O ATOM 133 CB LEU A 10 -12.481 -3.152 -1.011 1.00 34.02 C ATOM 134 CG LEU A 10 -12.237 -3.047 -2.518 1.00 15.31 C ATOM 135 CD1 LEU A 10 -12.808 -1.742 -3.075 1.00 12.13 C ATOM 136 CD2 LEU A 10 -10.750 -3.208 -2.845 1.00 51.13 C ATOM 0 H LEU A 10 -14.127 -1.367 -0.502 1.00 34.25 H new ATOM 0 HA LEU A 10 -11.724 -2.288 0.754 1.00 53.43 H new ATOM 0 HB2 LEU A 10 -11.905 -3.995 -0.628 1.00 34.02 H new ATOM 0 HB3 LEU A 10 -13.533 -3.385 -0.849 1.00 34.02 H new ATOM 0 HG LEU A 10 -12.765 -3.865 -3.008 1.00 15.31 H new ATOM 0 HD11 LEU A 10 -12.621 -1.692 -4.148 1.00 12.13 H new ATOM 0 HD12 LEU A 10 -13.882 -1.707 -2.891 1.00 12.13 H new ATOM 0 HD13 LEU A 10 -12.328 -0.896 -2.583 1.00 12.13 H new ATOM 0 HD21 LEU A 10 -10.604 -3.129 -3.922 1.00 51.13 H new ATOM 0 HD22 LEU A 10 -10.180 -2.426 -2.343 1.00 51.13 H new ATOM 0 HD23 LEU A 10 -10.406 -4.184 -2.502 1.00 51.13 H new ATOM 148 N GLY A 11 -11.496 0.040 -1.449 1.00 52.00 N ATOM 149 CA GLY A 11 -10.582 0.963 -2.100 1.00 13.20 C ATOM 150 C GLY A 11 -9.542 1.493 -1.111 1.00 52.43 C ATOM 151 O GLY A 11 -8.344 1.471 -1.392 1.00 43.00 O ATOM 0 H GLY A 11 -12.481 0.295 -1.519 1.00 52.00 H new ATOM 0 HA2 GLY A 11 -10.080 0.461 -2.927 1.00 13.20 H new ATOM 0 HA3 GLY A 11 -11.142 1.796 -2.526 1.00 13.20 H new ATOM 155 N ALA A 12 -10.037 1.958 0.027 1.00 62.03 N ATOM 156 CA ALA A 12 -9.165 2.492 1.060 1.00 5.55 C ATOM 157 C ALA A 12 -8.087 1.460 1.396 1.00 41.32 C ATOM 158 O ALA A 12 -6.913 1.805 1.530 1.00 63.22 O ATOM 159 CB ALA A 12 -10.000 2.883 2.281 1.00 4.24 C ATOM 0 H ALA A 12 -11.031 1.976 0.256 1.00 62.03 H new ATOM 0 HA ALA A 12 -8.660 3.392 0.709 1.00 5.55 H new ATOM 0 HB1 ALA A 12 -9.346 3.283 3.056 1.00 4.24 H new ATOM 0 HB2 ALA A 12 -10.730 3.640 1.995 1.00 4.24 H new ATOM 0 HB3 ALA A 12 -10.519 2.004 2.663 1.00 4.24 H new ATOM 165 N ALA A 13 -8.523 0.216 1.522 1.00 65.44 N ATOM 166 CA ALA A 13 -7.611 -0.868 1.840 1.00 54.05 C ATOM 167 C ALA A 13 -6.645 -1.076 0.672 1.00 73.21 C ATOM 168 O ALA A 13 -5.497 -1.471 0.873 1.00 4.24 O ATOM 169 CB ALA A 13 -8.411 -2.130 2.168 1.00 35.43 C ATOM 0 H ALA A 13 -9.497 -0.065 1.409 1.00 65.44 H new ATOM 0 HA ALA A 13 -7.016 -0.623 2.720 1.00 54.05 H new ATOM 0 HB1 ALA A 13 -7.726 -2.943 2.407 1.00 35.43 H new ATOM 0 HB2 ALA A 13 -9.059 -1.938 3.024 1.00 35.43 H new ATOM 0 HB3 ALA A 13 -9.020 -2.409 1.308 1.00 35.43 H new ATOM 175 N GLY A 14 -7.146 -0.801 -0.523 1.00 2.31 N ATOM 176 CA GLY A 14 -6.342 -0.953 -1.724 1.00 12.15 C ATOM 177 C GLY A 14 -5.161 0.019 -1.720 1.00 55.14 C ATOM 178 O GLY A 14 -4.006 -0.402 -1.765 1.00 60.12 O ATOM 0 H GLY A 14 -8.098 -0.474 -0.686 1.00 2.31 H new ATOM 0 HA2 GLY A 14 -5.975 -1.977 -1.793 1.00 12.15 H new ATOM 0 HA3 GLY A 14 -6.960 -0.776 -2.604 1.00 12.15 H new ATOM 182 N SER A 15 -5.490 1.301 -1.666 1.00 51.42 N ATOM 183 CA SER A 15 -4.471 2.336 -1.655 1.00 51.12 C ATOM 184 C SER A 15 -3.402 2.007 -0.611 1.00 43.42 C ATOM 185 O SER A 15 -2.211 1.997 -0.917 1.00 32.24 O ATOM 186 CB SER A 15 -5.083 3.710 -1.373 1.00 74.11 C ATOM 187 OG SER A 15 -6.420 3.609 -0.892 1.00 44.20 O ATOM 0 H SER A 15 -6.449 1.647 -1.629 1.00 51.42 H new ATOM 0 HA SER A 15 -4.008 2.370 -2.641 1.00 51.12 H new ATOM 0 HB2 SER A 15 -4.472 4.235 -0.639 1.00 74.11 H new ATOM 0 HB3 SER A 15 -5.070 4.307 -2.285 1.00 74.11 H new ATOM 0 HG SER A 15 -6.438 3.043 -0.092 1.00 44.20 H new ATOM 193 N LYS A 16 -3.866 1.745 0.603 1.00 4.42 N ATOM 194 CA LYS A 16 -2.965 1.417 1.693 1.00 72.35 C ATOM 195 C LYS A 16 -1.935 0.394 1.209 1.00 62.22 C ATOM 196 O LYS A 16 -0.748 0.703 1.107 1.00 24.34 O ATOM 197 CB LYS A 16 -3.755 0.960 2.921 1.00 63.55 C ATOM 198 CG LYS A 16 -2.845 0.843 4.147 1.00 4.12 C ATOM 199 CD LYS A 16 -2.624 2.210 4.797 1.00 11.21 C ATOM 200 CE LYS A 16 -3.876 2.670 5.546 1.00 55.33 C ATOM 201 NZ LYS A 16 -4.472 1.544 6.299 1.00 1.24 N ATOM 0 H LYS A 16 -4.854 1.754 0.855 1.00 4.42 H new ATOM 0 HA LYS A 16 -2.412 2.301 2.009 1.00 72.35 H new ATOM 0 HB2 LYS A 16 -4.558 1.669 3.126 1.00 63.55 H new ATOM 0 HB3 LYS A 16 -4.224 -0.003 2.718 1.00 63.55 H new ATOM 0 HG2 LYS A 16 -3.290 0.160 4.871 1.00 4.12 H new ATOM 0 HG3 LYS A 16 -1.886 0.416 3.853 1.00 4.12 H new ATOM 0 HD2 LYS A 16 -1.782 2.157 5.487 1.00 11.21 H new ATOM 0 HD3 LYS A 16 -2.364 2.942 4.033 1.00 11.21 H new ATOM 0 HE2 LYS A 16 -3.621 3.479 6.231 1.00 55.33 H new ATOM 0 HE3 LYS A 16 -4.604 3.069 4.839 1.00 55.33 H new ATOM 0 HZ1 LYS A 16 -5.050 1.916 7.080 1.00 1.24 H new ATOM 0 HZ2 LYS A 16 -5.071 0.980 5.663 1.00 1.24 H new ATOM 0 HZ3 LYS A 16 -3.715 0.944 6.684 1.00 1.24 H new ATOM 214 N LYS A 17 -2.427 -0.802 0.923 1.00 33.31 N ATOM 215 CA LYS A 17 -1.564 -1.872 0.451 1.00 51.24 C ATOM 216 C LYS A 17 -0.718 -1.362 -0.718 1.00 52.45 C ATOM 217 O LYS A 17 0.386 -0.858 -0.515 1.00 33.42 O ATOM 218 CB LYS A 17 -2.388 -3.117 0.115 1.00 44.34 C ATOM 219 CG LYS A 17 -2.969 -3.748 1.383 1.00 14.10 C ATOM 220 CD LYS A 17 -1.866 -4.370 2.242 1.00 12.04 C ATOM 221 CE LYS A 17 -2.249 -5.782 2.687 1.00 74.52 C ATOM 222 NZ LYS A 17 -2.171 -6.724 1.548 1.00 32.34 N ATOM 0 H LYS A 17 -3.412 -1.054 1.009 1.00 33.31 H new ATOM 0 HA LYS A 17 -0.873 -2.177 1.237 1.00 51.24 H new ATOM 0 HB2 LYS A 17 -3.196 -2.850 -0.566 1.00 44.34 H new ATOM 0 HB3 LYS A 17 -1.762 -3.843 -0.403 1.00 44.34 H new ATOM 0 HG2 LYS A 17 -3.500 -2.991 1.960 1.00 14.10 H new ATOM 0 HG3 LYS A 17 -3.698 -4.512 1.112 1.00 14.10 H new ATOM 0 HD2 LYS A 17 -0.935 -4.403 1.676 1.00 12.04 H new ATOM 0 HD3 LYS A 17 -1.686 -3.745 3.117 1.00 12.04 H new ATOM 0 HE2 LYS A 17 -1.583 -6.111 3.485 1.00 74.52 H new ATOM 0 HE3 LYS A 17 -3.259 -5.779 3.096 1.00 74.52 H new ATOM 0 HZ1 LYS A 17 -2.267 -7.699 1.897 1.00 32.34 H new ATOM 0 HZ2 LYS A 17 -2.937 -6.520 0.875 1.00 32.34 H new ATOM 0 HZ3 LYS A 17 -1.253 -6.616 1.070 1.00 32.34 H new HETATM 235 C1 ACA A 18 1.055 2.273 -6.464 1.00 41.11 C HETATM 236 O1 ACA A 18 1.063 3.403 -6.948 1.00 12.34 O HETATM 237 C2 ACA A 18 0.730 2.555 -5.048 1.00 52.54 C HETATM 238 C3 ACA A 18 -0.645 1.989 -4.689 1.00 11.22 C HETATM 239 C4 ACA A 18 -0.746 0.511 -5.072 1.00 63.22 C HETATM 240 C5 ACA A 18 -1.525 -0.276 -4.016 1.00 62.42 C HETATM 241 C6 ACA A 18 -0.579 -1.070 -3.114 1.00 31.02 C HETATM 242 N6 ACA A 18 -1.269 -1.509 -1.914 1.00 53.04 N HETATM 0 HN61 ACA A 18 -2.252 -1.273 -1.776 1.00 53.04 H new HETATM 0 H62 ACA A 18 -0.191 -1.934 -3.654 1.00 31.02 H new HETATM 0 H61 ACA A 18 0.278 -0.453 -2.843 1.00 31.02 H new HETATM 0 H52 ACA A 18 -2.119 0.409 -3.412 1.00 62.42 H new HETATM 0 H51 ACA A 18 -2.222 -0.956 -4.505 1.00 62.42 H new HETATM 0 H42 ACA A 18 -1.239 0.415 -6.039 1.00 63.22 H new HETATM 0 H41 ACA A 18 0.254 0.090 -5.180 1.00 63.22 H new HETATM 0 H32 ACA A 18 -0.822 2.104 -3.620 1.00 11.22 H new HETATM 0 H31 ACA A 18 -1.421 2.556 -5.203 1.00 11.22 H new HETATM 0 H22 ACA A 18 1.490 2.117 -4.401 1.00 52.54 H new HETATM 0 H21 ACA A 18 0.744 3.631 -4.873 1.00 52.54 H new ATOM 254 N LYS A 19 2.042 1.398 -6.582 1.00 53.11 N ATOM 255 CA LYS A 19 3.249 1.728 -7.321 1.00 70.41 C ATOM 256 C LYS A 19 3.106 1.242 -8.764 1.00 34.42 C ATOM 257 O LYS A 19 2.516 1.927 -9.598 1.00 31.22 O ATOM 258 CB LYS A 19 4.483 1.175 -6.605 1.00 13.35 C ATOM 259 CG LYS A 19 5.740 1.357 -7.459 1.00 21.13 C ATOM 260 CD LYS A 19 6.955 1.677 -6.586 1.00 2.44 C ATOM 261 CE LYS A 19 7.089 3.185 -6.367 1.00 12.34 C ATOM 262 NZ LYS A 19 7.857 3.803 -7.472 1.00 63.11 N ATOM 0 HA LYS A 19 3.389 2.808 -7.360 1.00 70.41 H new ATOM 0 HB2 LYS A 19 4.612 1.683 -5.649 1.00 13.35 H new ATOM 0 HB3 LYS A 19 4.337 0.117 -6.386 1.00 13.35 H new ATOM 0 HG2 LYS A 19 5.929 0.449 -8.032 1.00 21.13 H new ATOM 0 HG3 LYS A 19 5.582 2.161 -8.178 1.00 21.13 H new ATOM 0 HD2 LYS A 19 6.859 1.173 -5.624 1.00 2.44 H new ATOM 0 HD3 LYS A 19 7.859 1.293 -7.059 1.00 2.44 H new ATOM 0 HE2 LYS A 19 6.100 3.639 -6.305 1.00 12.34 H new ATOM 0 HE3 LYS A 19 7.588 3.378 -5.417 1.00 12.34 H new ATOM 0 HZ1 LYS A 19 7.939 4.827 -7.308 1.00 63.11 H new ATOM 0 HZ2 LYS A 19 8.807 3.382 -7.512 1.00 63.11 H new ATOM 0 HZ3 LYS A 19 7.365 3.635 -8.373 1.00 63.11 H new ATOM 275 N ASN A 20 3.657 0.063 -9.016 1.00 24.23 N ATOM 276 CA ASN A 20 3.598 -0.523 -10.345 1.00 54.24 C ATOM 277 C ASN A 20 3.368 -2.031 -10.223 1.00 11.21 C ATOM 278 O ASN A 20 4.201 -2.746 -9.668 1.00 22.31 O ATOM 279 CB ASN A 20 4.910 -0.303 -11.101 1.00 31.22 C ATOM 280 CG ASN A 20 4.670 0.461 -12.405 1.00 63.31 C ATOM 281 OD1 ASN A 20 5.041 0.031 -13.484 1.00 74.51 O ATOM 282 ND2 ASN A 20 4.029 1.615 -12.244 1.00 5.24 N ATOM 0 H ASN A 20 4.146 -0.502 -8.322 1.00 24.23 H new ATOM 0 HA ASN A 20 2.783 -0.045 -10.890 1.00 54.24 H new ATOM 0 HB2 ASN A 20 5.607 0.252 -10.473 1.00 31.22 H new ATOM 0 HB3 ASN A 20 5.374 -1.265 -11.319 1.00 31.22 H new ATOM 0 HD21 ASN A 20 3.820 2.199 -13.053 1.00 5.24 H new ATOM 0 HD22 ASN A 20 3.746 1.916 -11.311 1.00 5.24 H new ATOM 289 N GLU A 21 2.235 -2.468 -10.751 1.00 71.43 N ATOM 290 CA GLU A 21 1.885 -3.878 -10.709 1.00 74.04 C ATOM 291 C GLU A 21 2.798 -4.680 -11.640 1.00 4.41 C ATOM 292 O GLU A 21 3.132 -5.827 -11.350 1.00 33.42 O ATOM 293 CB GLU A 21 0.414 -4.090 -11.068 1.00 5.54 C ATOM 294 CG GLU A 21 0.065 -5.579 -11.100 1.00 3.24 C ATOM 295 CD GLU A 21 -1.366 -5.797 -11.595 1.00 45.40 C ATOM 296 OE1 GLU A 21 -1.569 -6.190 -12.753 1.00 45.34 O ATOM 297 OE2 GLU A 21 -2.287 -5.542 -10.727 1.00 14.04 O ATOM 0 H GLU A 21 1.547 -1.871 -11.210 1.00 71.43 H new ATOM 0 HA GLU A 21 2.031 -4.237 -9.690 1.00 74.04 H new ATOM 0 HB2 GLU A 21 -0.218 -3.580 -10.341 1.00 5.54 H new ATOM 0 HB3 GLU A 21 0.205 -3.643 -12.040 1.00 5.54 H new ATOM 0 HG2 GLU A 21 0.763 -6.106 -11.751 1.00 3.24 H new ATOM 0 HG3 GLU A 21 0.177 -6.004 -10.102 1.00 3.24 H new ATOM 305 N GLN A 22 3.174 -4.043 -12.740 1.00 63.33 N ATOM 306 CA GLN A 22 4.040 -4.682 -13.715 1.00 23.52 C ATOM 307 C GLN A 22 5.357 -5.104 -13.060 1.00 64.33 C ATOM 308 O GLN A 22 5.860 -6.197 -13.317 1.00 5.21 O ATOM 309 CB GLN A 22 4.294 -3.761 -14.910 1.00 63.31 C ATOM 310 CG GLN A 22 4.046 -4.494 -16.230 1.00 20.22 C ATOM 311 CD GLN A 22 3.353 -3.580 -17.244 1.00 60.34 C ATOM 312 OE1 GLN A 22 2.363 -2.928 -16.955 1.00 54.12 O ATOM 313 NE2 GLN A 22 3.927 -3.571 -18.443 1.00 3.13 N ATOM 0 H GLN A 22 2.894 -3.091 -12.977 1.00 63.33 H new ATOM 0 HA GLN A 22 3.538 -5.576 -14.086 1.00 23.52 H new ATOM 0 HB2 GLN A 22 3.643 -2.889 -14.846 1.00 63.31 H new ATOM 0 HB3 GLN A 22 5.320 -3.395 -14.880 1.00 63.31 H new ATOM 0 HG2 GLN A 22 4.994 -4.844 -16.639 1.00 20.22 H new ATOM 0 HG3 GLN A 22 3.431 -5.376 -16.050 1.00 20.22 H new ATOM 0 HE21 GLN A 22 4.755 -4.141 -18.617 1.00 3.13 H new ATOM 0 HE22 GLN A 22 3.540 -2.994 -19.189 1.00 3.13 H new ATOM 322 N GLU A 23 5.876 -4.217 -12.225 1.00 15.23 N ATOM 323 CA GLU A 23 7.124 -4.484 -11.531 1.00 34.13 C ATOM 324 C GLU A 23 7.035 -5.808 -10.769 1.00 14.22 C ATOM 325 O GLU A 23 8.035 -6.508 -10.616 1.00 24.10 O ATOM 326 CB GLU A 23 7.486 -3.333 -10.589 1.00 1.45 C ATOM 327 CG GLU A 23 8.436 -2.345 -11.270 1.00 33.14 C ATOM 328 CD GLU A 23 8.836 -1.221 -10.313 1.00 14.51 C ATOM 329 OE1 GLU A 23 7.963 -0.565 -9.728 1.00 3.34 O ATOM 330 OE2 GLU A 23 10.107 -1.040 -10.186 1.00 54.24 O ATOM 0 H GLU A 23 5.455 -3.312 -12.013 1.00 15.23 H new ATOM 0 HA GLU A 23 7.918 -4.566 -12.273 1.00 34.13 H new ATOM 0 HB2 GLU A 23 6.579 -2.815 -10.277 1.00 1.45 H new ATOM 0 HB3 GLU A 23 7.953 -3.729 -9.687 1.00 1.45 H new ATOM 0 HG2 GLU A 23 9.328 -2.870 -11.613 1.00 33.14 H new ATOM 0 HG3 GLU A 23 7.956 -1.922 -12.152 1.00 33.14 H new ATOM 338 N LEU A 24 5.830 -6.110 -10.312 1.00 42.22 N ATOM 339 CA LEU A 24 5.597 -7.338 -9.570 1.00 41.23 C ATOM 340 C LEU A 24 5.595 -8.522 -10.538 1.00 4.44 C ATOM 341 O LEU A 24 6.085 -9.600 -10.208 1.00 40.41 O ATOM 342 CB LEU A 24 4.321 -7.224 -8.733 1.00 10.24 C ATOM 343 CG LEU A 24 3.846 -8.512 -8.057 1.00 64.12 C ATOM 344 CD1 LEU A 24 4.596 -8.751 -6.745 1.00 1.31 C ATOM 345 CD2 LEU A 24 2.329 -8.498 -7.855 1.00 32.43 C ATOM 0 H LEU A 24 5.004 -5.526 -10.441 1.00 42.22 H new ATOM 0 HA LEU A 24 6.403 -7.511 -8.857 1.00 41.23 H new ATOM 0 HB2 LEU A 24 4.482 -6.470 -7.962 1.00 10.24 H new ATOM 0 HB3 LEU A 24 3.520 -6.857 -9.375 1.00 10.24 H new ATOM 0 HG LEU A 24 4.076 -9.349 -8.717 1.00 64.12 H new ATOM 0 HD11 LEU A 24 4.240 -9.673 -6.285 1.00 1.31 H new ATOM 0 HD12 LEU A 24 5.664 -8.835 -6.947 1.00 1.31 H new ATOM 0 HD13 LEU A 24 4.420 -7.915 -6.068 1.00 1.31 H new ATOM 0 HD21 LEU A 24 2.018 -9.425 -7.373 1.00 32.43 H new ATOM 0 HD22 LEU A 24 2.053 -7.651 -7.226 1.00 32.43 H new ATOM 0 HD23 LEU A 24 1.834 -8.408 -8.822 1.00 32.43 H new ATOM 357 N LEU A 25 5.036 -8.280 -11.715 1.00 72.00 N ATOM 358 CA LEU A 25 4.962 -9.313 -12.734 1.00 34.52 C ATOM 359 C LEU A 25 6.371 -9.617 -13.249 1.00 75.24 C ATOM 360 O LEU A 25 6.642 -10.725 -13.709 1.00 3.05 O ATOM 361 CB LEU A 25 3.980 -8.911 -13.836 1.00 42.05 C ATOM 362 CG LEU A 25 3.862 -9.878 -15.016 1.00 51.41 C ATOM 363 CD1 LEU A 25 2.603 -10.738 -14.895 1.00 61.40 C ATOM 364 CD2 LEU A 25 3.918 -9.127 -16.347 1.00 21.42 C ATOM 0 H LEU A 25 4.630 -7.384 -11.985 1.00 72.00 H new ATOM 0 HA LEU A 25 4.569 -10.237 -12.310 1.00 34.52 H new ATOM 0 HB2 LEU A 25 2.993 -8.792 -13.390 1.00 42.05 H new ATOM 0 HB3 LEU A 25 4.276 -7.935 -14.220 1.00 42.05 H new ATOM 0 HG LEU A 25 4.717 -10.554 -14.992 1.00 51.41 H new ATOM 0 HD11 LEU A 25 2.543 -11.417 -15.746 1.00 61.40 H new ATOM 0 HD12 LEU A 25 2.645 -11.316 -13.972 1.00 61.40 H new ATOM 0 HD13 LEU A 25 1.723 -10.095 -14.881 1.00 61.40 H new ATOM 0 HD21 LEU A 25 3.832 -9.837 -17.169 1.00 21.42 H new ATOM 0 HD22 LEU A 25 3.096 -8.413 -16.397 1.00 21.42 H new ATOM 0 HD23 LEU A 25 4.866 -8.595 -16.425 1.00 21.42 H new ATOM 376 N GLU A 26 7.232 -8.614 -13.152 1.00 44.32 N ATOM 377 CA GLU A 26 8.606 -8.760 -13.602 1.00 45.14 C ATOM 378 C GLU A 26 9.286 -9.913 -12.861 1.00 11.14 C ATOM 379 O GLU A 26 9.948 -10.747 -13.478 1.00 14.33 O ATOM 380 CB GLU A 26 9.383 -7.456 -13.418 1.00 11.21 C ATOM 381 CG GLU A 26 10.848 -7.735 -13.078 1.00 54.52 C ATOM 382 CD GLU A 26 11.651 -6.434 -13.000 1.00 4.04 C ATOM 383 OE1 GLU A 26 11.144 -5.422 -12.494 1.00 40.14 O ATOM 384 OE2 GLU A 26 12.843 -6.498 -13.489 1.00 32.31 O ATOM 0 H GLU A 26 7.004 -7.697 -12.768 1.00 44.32 H new ATOM 0 HA GLU A 26 8.598 -8.993 -14.667 1.00 45.14 H new ATOM 0 HB2 GLU A 26 9.324 -6.862 -14.330 1.00 11.21 H new ATOM 0 HB3 GLU A 26 8.927 -6.866 -12.623 1.00 11.21 H new ATOM 0 HG2 GLU A 26 10.910 -8.262 -12.126 1.00 54.52 H new ATOM 0 HG3 GLU A 26 11.282 -8.390 -13.834 1.00 54.52 H new ATOM 392 N LEU A 27 9.100 -9.924 -11.549 1.00 32.50 N ATOM 393 CA LEU A 27 9.688 -10.962 -10.719 1.00 44.14 C ATOM 394 C LEU A 27 9.260 -12.334 -11.244 1.00 2.24 C ATOM 395 O LEU A 27 10.032 -13.289 -11.197 1.00 15.55 O ATOM 396 CB LEU A 27 9.340 -10.730 -9.247 1.00 30.52 C ATOM 397 CG LEU A 27 10.476 -10.956 -8.246 1.00 22.13 C ATOM 398 CD1 LEU A 27 10.784 -12.447 -8.095 1.00 41.00 C ATOM 399 CD2 LEU A 27 11.717 -10.150 -8.634 1.00 74.23 C ATOM 0 H LEU A 27 8.551 -9.231 -11.041 1.00 32.50 H new ATOM 0 HA LEU A 27 10.776 -10.925 -10.776 1.00 44.14 H new ATOM 0 HB2 LEU A 27 8.982 -9.706 -9.136 1.00 30.52 H new ATOM 0 HB3 LEU A 27 8.512 -11.388 -8.982 1.00 30.52 H new ATOM 0 HG LEU A 27 10.150 -10.594 -7.271 1.00 22.13 H new ATOM 0 HD11 LEU A 27 11.595 -12.580 -7.378 1.00 41.00 H new ATOM 0 HD12 LEU A 27 9.895 -12.968 -7.739 1.00 41.00 H new ATOM 0 HD13 LEU A 27 11.082 -12.857 -9.060 1.00 41.00 H new ATOM 0 HD21 LEU A 27 12.509 -10.329 -7.907 1.00 74.23 H new ATOM 0 HD22 LEU A 27 12.056 -10.458 -9.623 1.00 74.23 H new ATOM 0 HD23 LEU A 27 11.471 -9.088 -8.649 1.00 74.23 H new ATOM 411 N ASP A 28 8.029 -12.387 -11.732 1.00 44.33 N ATOM 412 CA ASP A 28 7.488 -13.625 -12.264 1.00 32.35 C ATOM 413 C ASP A 28 8.412 -14.148 -13.367 1.00 44.42 C ATOM 414 O ASP A 28 8.615 -15.354 -13.492 1.00 13.15 O ATOM 415 CB ASP A 28 6.102 -13.405 -12.874 1.00 14.43 C ATOM 416 CG ASP A 28 5.181 -14.626 -12.847 1.00 54.53 C ATOM 417 OD1 ASP A 28 4.214 -14.715 -13.618 1.00 13.33 O ATOM 418 OD2 ASP A 28 5.494 -15.525 -11.976 1.00 54.20 O ATOM 0 H ASP A 28 7.391 -11.592 -11.770 1.00 44.33 H new ATOM 0 HA ASP A 28 7.411 -14.339 -11.444 1.00 32.35 H new ATOM 0 HB2 ASP A 28 5.613 -12.589 -12.342 1.00 14.43 H new ATOM 0 HB3 ASP A 28 6.224 -13.084 -13.908 1.00 14.43 H new ATOM 424 N LYS A 29 8.948 -13.213 -14.138 1.00 4.04 N ATOM 425 CA LYS A 29 9.845 -13.563 -15.226 1.00 65.11 C ATOM 426 C LYS A 29 11.206 -13.958 -14.651 1.00 63.04 C ATOM 427 O LYS A 29 11.889 -14.822 -15.199 1.00 60.51 O ATOM 428 CB LYS A 29 9.916 -12.427 -16.249 1.00 60.11 C ATOM 429 CG LYS A 29 11.105 -12.614 -17.194 1.00 23.02 C ATOM 430 CD LYS A 29 10.889 -11.853 -18.503 1.00 24.54 C ATOM 431 CE LYS A 29 10.418 -12.795 -19.614 1.00 61.21 C ATOM 432 NZ LYS A 29 9.284 -12.197 -20.354 1.00 73.34 N ATOM 0 H LYS A 29 8.778 -12.213 -14.031 1.00 4.04 H new ATOM 0 HA LYS A 29 9.465 -14.427 -15.770 1.00 65.11 H new ATOM 0 HB2 LYS A 29 8.991 -12.393 -16.825 1.00 60.11 H new ATOM 0 HB3 LYS A 29 10.005 -11.472 -15.732 1.00 60.11 H new ATOM 0 HG2 LYS A 29 12.017 -12.263 -16.711 1.00 23.02 H new ATOM 0 HG3 LYS A 29 11.244 -13.674 -17.404 1.00 23.02 H new ATOM 0 HD2 LYS A 29 10.151 -11.065 -18.352 1.00 24.54 H new ATOM 0 HD3 LYS A 29 11.817 -11.367 -18.803 1.00 24.54 H new ATOM 0 HE2 LYS A 29 11.241 -12.998 -20.300 1.00 61.21 H new ATOM 0 HE3 LYS A 29 10.117 -13.751 -19.185 1.00 61.21 H new ATOM 0 HZ1 LYS A 29 8.977 -12.849 -21.104 1.00 73.34 H new ATOM 0 HZ2 LYS A 29 8.494 -12.025 -19.699 1.00 73.34 H new ATOM 0 HZ3 LYS A 29 9.583 -11.296 -20.779 1.00 73.34 H new ATOM 445 N TRP A 30 11.561 -13.307 -13.552 1.00 3.55 N ATOM 446 CA TRP A 30 12.828 -13.580 -12.897 1.00 1.54 C ATOM 447 C TRP A 30 12.705 -14.919 -12.168 1.00 55.31 C ATOM 448 O TRP A 30 13.711 -15.554 -11.855 1.00 63.43 O ATOM 449 CB TRP A 30 13.225 -12.429 -11.969 1.00 23.34 C ATOM 450 CG TRP A 30 14.678 -12.484 -11.496 1.00 74.20 C ATOM 451 CD1 TRP A 30 15.705 -11.718 -11.891 1.00 42.32 C ATOM 452 CD2 TRP A 30 15.230 -13.388 -10.516 1.00 43.34 C ATOM 453 NE1 TRP A 30 16.872 -12.061 -11.240 1.00 71.11 N ATOM 454 CE2 TRP A 30 16.573 -13.109 -10.377 1.00 13.31 C ATOM 455 CE3 TRP A 30 14.612 -14.408 -9.770 1.00 75.42 C ATOM 456 CZ2 TRP A 30 17.415 -13.805 -9.501 1.00 51.34 C ATOM 457 CZ3 TRP A 30 15.467 -15.095 -8.899 1.00 13.13 C ATOM 458 CH2 TRP A 30 16.822 -14.826 -8.748 1.00 1.55 C ATOM 0 H TRP A 30 10.992 -12.591 -13.099 1.00 3.55 H new ATOM 0 HA TRP A 30 13.632 -13.655 -13.629 1.00 1.54 H new ATOM 0 HB2 TRP A 30 13.058 -11.484 -12.487 1.00 23.34 H new ATOM 0 HB3 TRP A 30 12.570 -12.436 -11.098 1.00 23.34 H new ATOM 0 HD1 TRP A 30 15.628 -10.931 -12.627 1.00 42.32 H new ATOM 0 HE1 TRP A 30 17.786 -11.626 -11.368 1.00 71.11 H new ATOM 0 HE3 TRP A 30 13.562 -14.643 -9.862 1.00 75.42 H new ATOM 0 HZ2 TRP A 30 18.465 -13.567 -9.411 1.00 51.34 H new ATOM 0 HZ3 TRP A 30 15.043 -15.890 -8.303 1.00 13.13 H new ATOM 0 HH2 TRP A 30 17.415 -15.402 -8.053 1.00 1.55 H new ATOM 469 N ALA A 31 11.464 -15.310 -11.920 1.00 40.22 N ATOM 470 CA ALA A 31 11.196 -16.562 -11.234 1.00 64.12 C ATOM 471 C ALA A 31 11.916 -17.700 -11.960 1.00 31.52 C ATOM 472 O ALA A 31 12.356 -18.662 -11.333 1.00 61.33 O ATOM 473 CB ALA A 31 9.685 -16.787 -11.152 1.00 73.14 C ATOM 0 H ALA A 31 10.632 -14.781 -12.182 1.00 40.22 H new ATOM 0 HA ALA A 31 11.576 -16.529 -10.213 1.00 64.12 H new ATOM 0 HB1 ALA A 31 9.484 -17.727 -10.637 1.00 73.14 H new ATOM 0 HB2 ALA A 31 9.224 -15.966 -10.602 1.00 73.14 H new ATOM 0 HB3 ALA A 31 9.268 -16.829 -12.158 1.00 73.14 H new ATOM 479 N SER A 32 12.013 -17.554 -13.274 1.00 52.52 N ATOM 480 CA SER A 32 12.672 -18.557 -14.092 1.00 34.23 C ATOM 481 C SER A 32 14.066 -18.853 -13.536 1.00 71.14 C ATOM 482 O SER A 32 14.553 -19.978 -13.640 1.00 13.11 O ATOM 483 CB SER A 32 12.768 -18.103 -15.550 1.00 2.41 C ATOM 484 OG SER A 32 13.437 -19.060 -16.365 1.00 61.40 O ATOM 0 H SER A 32 11.646 -16.756 -13.792 1.00 52.52 H new ATOM 0 HA SER A 32 12.075 -19.468 -14.062 1.00 34.23 H new ATOM 0 HB2 SER A 32 11.766 -17.930 -15.942 1.00 2.41 H new ATOM 0 HB3 SER A 32 13.298 -17.152 -15.599 1.00 2.41 H new ATOM 0 HG SER A 32 13.476 -18.733 -17.288 1.00 61.40 H new ATOM 490 N LEU A 33 14.668 -17.826 -12.956 1.00 4.34 N ATOM 491 CA LEU A 33 15.997 -17.961 -12.384 1.00 63.32 C ATOM 492 C LEU A 33 16.011 -19.150 -11.419 1.00 11.44 C ATOM 493 O LEU A 33 16.887 -20.010 -11.503 1.00 25.21 O ATOM 494 CB LEU A 33 16.441 -16.645 -11.743 1.00 34.34 C ATOM 495 CG LEU A 33 17.914 -16.561 -11.336 1.00 24.41 C ATOM 496 CD1 LEU A 33 18.535 -17.957 -11.234 1.00 2.20 C ATOM 497 CD2 LEU A 33 18.696 -15.655 -12.289 1.00 45.45 C ATOM 0 H LEU A 33 14.260 -16.895 -12.870 1.00 4.34 H new ATOM 0 HA LEU A 33 16.729 -18.171 -13.164 1.00 63.32 H new ATOM 0 HB2 LEU A 33 16.231 -15.835 -12.441 1.00 34.34 H new ATOM 0 HB3 LEU A 33 15.829 -16.470 -10.858 1.00 34.34 H new ATOM 0 HG LEU A 33 17.969 -16.110 -10.345 1.00 24.41 H new ATOM 0 HD11 LEU A 33 19.582 -17.869 -10.943 1.00 2.20 H new ATOM 0 HD12 LEU A 33 17.998 -18.540 -10.486 1.00 2.20 H new ATOM 0 HD13 LEU A 33 18.467 -18.457 -12.200 1.00 2.20 H new ATOM 0 HD21 LEU A 33 19.740 -15.613 -11.977 1.00 45.45 H new ATOM 0 HD22 LEU A 33 18.636 -16.054 -13.302 1.00 45.45 H new ATOM 0 HD23 LEU A 33 18.270 -14.652 -12.268 1.00 45.45 H new ATOM 509 N TRP A 34 15.033 -19.159 -10.527 1.00 40.34 N ATOM 510 CA TRP A 34 14.922 -20.227 -9.547 1.00 11.11 C ATOM 511 C TRP A 34 15.034 -21.561 -10.289 1.00 11.40 C ATOM 512 O TRP A 34 15.878 -22.391 -9.955 1.00 74.23 O ATOM 513 CB TRP A 34 13.630 -20.099 -8.740 1.00 41.13 C ATOM 514 CG TRP A 34 13.766 -19.240 -7.480 1.00 61.41 C ATOM 515 CD1 TRP A 34 13.558 -17.922 -7.354 1.00 25.21 C ATOM 516 CD2 TRP A 34 14.150 -19.696 -6.166 1.00 61.33 C ATOM 517 NE1 TRP A 34 13.780 -17.497 -6.059 1.00 20.44 N ATOM 518 CE2 TRP A 34 14.151 -18.610 -5.315 1.00 42.41 C ATOM 519 CE3 TRP A 34 14.485 -20.983 -5.711 1.00 33.44 C ATOM 520 CZ2 TRP A 34 14.479 -18.701 -3.956 1.00 34.22 C ATOM 521 CZ3 TRP A 34 14.812 -21.058 -4.352 1.00 42.21 C ATOM 522 CH2 TRP A 34 14.818 -19.974 -3.482 1.00 44.22 C ATOM 0 H TRP A 34 14.309 -18.443 -10.461 1.00 40.34 H new ATOM 0 HA TRP A 34 15.728 -20.165 -8.816 1.00 11.11 H new ATOM 0 HB2 TRP A 34 12.856 -19.671 -9.377 1.00 41.13 H new ATOM 0 HB3 TRP A 34 13.292 -21.095 -8.454 1.00 41.13 H new ATOM 0 HD1 TRP A 34 13.255 -17.274 -8.163 1.00 25.21 H new ATOM 0 HE1 TRP A 34 13.688 -16.542 -5.713 1.00 20.44 H new ATOM 0 HE3 TRP A 34 14.490 -21.847 -6.359 1.00 33.44 H new ATOM 0 HZ2 TRP A 34 14.471 -17.836 -3.309 1.00 34.22 H new ATOM 0 HZ3 TRP A 34 15.078 -22.025 -3.952 1.00 42.21 H new ATOM 0 HH2 TRP A 34 15.083 -20.113 -2.444 1.00 44.22 H new ATOM 533 N ASN A 35 14.171 -21.724 -11.280 1.00 71.11 N ATOM 534 CA ASN A 35 14.162 -22.943 -12.071 1.00 33.43 C ATOM 535 C ASN A 35 13.716 -24.113 -11.192 1.00 25.41 C ATOM 536 O ASN A 35 12.610 -24.627 -11.353 1.00 65.25 O ATOM 537 CB ASN A 35 15.560 -23.261 -12.608 1.00 65.33 C ATOM 538 CG ASN A 35 15.483 -24.198 -13.816 1.00 51.43 C ATOM 539 OD1 ASN A 35 14.688 -25.121 -13.868 1.00 25.12 O ATOM 540 ND2 ASN A 35 16.351 -23.908 -14.781 1.00 42.34 N ATOM 0 H ASN A 35 13.473 -21.033 -11.554 1.00 71.11 H new ATOM 0 HA ASN A 35 13.478 -22.797 -12.907 1.00 33.43 H new ATOM 0 HB2 ASN A 35 16.064 -22.337 -12.892 1.00 65.33 H new ATOM 0 HB3 ASN A 35 16.159 -23.722 -11.823 1.00 65.33 H new ATOM 0 HD21 ASN A 35 16.378 -24.474 -15.629 1.00 42.34 H new ATOM 0 HD22 ASN A 35 16.989 -23.120 -14.673 1.00 42.34 H new TER 547 ASN A 35