USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=3 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 NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.106 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.185 X(o=-0.18,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.5) 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= -0.0137 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.220 4.724 -6.412 1.00 11.00 N ATOM 2 CA GLY A 1 -25.073 3.682 -5.868 1.00 43.05 C ATOM 3 C GLY A 1 -24.633 3.296 -4.454 1.00 61.14 C ATOM 4 O GLY A 1 -23.670 3.850 -3.927 1.00 72.32 O ATOM 0 H1 GLY A 1 -24.715 5.637 -6.366 1.00 11.00 H new ATOM 0 H2 GLY A 1 -23.342 4.778 -5.858 1.00 11.00 H new ATOM 0 H3 GLY A 1 -23.991 4.504 -7.402 1.00 11.00 H new ATOM 0 HA2 GLY A 1 -26.107 4.026 -5.850 1.00 43.05 H new ATOM 0 HA3 GLY A 1 -25.040 2.805 -6.515 1.00 43.05 H new ATOM 8 N ILE A 2 -25.359 2.347 -3.881 1.00 11.25 N ATOM 9 CA ILE A 2 -25.055 1.881 -2.540 1.00 44.44 C ATOM 10 C ILE A 2 -23.953 0.822 -2.609 1.00 73.41 C ATOM 11 O ILE A 2 -23.072 0.780 -1.751 1.00 63.41 O ATOM 12 CB ILE A 2 -26.328 1.399 -1.839 1.00 71.23 C ATOM 13 CG1 ILE A 2 -26.751 0.022 -2.357 1.00 55.31 C ATOM 14 CG2 ILE A 2 -27.450 2.430 -1.970 1.00 62.21 C ATOM 15 CD1 ILE A 2 -27.847 -0.581 -1.478 1.00 45.14 C ATOM 0 H ILE A 2 -26.157 1.889 -4.321 1.00 11.25 H new ATOM 0 HA ILE A 2 -24.673 2.700 -1.930 1.00 44.44 H new ATOM 0 HB ILE A 2 -26.113 1.291 -0.776 1.00 71.23 H new ATOM 0 HG12 ILE A 2 -27.110 0.110 -3.383 1.00 55.31 H new ATOM 0 HG13 ILE A 2 -25.888 -0.644 -2.377 1.00 55.31 H new ATOM 0 HG21 ILE A 2 -28.343 2.063 -1.463 1.00 62.21 H new ATOM 0 HG22 ILE A 2 -27.136 3.370 -1.516 1.00 62.21 H new ATOM 0 HG23 ILE A 2 -27.673 2.593 -3.024 1.00 62.21 H new ATOM 0 HD11 ILE A 2 -28.129 -1.559 -1.868 1.00 45.14 H new ATOM 0 HD12 ILE A 2 -27.477 -0.690 -0.459 1.00 45.14 H new ATOM 0 HD13 ILE A 2 -28.717 0.075 -1.480 1.00 45.14 H new ATOM 27 N GLY A 3 -24.039 -0.008 -3.638 1.00 34.33 N ATOM 28 CA GLY A 3 -23.059 -1.064 -3.832 1.00 44.43 C ATOM 29 C GLY A 3 -21.695 -0.483 -4.212 1.00 53.44 C ATOM 30 O GLY A 3 -20.689 -1.192 -4.196 1.00 0.10 O ATOM 0 H GLY A 3 -24.772 0.029 -4.346 1.00 34.33 H new ATOM 0 HA2 GLY A 3 -22.966 -1.651 -2.919 1.00 44.43 H new ATOM 0 HA3 GLY A 3 -23.400 -1.742 -4.614 1.00 44.43 H new ATOM 34 N ALA A 4 -21.705 0.799 -4.544 1.00 74.21 N ATOM 35 CA ALA A 4 -20.481 1.482 -4.927 1.00 60.52 C ATOM 36 C ALA A 4 -19.686 1.838 -3.669 1.00 73.42 C ATOM 37 O ALA A 4 -18.465 1.984 -3.723 1.00 72.13 O ATOM 38 CB ALA A 4 -20.826 2.713 -5.768 1.00 13.54 C ATOM 0 H ALA A 4 -22.541 1.383 -4.556 1.00 74.21 H new ATOM 0 HA ALA A 4 -19.854 0.834 -5.540 1.00 60.52 H new ATOM 0 HB1 ALA A 4 -19.908 3.226 -6.056 1.00 13.54 H new ATOM 0 HB2 ALA A 4 -21.364 2.403 -6.664 1.00 13.54 H new ATOM 0 HB3 ALA A 4 -21.452 3.389 -5.185 1.00 13.54 H new ATOM 44 N LEU A 5 -20.409 1.968 -2.568 1.00 5.53 N ATOM 45 CA LEU A 5 -19.786 2.304 -1.299 1.00 51.21 C ATOM 46 C LEU A 5 -18.928 1.128 -0.829 1.00 62.03 C ATOM 47 O LEU A 5 -17.874 1.325 -0.227 1.00 40.10 O ATOM 48 CB LEU A 5 -20.843 2.739 -0.281 1.00 21.22 C ATOM 49 CG LEU A 5 -20.758 4.190 0.196 1.00 34.15 C ATOM 50 CD1 LEU A 5 -22.000 4.577 1.000 1.00 25.11 C ATOM 51 CD2 LEU A 5 -19.467 4.434 0.982 1.00 23.03 C ATOM 0 H LEU A 5 -21.421 1.847 -2.528 1.00 5.53 H new ATOM 0 HA LEU A 5 -19.119 3.158 -1.417 1.00 51.21 H new ATOM 0 HB2 LEU A 5 -21.828 2.579 -0.719 1.00 21.22 H new ATOM 0 HB3 LEU A 5 -20.771 2.087 0.589 1.00 21.22 H new ATOM 0 HG LEU A 5 -20.728 4.836 -0.681 1.00 34.15 H new ATOM 0 HD11 LEU A 5 -21.914 5.613 1.327 1.00 25.11 H new ATOM 0 HD12 LEU A 5 -22.887 4.466 0.376 1.00 25.11 H new ATOM 0 HD13 LEU A 5 -22.086 3.928 1.871 1.00 25.11 H new ATOM 0 HD21 LEU A 5 -19.431 5.473 1.310 1.00 23.03 H new ATOM 0 HD22 LEU A 5 -19.441 3.778 1.852 1.00 23.03 H new ATOM 0 HD23 LEU A 5 -18.608 4.225 0.345 1.00 23.03 H new ATOM 63 N PHE A 6 -19.412 -0.070 -1.123 1.00 61.21 N ATOM 64 CA PHE A 6 -18.702 -1.279 -0.739 1.00 3.44 C ATOM 65 C PHE A 6 -17.347 -1.367 -1.444 1.00 24.03 C ATOM 66 O PHE A 6 -16.327 -1.621 -0.807 1.00 71.14 O ATOM 67 CB PHE A 6 -19.568 -2.463 -1.172 1.00 70.51 C ATOM 68 CG PHE A 6 -19.330 -3.738 -0.360 1.00 60.41 C ATOM 69 CD1 PHE A 6 -20.372 -4.350 0.265 1.00 23.32 C ATOM 70 CD2 PHE A 6 -18.078 -4.259 -0.263 1.00 52.12 C ATOM 71 CE1 PHE A 6 -20.151 -5.533 1.018 1.00 5.23 C ATOM 72 CE2 PHE A 6 -17.857 -5.442 0.491 1.00 60.41 C ATOM 73 CZ PHE A 6 -18.899 -6.054 1.116 1.00 23.32 C ATOM 0 H PHE A 6 -20.287 -0.230 -1.622 1.00 61.21 H new ATOM 0 HA PHE A 6 -18.522 -1.279 0.336 1.00 3.44 H new ATOM 0 HB2 PHE A 6 -20.618 -2.182 -1.088 1.00 70.51 H new ATOM 0 HB3 PHE A 6 -19.377 -2.674 -2.224 1.00 70.51 H new ATOM 0 HD1 PHE A 6 -21.367 -3.936 0.188 1.00 23.32 H new ATOM 0 HD2 PHE A 6 -17.251 -3.773 -0.760 1.00 52.12 H new ATOM 0 HE1 PHE A 6 -20.978 -6.020 1.513 1.00 5.23 H new ATOM 0 HE2 PHE A 6 -16.862 -5.856 0.568 1.00 60.41 H new ATOM 0 HZ PHE A 6 -18.732 -6.953 1.690 1.00 23.32 H new ATOM 83 N LEU A 7 -17.382 -1.153 -2.751 1.00 23.40 N ATOM 84 CA LEU A 7 -16.170 -1.205 -3.551 1.00 50.01 C ATOM 85 C LEU A 7 -15.191 -0.138 -3.055 1.00 71.21 C ATOM 86 O LEU A 7 -13.977 -0.317 -3.140 1.00 65.20 O ATOM 87 CB LEU A 7 -16.504 -1.090 -5.040 1.00 45.30 C ATOM 88 CG LEU A 7 -15.728 -2.018 -5.975 1.00 3.22 C ATOM 89 CD1 LEU A 7 -16.666 -2.700 -6.973 1.00 54.14 C ATOM 90 CD2 LEU A 7 -14.593 -1.267 -6.676 1.00 64.04 C ATOM 0 H LEU A 7 -18.231 -0.943 -3.276 1.00 23.40 H new ATOM 0 HA LEU A 7 -15.677 -2.170 -3.433 1.00 50.01 H new ATOM 0 HB2 LEU A 7 -17.569 -1.284 -5.169 1.00 45.30 H new ATOM 0 HB3 LEU A 7 -16.327 -0.061 -5.353 1.00 45.30 H new ATOM 0 HG LEU A 7 -15.271 -2.804 -5.374 1.00 3.22 H new ATOM 0 HD11 LEU A 7 -16.089 -3.354 -7.626 1.00 54.14 H new ATOM 0 HD12 LEU A 7 -17.407 -3.289 -6.432 1.00 54.14 H new ATOM 0 HD13 LEU A 7 -17.172 -1.943 -7.573 1.00 54.14 H new ATOM 0 HD21 LEU A 7 -14.057 -1.950 -7.335 1.00 64.04 H new ATOM 0 HD22 LEU A 7 -15.007 -0.447 -7.263 1.00 64.04 H new ATOM 0 HD23 LEU A 7 -13.905 -0.868 -5.930 1.00 64.04 H new ATOM 102 N GLY A 8 -15.757 0.949 -2.550 1.00 54.33 N ATOM 103 CA GLY A 8 -14.949 2.044 -2.041 1.00 60.33 C ATOM 104 C GLY A 8 -14.117 1.599 -0.836 1.00 33.34 C ATOM 105 O GLY A 8 -13.017 2.103 -0.617 1.00 15.32 O ATOM 0 H GLY A 8 -16.764 1.094 -2.483 1.00 54.33 H new ATOM 0 HA2 GLY A 8 -14.289 2.410 -2.828 1.00 60.33 H new ATOM 0 HA3 GLY A 8 -15.595 2.874 -1.755 1.00 60.33 H new ATOM 109 N PHE A 9 -14.675 0.659 -0.087 1.00 62.00 N ATOM 110 CA PHE A 9 -13.999 0.141 1.091 1.00 34.44 C ATOM 111 C PHE A 9 -12.787 -0.706 0.698 1.00 35.55 C ATOM 112 O PHE A 9 -11.679 -0.474 1.181 1.00 4.11 O ATOM 113 CB PHE A 9 -15.005 -0.743 1.831 1.00 51.12 C ATOM 114 CG PHE A 9 -14.587 -1.098 3.259 1.00 3.54 C ATOM 115 CD1 PHE A 9 -14.098 -0.134 4.084 1.00 22.13 C ATOM 116 CD2 PHE A 9 -14.705 -2.378 3.704 1.00 14.31 C ATOM 117 CE1 PHE A 9 -13.711 -0.463 5.410 1.00 14.22 C ATOM 118 CE2 PHE A 9 -14.316 -2.707 5.030 1.00 30.40 C ATOM 119 CZ PHE A 9 -13.828 -1.743 5.855 1.00 51.01 C ATOM 0 H PHE A 9 -15.587 0.243 -0.273 1.00 62.00 H new ATOM 0 HA PHE A 9 -13.648 0.965 1.712 1.00 34.44 H new ATOM 0 HB2 PHE A 9 -15.968 -0.233 1.861 1.00 51.12 H new ATOM 0 HB3 PHE A 9 -15.149 -1.664 1.266 1.00 51.12 H new ATOM 0 HD1 PHE A 9 -14.004 0.882 3.731 1.00 22.13 H new ATOM 0 HD2 PHE A 9 -15.094 -3.144 3.049 1.00 14.31 H new ATOM 0 HE1 PHE A 9 -13.324 0.303 6.065 1.00 14.22 H new ATOM 0 HE2 PHE A 9 -14.408 -3.724 5.383 1.00 30.40 H new ATOM 0 HZ PHE A 9 -13.533 -1.993 6.863 1.00 51.01 H new ATOM 129 N LEU A 10 -13.036 -1.670 -0.177 1.00 63.25 N ATOM 130 CA LEU A 10 -11.979 -2.553 -0.641 1.00 4.53 C ATOM 131 C LEU A 10 -10.956 -1.741 -1.437 1.00 12.45 C ATOM 132 O LEU A 10 -9.769 -2.064 -1.441 1.00 20.01 O ATOM 133 CB LEU A 10 -12.567 -3.732 -1.417 1.00 31.23 C ATOM 134 CG LEU A 10 -13.730 -4.464 -0.744 1.00 73.43 C ATOM 135 CD1 LEU A 10 -13.885 -5.879 -1.306 1.00 75.42 C ATOM 136 CD2 LEU A 10 -13.571 -4.466 0.777 1.00 55.20 C ATOM 0 H LEU A 10 -13.955 -1.859 -0.577 1.00 63.25 H new ATOM 0 HA LEU A 10 -11.450 -2.992 0.205 1.00 4.53 H new ATOM 0 HB2 LEU A 10 -12.905 -3.370 -2.388 1.00 31.23 H new ATOM 0 HB3 LEU A 10 -11.770 -4.452 -1.604 1.00 31.23 H new ATOM 0 HG LEU A 10 -14.650 -3.924 -0.970 1.00 73.43 H new ATOM 0 HD11 LEU A 10 -14.718 -6.378 -0.811 1.00 75.42 H new ATOM 0 HD12 LEU A 10 -14.079 -5.826 -2.377 1.00 75.42 H new ATOM 0 HD13 LEU A 10 -12.969 -6.443 -1.130 1.00 75.42 H new ATOM 0 HD21 LEU A 10 -14.411 -4.993 1.230 1.00 55.20 H new ATOM 0 HD22 LEU A 10 -12.641 -4.968 1.045 1.00 55.20 H new ATOM 0 HD23 LEU A 10 -13.547 -3.439 1.142 1.00 55.20 H new ATOM 148 N GLY A 11 -11.452 -0.701 -2.090 1.00 32.25 N ATOM 149 CA GLY A 11 -10.596 0.160 -2.889 1.00 12.11 C ATOM 150 C GLY A 11 -9.748 1.069 -1.998 1.00 43.42 C ATOM 151 O GLY A 11 -8.565 1.277 -2.262 1.00 71.12 O ATOM 0 H GLY A 11 -12.437 -0.435 -2.082 1.00 32.25 H new ATOM 0 HA2 GLY A 11 -9.946 -0.449 -3.517 1.00 12.11 H new ATOM 0 HA3 GLY A 11 -11.207 0.767 -3.557 1.00 12.11 H new ATOM 155 N ALA A 12 -10.388 1.588 -0.959 1.00 55.54 N ATOM 156 CA ALA A 12 -9.707 2.470 -0.026 1.00 12.00 C ATOM 157 C ALA A 12 -8.629 1.682 0.721 1.00 40.24 C ATOM 158 O ALA A 12 -7.491 2.134 0.833 1.00 14.41 O ATOM 159 CB ALA A 12 -10.730 3.100 0.922 1.00 61.55 C ATOM 0 H ALA A 12 -11.370 1.415 -0.743 1.00 55.54 H new ATOM 0 HA ALA A 12 -9.212 3.282 -0.559 1.00 12.00 H new ATOM 0 HB1 ALA A 12 -10.219 3.761 1.622 1.00 61.55 H new ATOM 0 HB2 ALA A 12 -11.456 3.673 0.345 1.00 61.55 H new ATOM 0 HB3 ALA A 12 -11.245 2.315 1.475 1.00 61.55 H new ATOM 165 N ALA A 13 -9.026 0.518 1.214 1.00 75.24 N ATOM 166 CA ALA A 13 -8.108 -0.338 1.946 1.00 1.44 C ATOM 167 C ALA A 13 -6.869 -0.602 1.089 1.00 64.23 C ATOM 168 O ALA A 13 -5.800 -0.910 1.615 1.00 73.42 O ATOM 169 CB ALA A 13 -8.824 -1.628 2.351 1.00 4.13 C ATOM 0 H ALA A 13 -9.972 0.147 1.121 1.00 75.24 H new ATOM 0 HA ALA A 13 -7.776 0.151 2.862 1.00 1.44 H new ATOM 0 HB1 ALA A 13 -8.135 -2.270 2.900 1.00 4.13 H new ATOM 0 HB2 ALA A 13 -9.678 -1.387 2.984 1.00 4.13 H new ATOM 0 HB3 ALA A 13 -9.170 -2.148 1.458 1.00 4.13 H new ATOM 175 N GLY A 14 -7.054 -0.473 -0.217 1.00 23.31 N ATOM 176 CA GLY A 14 -5.964 -0.695 -1.152 1.00 61.52 C ATOM 177 C GLY A 14 -4.926 0.424 -1.060 1.00 14.13 C ATOM 178 O GLY A 14 -3.749 0.166 -0.812 1.00 45.52 O ATOM 0 H GLY A 14 -7.942 -0.218 -0.649 1.00 23.31 H new ATOM 0 HA2 GLY A 14 -5.490 -1.654 -0.942 1.00 61.52 H new ATOM 0 HA3 GLY A 14 -6.357 -0.749 -2.167 1.00 61.52 H new ATOM 182 N SER A 15 -5.399 1.646 -1.265 1.00 52.44 N ATOM 183 CA SER A 15 -4.525 2.805 -1.207 1.00 11.11 C ATOM 184 C SER A 15 -3.928 2.942 0.195 1.00 73.13 C ATOM 185 O SER A 15 -2.946 3.657 0.388 1.00 25.43 O ATOM 186 CB SER A 15 -5.278 4.081 -1.589 1.00 23.42 C ATOM 187 OG SER A 15 -5.872 3.984 -2.881 1.00 14.13 O ATOM 0 H SER A 15 -6.375 1.857 -1.471 1.00 52.44 H new ATOM 0 HA SER A 15 -3.718 2.661 -1.926 1.00 11.11 H new ATOM 0 HB2 SER A 15 -6.052 4.281 -0.848 1.00 23.42 H new ATOM 0 HB3 SER A 15 -4.591 4.927 -1.568 1.00 23.42 H new ATOM 0 HG SER A 15 -6.345 4.817 -3.087 1.00 14.13 H new ATOM 193 N LYS A 16 -4.545 2.243 1.137 1.00 23.23 N ATOM 194 CA LYS A 16 -4.086 2.278 2.515 1.00 2.24 C ATOM 195 C LYS A 16 -2.952 1.268 2.696 1.00 63.33 C ATOM 196 O LYS A 16 -1.794 1.650 2.855 1.00 35.22 O ATOM 197 CB LYS A 16 -5.258 2.066 3.475 1.00 60.25 C ATOM 198 CG LYS A 16 -4.814 2.236 4.929 1.00 41.22 C ATOM 199 CD LYS A 16 -4.687 3.717 5.293 1.00 51.44 C ATOM 200 CE LYS A 16 -5.472 4.038 6.566 1.00 33.13 C ATOM 201 NZ LYS A 16 -4.719 3.604 7.763 1.00 4.51 N ATOM 0 H LYS A 16 -5.358 1.650 0.973 1.00 23.23 H new ATOM 0 HA LYS A 16 -3.680 3.260 2.757 1.00 2.24 H new ATOM 0 HB2 LYS A 16 -6.052 2.778 3.248 1.00 60.25 H new ATOM 0 HB3 LYS A 16 -5.674 1.069 3.332 1.00 60.25 H new ATOM 0 HG2 LYS A 16 -5.534 1.755 5.592 1.00 41.22 H new ATOM 0 HG3 LYS A 16 -3.857 1.737 5.082 1.00 41.22 H new ATOM 0 HD2 LYS A 16 -3.637 3.971 5.435 1.00 51.44 H new ATOM 0 HD3 LYS A 16 -5.055 4.330 4.470 1.00 51.44 H new ATOM 0 HE2 LYS A 16 -5.666 5.109 6.620 1.00 33.13 H new ATOM 0 HE3 LYS A 16 -6.441 3.539 6.538 1.00 33.13 H new ATOM 0 HZ1 LYS A 16 -5.266 3.830 8.618 1.00 4.51 H new ATOM 0 HZ2 LYS A 16 -4.555 2.578 7.717 1.00 4.51 H new ATOM 0 HZ3 LYS A 16 -3.805 4.099 7.797 1.00 4.51 H new ATOM 214 N LYS A 17 -3.325 -0.004 2.666 1.00 31.11 N ATOM 215 CA LYS A 17 -2.353 -1.072 2.825 1.00 74.30 C ATOM 216 C LYS A 17 -1.791 -1.453 1.453 1.00 31.13 C ATOM 217 O LYS A 17 -1.764 -2.629 1.094 1.00 53.23 O ATOM 218 CB LYS A 17 -2.969 -2.248 3.584 1.00 74.34 C ATOM 219 CG LYS A 17 -1.943 -2.898 4.515 1.00 41.42 C ATOM 220 CD LYS A 17 -1.919 -2.200 5.876 1.00 1.40 C ATOM 221 CE LYS A 17 -0.632 -1.391 6.055 1.00 60.44 C ATOM 222 NZ LYS A 17 -0.277 -1.292 7.488 1.00 45.25 N ATOM 0 H LYS A 17 -4.286 -0.318 2.534 1.00 31.11 H new ATOM 0 HA LYS A 17 -1.513 -0.735 3.432 1.00 74.30 H new ATOM 0 HB2 LYS A 17 -3.825 -1.903 4.164 1.00 74.34 H new ATOM 0 HB3 LYS A 17 -3.342 -2.987 2.875 1.00 74.34 H new ATOM 0 HG2 LYS A 17 -2.184 -3.953 4.647 1.00 41.42 H new ATOM 0 HG3 LYS A 17 -0.953 -2.851 4.061 1.00 41.42 H new ATOM 0 HD2 LYS A 17 -2.783 -1.541 5.966 1.00 1.40 H new ATOM 0 HD3 LYS A 17 -2.000 -2.942 6.671 1.00 1.40 H new ATOM 0 HE2 LYS A 17 0.181 -1.864 5.505 1.00 60.44 H new ATOM 0 HE3 LYS A 17 -0.762 -0.393 5.637 1.00 60.44 H new ATOM 0 HZ1 LYS A 17 0.598 -0.740 7.591 1.00 45.25 H new ATOM 0 HZ2 LYS A 17 -1.047 -0.820 8.005 1.00 45.25 H new ATOM 0 HZ3 LYS A 17 -0.133 -2.246 7.877 1.00 45.25 H new HETATM 235 C1 ACA A 18 4.545 -2.088 -2.415 1.00 20.24 C HETATM 236 O1 ACA A 18 5.577 -1.452 -2.623 1.00 3.50 O HETATM 237 C2 ACA A 18 3.872 -1.247 -1.400 1.00 53.31 C HETATM 238 C3 ACA A 18 2.770 -0.404 -2.047 1.00 52.43 C HETATM 239 C4 ACA A 18 1.392 -1.020 -1.796 1.00 41.54 C HETATM 240 C5 ACA A 18 0.704 -0.355 -0.601 1.00 21.01 C HETATM 241 C6 ACA A 18 -0.797 -0.649 -0.601 1.00 4.15 C HETATM 242 N6 ACA A 18 -1.357 -0.436 0.724 1.00 14.24 N HETATM 0 H62 ACA A 18 -1.300 -0.005 -1.323 1.00 4.15 H new HETATM 0 H61 ACA A 18 -0.972 -1.678 -0.915 1.00 4.15 H new HETATM 0 H52 ACA A 18 1.149 -0.715 0.326 1.00 21.01 H new HETATM 0 H51 ACA A 18 0.867 0.722 -0.636 1.00 21.01 H new HETATM 0 H42 ACA A 18 0.772 -0.908 -2.686 1.00 41.54 H new HETATM 0 H41 ACA A 18 1.496 -2.089 -1.612 1.00 41.54 H new HETATM 0 H32 ACA A 18 2.798 0.609 -1.645 1.00 52.43 H new HETATM 0 H31 ACA A 18 2.948 -0.327 -3.120 1.00 52.43 H new HETATM 0 H22 ACA A 18 3.445 -1.879 -0.621 1.00 53.31 H new HETATM 0 H21 ACA A 18 4.601 -0.595 -0.918 1.00 53.31 H new ATOM 254 N LYS A 19 4.507 -3.373 -2.100 1.00 64.24 N ATOM 255 CA LYS A 19 5.728 -4.150 -1.972 1.00 12.02 C ATOM 256 C LYS A 19 5.821 -5.141 -3.134 1.00 42.11 C ATOM 257 O LYS A 19 6.325 -4.803 -4.204 1.00 15.54 O ATOM 258 CB LYS A 19 5.802 -4.810 -0.593 1.00 34.22 C ATOM 259 CG LYS A 19 6.997 -5.761 -0.505 1.00 74.25 C ATOM 260 CD LYS A 19 6.578 -7.115 0.075 1.00 5.35 C ATOM 261 CE LYS A 19 7.787 -8.034 0.249 1.00 50.41 C ATOM 262 NZ LYS A 19 7.704 -8.762 1.535 1.00 12.11 N ATOM 0 HA LYS A 19 6.601 -3.500 -2.036 1.00 12.02 H new ATOM 0 HB2 LYS A 19 5.885 -4.043 0.177 1.00 34.22 H new ATOM 0 HB3 LYS A 19 4.881 -5.359 -0.398 1.00 34.22 H new ATOM 0 HG2 LYS A 19 7.427 -5.903 -1.496 1.00 74.25 H new ATOM 0 HG3 LYS A 19 7.774 -5.318 0.119 1.00 74.25 H new ATOM 0 HD2 LYS A 19 6.088 -6.967 1.037 1.00 5.35 H new ATOM 0 HD3 LYS A 19 5.850 -7.587 -0.584 1.00 5.35 H new ATOM 0 HE2 LYS A 19 7.832 -8.745 -0.576 1.00 50.41 H new ATOM 0 HE3 LYS A 19 8.705 -7.447 0.215 1.00 50.41 H new ATOM 0 HZ1 LYS A 19 8.533 -9.382 1.637 1.00 12.11 H new ATOM 0 HZ2 LYS A 19 7.683 -8.080 2.320 1.00 12.11 H new ATOM 0 HZ3 LYS A 19 6.838 -9.337 1.553 1.00 12.11 H new ATOM 275 N ASN A 20 5.326 -6.344 -2.885 1.00 54.55 N ATOM 276 CA ASN A 20 5.347 -7.387 -3.897 1.00 1.44 C ATOM 277 C ASN A 20 4.219 -7.139 -4.901 1.00 51.33 C ATOM 278 O ASN A 20 4.464 -7.027 -6.100 1.00 53.14 O ATOM 279 CB ASN A 20 5.131 -8.766 -3.271 1.00 25.02 C ATOM 280 CG ASN A 20 6.092 -9.795 -3.868 1.00 52.01 C ATOM 281 OD1 ASN A 20 6.813 -10.489 -3.169 1.00 4.32 O ATOM 282 ND2 ASN A 20 6.063 -9.857 -5.196 1.00 31.32 N ATOM 0 H ASN A 20 4.908 -6.620 -1.997 1.00 54.55 H new ATOM 0 HA ASN A 20 6.320 -7.363 -4.387 1.00 1.44 H new ATOM 0 HB2 ASN A 20 5.279 -8.707 -2.193 1.00 25.02 H new ATOM 0 HB3 ASN A 20 4.102 -9.086 -3.434 1.00 25.02 H new ATOM 0 HD21 ASN A 20 6.668 -10.514 -5.689 1.00 31.32 H new ATOM 0 HD22 ASN A 20 5.436 -9.248 -5.721 1.00 31.32 H new ATOM 289 N GLU A 21 3.006 -7.062 -4.372 1.00 31.02 N ATOM 290 CA GLU A 21 1.840 -6.830 -5.206 1.00 71.33 C ATOM 291 C GLU A 21 2.026 -5.559 -6.037 1.00 62.41 C ATOM 292 O GLU A 21 1.458 -5.435 -7.121 1.00 24.24 O ATOM 293 CB GLU A 21 0.568 -6.752 -4.360 1.00 2.21 C ATOM 294 CG GLU A 21 -0.649 -6.427 -5.229 1.00 42.25 C ATOM 295 CD GLU A 21 -1.890 -7.176 -4.736 1.00 25.35 C ATOM 296 OE1 GLU A 21 -2.746 -7.558 -5.547 1.00 71.30 O ATOM 297 OE2 GLU A 21 -1.946 -7.356 -3.460 1.00 44.53 O ATOM 0 H GLU A 21 2.806 -7.156 -3.376 1.00 31.02 H new ATOM 0 HA GLU A 21 1.731 -7.673 -5.888 1.00 71.33 H new ATOM 0 HB2 GLU A 21 0.410 -7.700 -3.846 1.00 2.21 H new ATOM 0 HB3 GLU A 21 0.685 -5.988 -3.591 1.00 2.21 H new ATOM 0 HG2 GLU A 21 -0.837 -5.353 -5.211 1.00 42.25 H new ATOM 0 HG3 GLU A 21 -0.444 -6.698 -6.265 1.00 42.25 H new ATOM 305 N GLN A 22 2.822 -4.649 -5.498 1.00 23.20 N ATOM 306 CA GLN A 22 3.089 -3.392 -6.176 1.00 52.43 C ATOM 307 C GLN A 22 3.949 -3.632 -7.418 1.00 32.32 C ATOM 308 O GLN A 22 3.670 -3.089 -8.486 1.00 24.33 O ATOM 309 CB GLN A 22 3.759 -2.391 -5.232 1.00 63.14 C ATOM 310 CG GLN A 22 4.111 -1.095 -5.966 1.00 63.33 C ATOM 311 CD GLN A 22 5.505 -1.180 -6.589 1.00 41.23 C ATOM 312 OE1 GLN A 22 5.686 -1.055 -7.789 1.00 23.25 O ATOM 313 NE2 GLN A 22 6.478 -1.399 -5.709 1.00 24.35 N ATOM 0 H GLN A 22 3.291 -4.757 -4.599 1.00 23.20 H new ATOM 0 HA GLN A 22 2.138 -2.963 -6.492 1.00 52.43 H new ATOM 0 HB2 GLN A 22 3.093 -2.171 -4.398 1.00 63.14 H new ATOM 0 HB3 GLN A 22 4.663 -2.832 -4.811 1.00 63.14 H new ATOM 0 HG2 GLN A 22 3.372 -0.901 -6.744 1.00 63.33 H new ATOM 0 HG3 GLN A 22 4.070 -0.256 -5.271 1.00 63.33 H new ATOM 0 HE21 GLN A 22 6.257 -1.494 -4.718 1.00 24.35 H new ATOM 0 HE22 GLN A 22 7.445 -1.472 -6.025 1.00 24.35 H new ATOM 322 N GLU A 23 4.978 -4.447 -7.239 1.00 12.44 N ATOM 323 CA GLU A 23 5.881 -4.765 -8.332 1.00 74.13 C ATOM 324 C GLU A 23 5.135 -5.523 -9.432 1.00 34.40 C ATOM 325 O GLU A 23 5.430 -5.357 -10.615 1.00 52.01 O ATOM 326 CB GLU A 23 7.084 -5.568 -7.833 1.00 34.23 C ATOM 327 CG GLU A 23 7.975 -4.714 -6.928 1.00 73.42 C ATOM 328 CD GLU A 23 8.690 -5.580 -5.888 1.00 34.41 C ATOM 329 OE1 GLU A 23 8.494 -6.804 -5.860 1.00 21.53 O ATOM 330 OE2 GLU A 23 9.476 -4.939 -5.093 1.00 2.42 O ATOM 0 H GLU A 23 5.207 -4.897 -6.353 1.00 12.44 H new ATOM 0 HA GLU A 23 6.257 -3.832 -8.751 1.00 74.13 H new ATOM 0 HB2 GLU A 23 6.739 -6.446 -7.286 1.00 34.23 H new ATOM 0 HB3 GLU A 23 7.663 -5.929 -8.683 1.00 34.23 H new ATOM 0 HG2 GLU A 23 8.711 -4.183 -7.532 1.00 73.42 H new ATOM 0 HG3 GLU A 23 7.371 -3.959 -6.425 1.00 73.42 H new ATOM 338 N LEU A 24 4.183 -6.339 -9.004 1.00 4.10 N ATOM 339 CA LEU A 24 3.392 -7.122 -9.938 1.00 13.11 C ATOM 340 C LEU A 24 2.381 -6.209 -10.634 1.00 53.11 C ATOM 341 O LEU A 24 2.145 -6.339 -11.835 1.00 14.33 O ATOM 342 CB LEU A 24 2.754 -8.318 -9.228 1.00 71.12 C ATOM 343 CG LEU A 24 3.048 -9.692 -9.834 1.00 15.40 C ATOM 344 CD1 LEU A 24 4.304 -10.308 -9.211 1.00 33.22 C ATOM 345 CD2 LEU A 24 1.836 -10.616 -9.712 1.00 52.52 C ATOM 0 H LEU A 24 3.942 -6.475 -8.022 1.00 4.10 H new ATOM 0 HA LEU A 24 4.028 -7.544 -10.716 1.00 13.11 H new ATOM 0 HB2 LEU A 24 3.089 -8.321 -8.191 1.00 71.12 H new ATOM 0 HB3 LEU A 24 1.674 -8.173 -9.213 1.00 71.12 H new ATOM 0 HG LEU A 24 3.246 -9.561 -10.898 1.00 15.40 H new ATOM 0 HD11 LEU A 24 4.491 -11.284 -9.659 1.00 33.22 H new ATOM 0 HD12 LEU A 24 5.158 -9.656 -9.393 1.00 33.22 H new ATOM 0 HD13 LEU A 24 4.158 -10.424 -8.137 1.00 33.22 H new ATOM 0 HD21 LEU A 24 2.072 -11.586 -10.150 1.00 52.52 H new ATOM 0 HD22 LEU A 24 1.582 -10.746 -8.660 1.00 52.52 H new ATOM 0 HD23 LEU A 24 0.989 -10.176 -10.238 1.00 52.52 H new ATOM 357 N LEU A 25 1.809 -5.306 -9.851 1.00 53.31 N ATOM 358 CA LEU A 25 0.828 -4.372 -10.377 1.00 61.24 C ATOM 359 C LEU A 25 1.526 -3.374 -11.302 1.00 74.35 C ATOM 360 O LEU A 25 0.908 -2.831 -12.217 1.00 43.55 O ATOM 361 CB LEU A 25 0.050 -3.713 -9.236 1.00 73.35 C ATOM 362 CG LEU A 25 -0.939 -2.620 -9.643 1.00 20.44 C ATOM 363 CD1 LEU A 25 -2.383 -3.087 -9.454 1.00 72.01 C ATOM 364 CD2 LEU A 25 -0.655 -1.317 -8.893 1.00 30.30 C ATOM 0 H LEU A 25 2.006 -5.201 -8.856 1.00 53.31 H new ATOM 0 HA LEU A 25 0.085 -4.897 -10.977 1.00 61.24 H new ATOM 0 HB2 LEU A 25 -0.497 -4.489 -8.700 1.00 73.35 H new ATOM 0 HB3 LEU A 25 0.766 -3.285 -8.534 1.00 73.35 H new ATOM 0 HG LEU A 25 -0.804 -2.417 -10.705 1.00 20.44 H new ATOM 0 HD11 LEU A 25 -3.065 -2.290 -9.751 1.00 72.01 H new ATOM 0 HD12 LEU A 25 -2.564 -3.968 -10.070 1.00 72.01 H new ATOM 0 HD13 LEU A 25 -2.551 -3.336 -8.406 1.00 72.01 H new ATOM 0 HD21 LEU A 25 -1.372 -0.556 -9.201 1.00 30.30 H new ATOM 0 HD22 LEU A 25 -0.745 -1.488 -7.820 1.00 30.30 H new ATOM 0 HD23 LEU A 25 0.355 -0.978 -9.123 1.00 30.30 H new ATOM 376 N GLU A 26 2.806 -3.162 -11.034 1.00 42.22 N ATOM 377 CA GLU A 26 3.596 -2.238 -11.831 1.00 61.44 C ATOM 378 C GLU A 26 3.593 -2.669 -13.299 1.00 15.32 C ATOM 379 O GLU A 26 3.475 -1.833 -14.194 1.00 55.41 O ATOM 380 CB GLU A 26 5.024 -2.131 -11.293 1.00 44.33 C ATOM 381 CG GLU A 26 5.977 -1.606 -12.368 1.00 35.30 C ATOM 382 CD GLU A 26 7.292 -1.129 -11.749 1.00 20.12 C ATOM 383 OE1 GLU A 26 8.221 -0.753 -12.480 1.00 63.43 O ATOM 384 OE2 GLU A 26 7.330 -1.157 -10.460 1.00 32.24 O ATOM 0 H GLU A 26 3.316 -3.614 -10.276 1.00 42.22 H new ATOM 0 HA GLU A 26 3.143 -1.249 -11.762 1.00 61.44 H new ATOM 0 HB2 GLU A 26 5.042 -1.466 -10.430 1.00 44.33 H new ATOM 0 HB3 GLU A 26 5.361 -3.109 -10.949 1.00 44.33 H new ATOM 0 HG2 GLU A 26 6.178 -2.392 -13.096 1.00 35.30 H new ATOM 0 HG3 GLU A 26 5.506 -0.784 -12.907 1.00 35.30 H new ATOM 392 N LEU A 27 3.726 -3.971 -13.501 1.00 41.31 N ATOM 393 CA LEU A 27 3.741 -4.522 -14.844 1.00 72.44 C ATOM 394 C LEU A 27 2.424 -4.181 -15.546 1.00 54.30 C ATOM 395 O LEU A 27 2.399 -3.971 -16.757 1.00 35.54 O ATOM 396 CB LEU A 27 4.046 -6.021 -14.806 1.00 65.14 C ATOM 397 CG LEU A 27 4.787 -6.587 -16.019 1.00 24.12 C ATOM 398 CD1 LEU A 27 3.897 -6.566 -17.264 1.00 13.22 C ATOM 399 CD2 LEU A 27 6.109 -5.851 -16.246 1.00 30.35 C ATOM 0 H LEU A 27 3.824 -4.661 -12.756 1.00 41.31 H new ATOM 0 HA LEU A 27 4.542 -4.072 -15.430 1.00 72.44 H new ATOM 0 HB2 LEU A 27 4.638 -6.228 -13.915 1.00 65.14 H new ATOM 0 HB3 LEU A 27 3.105 -6.560 -14.696 1.00 65.14 H new ATOM 0 HG LEU A 27 5.030 -7.630 -15.815 1.00 24.12 H new ATOM 0 HD11 LEU A 27 4.448 -6.974 -18.112 1.00 13.22 H new ATOM 0 HD12 LEU A 27 3.007 -7.170 -17.085 1.00 13.22 H new ATOM 0 HD13 LEU A 27 3.601 -5.540 -17.483 1.00 13.22 H new ATOM 0 HD21 LEU A 27 6.616 -6.273 -17.114 1.00 30.35 H new ATOM 0 HD22 LEU A 27 5.911 -4.793 -16.420 1.00 30.35 H new ATOM 0 HD23 LEU A 27 6.743 -5.962 -15.366 1.00 30.35 H new ATOM 411 N ASP A 28 1.363 -4.138 -14.754 1.00 22.24 N ATOM 412 CA ASP A 28 0.047 -3.826 -15.284 1.00 24.55 C ATOM 413 C ASP A 28 0.098 -2.477 -16.005 1.00 12.35 C ATOM 414 O ASP A 28 -0.507 -2.310 -17.062 1.00 74.25 O ATOM 415 CB ASP A 28 -0.989 -3.723 -14.162 1.00 74.21 C ATOM 416 CG ASP A 28 -2.372 -4.280 -14.505 1.00 21.02 C ATOM 417 OD1 ASP A 28 -2.530 -5.049 -15.465 1.00 32.10 O ATOM 418 OD2 ASP A 28 -3.325 -3.888 -13.730 1.00 12.23 O ATOM 0 H ASP A 28 1.388 -4.314 -13.750 1.00 22.24 H new ATOM 0 HA ASP A 28 -0.239 -4.626 -15.967 1.00 24.55 H new ATOM 0 HB2 ASP A 28 -0.608 -4.250 -13.287 1.00 74.21 H new ATOM 0 HB3 ASP A 28 -1.095 -2.675 -13.881 1.00 74.21 H new ATOM 424 N LYS A 29 0.827 -1.548 -15.403 1.00 72.12 N ATOM 425 CA LYS A 29 0.965 -0.219 -15.974 1.00 3.34 C ATOM 426 C LYS A 29 1.899 -0.283 -17.183 1.00 75.54 C ATOM 427 O LYS A 29 1.770 0.509 -18.116 1.00 22.21 O ATOM 428 CB LYS A 29 1.412 0.779 -14.904 1.00 12.23 C ATOM 429 CG LYS A 29 2.090 1.996 -15.539 1.00 44.30 C ATOM 430 CD LYS A 29 2.288 3.111 -14.510 1.00 11.14 C ATOM 431 CE LYS A 29 1.036 3.984 -14.399 1.00 40.33 C ATOM 432 NZ LYS A 29 1.351 5.258 -13.716 1.00 51.15 N ATOM 0 H LYS A 29 1.328 -1.690 -14.526 1.00 72.12 H new ATOM 0 HA LYS A 29 0.002 0.144 -16.334 1.00 3.34 H new ATOM 0 HB2 LYS A 29 0.550 1.102 -14.320 1.00 12.23 H new ATOM 0 HB3 LYS A 29 2.101 0.293 -14.213 1.00 12.23 H new ATOM 0 HG2 LYS A 29 3.054 1.704 -15.955 1.00 44.30 H new ATOM 0 HG3 LYS A 29 1.484 2.364 -16.367 1.00 44.30 H new ATOM 0 HD2 LYS A 29 2.520 2.676 -13.538 1.00 11.14 H new ATOM 0 HD3 LYS A 29 3.141 3.727 -14.795 1.00 11.14 H new ATOM 0 HE2 LYS A 29 0.637 4.186 -15.393 1.00 40.33 H new ATOM 0 HE3 LYS A 29 0.262 3.451 -13.848 1.00 40.33 H new ATOM 0 HZ1 LYS A 29 0.490 5.838 -13.649 1.00 51.15 H new ATOM 0 HZ2 LYS A 29 1.710 5.060 -12.760 1.00 51.15 H new ATOM 0 HZ3 LYS A 29 2.074 5.773 -14.258 1.00 51.15 H new ATOM 445 N TRP A 30 2.821 -1.233 -17.129 1.00 73.33 N ATOM 446 CA TRP A 30 3.777 -1.412 -18.209 1.00 33.12 C ATOM 447 C TRP A 30 3.023 -1.961 -19.422 1.00 53.44 C ATOM 448 O TRP A 30 3.399 -1.698 -20.563 1.00 2.11 O ATOM 449 CB TRP A 30 4.938 -2.305 -17.772 1.00 54.23 C ATOM 450 CG TRP A 30 6.171 -2.210 -18.673 1.00 73.33 C ATOM 451 CD1 TRP A 30 7.337 -1.603 -18.415 1.00 51.53 C ATOM 452 CD2 TRP A 30 6.313 -2.767 -19.996 1.00 33.32 C ATOM 453 NE1 TRP A 30 8.217 -1.726 -19.470 1.00 71.14 N ATOM 454 CE2 TRP A 30 7.575 -2.458 -20.463 1.00 32.23 C ATOM 455 CE3 TRP A 30 5.406 -3.509 -20.775 1.00 11.24 C ATOM 456 CZ2 TRP A 30 8.044 -2.848 -21.723 1.00 11.12 C ATOM 457 CZ3 TRP A 30 5.891 -3.891 -22.031 1.00 24.42 C ATOM 458 CH2 TRP A 30 7.157 -3.588 -22.515 1.00 33.24 C ATOM 0 H TRP A 30 2.926 -1.887 -16.354 1.00 73.33 H new ATOM 0 HA TRP A 30 4.231 -0.460 -18.483 1.00 33.12 H new ATOM 0 HB2 TRP A 30 5.224 -2.040 -16.754 1.00 54.23 H new ATOM 0 HB3 TRP A 30 4.597 -3.340 -17.748 1.00 54.23 H new ATOM 0 HD1 TRP A 30 7.560 -1.082 -17.496 1.00 51.53 H new ATOM 0 HE1 TRP A 30 9.164 -1.350 -19.514 1.00 71.14 H new ATOM 0 HE3 TRP A 30 4.414 -3.763 -20.431 1.00 11.24 H new ATOM 0 HZ2 TRP A 30 9.036 -2.592 -22.066 1.00 11.12 H new ATOM 0 HZ3 TRP A 30 5.234 -4.462 -22.670 1.00 24.42 H new ATOM 0 HH2 TRP A 30 7.456 -3.921 -23.498 1.00 33.24 H new ATOM 469 N ALA A 31 1.973 -2.716 -19.134 1.00 62.12 N ATOM 470 CA ALA A 31 1.163 -3.306 -20.187 1.00 51.42 C ATOM 471 C ALA A 31 0.697 -2.206 -21.141 1.00 4.05 C ATOM 472 O ALA A 31 0.512 -2.450 -22.332 1.00 33.24 O ATOM 473 CB ALA A 31 -0.005 -4.073 -19.563 1.00 5.23 C ATOM 0 H ALA A 31 1.664 -2.933 -18.186 1.00 62.12 H new ATOM 0 HA ALA A 31 1.747 -4.020 -20.768 1.00 51.42 H new ATOM 0 HB1 ALA A 31 -0.613 -4.516 -20.352 1.00 5.23 H new ATOM 0 HB2 ALA A 31 0.381 -4.861 -18.917 1.00 5.23 H new ATOM 0 HB3 ALA A 31 -0.617 -3.389 -18.975 1.00 5.23 H new ATOM 479 N SER A 32 0.518 -1.018 -20.583 1.00 43.41 N ATOM 480 CA SER A 32 0.076 0.121 -21.369 1.00 62.15 C ATOM 481 C SER A 32 0.985 0.300 -22.586 1.00 65.50 C ATOM 482 O SER A 32 0.533 0.738 -23.644 1.00 42.13 O ATOM 483 CB SER A 32 0.057 1.398 -20.528 1.00 43.20 C ATOM 484 OG SER A 32 -1.045 1.428 -19.625 1.00 33.43 O ATOM 0 H SER A 32 0.671 -0.819 -19.594 1.00 43.41 H new ATOM 0 HA SER A 32 -0.942 -0.072 -21.708 1.00 62.15 H new ATOM 0 HB2 SER A 32 0.988 1.476 -19.966 1.00 43.20 H new ATOM 0 HB3 SER A 32 0.009 2.265 -21.187 1.00 43.20 H new ATOM 0 HG SER A 32 -1.020 2.259 -19.106 1.00 33.43 H new ATOM 490 N LEU A 33 2.249 -0.047 -22.398 1.00 44.42 N ATOM 491 CA LEU A 33 3.226 0.070 -23.467 1.00 50.13 C ATOM 492 C LEU A 33 2.714 -0.672 -24.702 1.00 71.12 C ATOM 493 O LEU A 33 2.764 -0.146 -25.813 1.00 74.12 O ATOM 494 CB LEU A 33 4.601 -0.403 -22.991 1.00 71.21 C ATOM 495 CG LEU A 33 5.797 0.416 -23.481 1.00 54.33 C ATOM 496 CD1 LEU A 33 6.763 0.714 -22.333 1.00 14.32 C ATOM 497 CD2 LEU A 33 6.495 -0.280 -24.651 1.00 13.11 C ATOM 0 H LEU A 33 2.620 -0.410 -21.520 1.00 44.42 H new ATOM 0 HA LEU A 33 3.356 1.114 -23.752 1.00 50.13 H new ATOM 0 HB2 LEU A 33 4.607 -0.402 -21.901 1.00 71.21 H new ATOM 0 HB3 LEU A 33 4.738 -1.436 -23.309 1.00 71.21 H new ATOM 0 HG LEU A 33 5.429 1.373 -23.849 1.00 54.33 H new ATOM 0 HD11 LEU A 33 7.604 1.297 -22.708 1.00 14.32 H new ATOM 0 HD12 LEU A 33 6.245 1.280 -21.559 1.00 14.32 H new ATOM 0 HD13 LEU A 33 7.129 -0.223 -21.913 1.00 14.32 H new ATOM 0 HD21 LEU A 33 7.341 0.323 -24.980 1.00 13.11 H new ATOM 0 HD22 LEU A 33 6.850 -1.260 -24.332 1.00 13.11 H new ATOM 0 HD23 LEU A 33 5.792 -0.399 -25.475 1.00 13.11 H new ATOM 509 N TRP A 34 2.232 -1.885 -24.468 1.00 22.35 N ATOM 510 CA TRP A 34 1.711 -2.705 -25.548 1.00 42.22 C ATOM 511 C TRP A 34 0.702 -1.866 -26.335 1.00 71.00 C ATOM 512 O TRP A 34 0.817 -1.729 -27.552 1.00 14.32 O ATOM 513 CB TRP A 34 1.115 -4.007 -25.010 1.00 2.11 C ATOM 514 CG TRP A 34 2.159 -5.036 -24.574 1.00 3.32 C ATOM 515 CD1 TRP A 34 2.969 -4.989 -23.507 1.00 31.31 C ATOM 516 CD2 TRP A 34 2.475 -6.276 -25.240 1.00 33.44 C ATOM 517 NE1 TRP A 34 3.781 -6.103 -23.439 1.00 4.20 N ATOM 518 CE2 TRP A 34 3.471 -6.910 -24.525 1.00 33.52 C ATOM 519 CE3 TRP A 34 1.938 -6.843 -26.409 1.00 64.15 C ATOM 520 CZ2 TRP A 34 4.015 -8.145 -24.900 1.00 53.50 C ATOM 521 CZ3 TRP A 34 2.492 -8.078 -26.770 1.00 11.44 C ATOM 522 CH2 TRP A 34 3.494 -8.728 -26.061 1.00 73.13 C ATOM 0 H TRP A 34 2.192 -2.319 -23.546 1.00 22.35 H new ATOM 0 HA TRP A 34 2.512 -3.009 -26.222 1.00 42.22 H new ATOM 0 HB2 TRP A 34 0.471 -3.776 -24.161 1.00 2.11 H new ATOM 0 HB3 TRP A 34 0.482 -4.450 -25.779 1.00 2.11 H new ATOM 0 HD1 TRP A 34 2.984 -4.181 -22.791 1.00 31.31 H new ATOM 0 HE1 TRP A 34 4.480 -6.298 -22.722 1.00 4.20 H new ATOM 0 HE3 TRP A 34 1.159 -6.364 -26.984 1.00 64.15 H new ATOM 0 HZ2 TRP A 34 4.795 -8.622 -24.324 1.00 53.50 H new ATOM 0 HZ3 TRP A 34 2.114 -8.558 -27.661 1.00 11.44 H new ATOM 0 HH2 TRP A 34 3.870 -9.680 -26.404 1.00 73.13 H new ATOM 533 N ASN A 35 -0.265 -1.325 -25.608 1.00 31.22 N ATOM 534 CA ASN A 35 -1.293 -0.503 -26.223 1.00 43.41 C ATOM 535 C ASN A 35 -1.939 -1.278 -27.373 1.00 51.25 C ATOM 536 O ASN A 35 -3.160 -1.271 -27.522 1.00 23.43 O ATOM 537 CB ASN A 35 -0.699 0.785 -26.795 1.00 65.31 C ATOM 538 CG ASN A 35 -1.608 1.983 -26.509 1.00 53.40 C ATOM 539 OD1 ASN A 35 -2.688 2.122 -27.058 1.00 75.31 O ATOM 540 ND2 ASN A 35 -1.111 2.836 -25.618 1.00 22.04 N ATOM 0 H ASN A 35 -0.358 -1.440 -24.599 1.00 31.22 H new ATOM 0 HA ASN A 35 -2.027 -0.252 -25.457 1.00 43.41 H new ATOM 0 HB2 ASN A 35 0.286 0.959 -26.361 1.00 65.31 H new ATOM 0 HB3 ASN A 35 -0.559 0.679 -27.871 1.00 65.31 H new ATOM 0 HD21 ASN A 35 -1.641 3.667 -25.357 1.00 22.04 H new ATOM 0 HD22 ASN A 35 -0.199 2.659 -25.196 1.00 22.04 H new TER 547 ASN A 35