USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (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+ 157:sc= -0.236 (180deg=-1.08) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.3) USER MOD Single : A 22 GLN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 90:sc= 0.00283 USER MOD Single : A 35 ASN : amide:sc= 1.04 K(o=1,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.276 -3.204 -6.023 1.00 33.41 N ATOM 2 CA GLY A 1 -27.941 -3.741 -6.229 1.00 32.44 C ATOM 3 C GLY A 1 -26.915 -2.616 -6.377 1.00 10.02 C ATOM 4 O GLY A 1 -26.631 -2.172 -7.488 1.00 30.25 O ATOM 0 H1 GLY A 1 -29.954 -3.987 -5.925 1.00 33.41 H new ATOM 0 H2 GLY A 1 -29.288 -2.626 -5.159 1.00 33.41 H new ATOM 0 H3 GLY A 1 -29.543 -2.615 -6.837 1.00 33.41 H new ATOM 0 HA2 GLY A 1 -27.668 -4.379 -5.388 1.00 32.44 H new ATOM 0 HA3 GLY A 1 -27.931 -4.367 -7.121 1.00 32.44 H new ATOM 8 N ILE A 2 -26.387 -2.186 -5.240 1.00 71.33 N ATOM 9 CA ILE A 2 -25.398 -1.122 -5.229 1.00 3.14 C ATOM 10 C ILE A 2 -24.176 -1.575 -4.428 1.00 5.51 C ATOM 11 O ILE A 2 -24.039 -1.234 -3.253 1.00 75.24 O ATOM 12 CB ILE A 2 -26.019 0.181 -4.720 1.00 72.20 C ATOM 13 CG1 ILE A 2 -24.963 1.280 -4.597 1.00 71.10 C ATOM 14 CG2 ILE A 2 -26.767 -0.046 -3.404 1.00 2.20 C ATOM 15 CD1 ILE A 2 -25.607 2.622 -4.241 1.00 35.31 C ATOM 0 H ILE A 2 -26.626 -2.556 -4.320 1.00 71.33 H new ATOM 0 HA ILE A 2 -25.055 -0.911 -6.242 1.00 3.14 H new ATOM 0 HB ILE A 2 -26.752 0.520 -5.453 1.00 72.20 H new ATOM 0 HG12 ILE A 2 -24.236 1.007 -3.832 1.00 71.10 H new ATOM 0 HG13 ILE A 2 -24.418 1.372 -5.536 1.00 71.10 H new ATOM 0 HG21 ILE A 2 -27.199 0.895 -3.064 1.00 2.20 H new ATOM 0 HG22 ILE A 2 -27.562 -0.775 -3.559 1.00 2.20 H new ATOM 0 HG23 ILE A 2 -26.073 -0.420 -2.651 1.00 2.20 H new ATOM 0 HD11 ILE A 2 -24.834 3.386 -4.160 1.00 35.31 H new ATOM 0 HD12 ILE A 2 -26.315 2.904 -5.020 1.00 35.31 H new ATOM 0 HD13 ILE A 2 -26.131 2.533 -3.289 1.00 35.31 H new ATOM 27 N GLY A 3 -23.321 -2.336 -5.094 1.00 1.24 N ATOM 28 CA GLY A 3 -22.116 -2.840 -4.458 1.00 14.52 C ATOM 29 C GLY A 3 -21.011 -1.779 -4.458 1.00 31.21 C ATOM 30 O GLY A 3 -19.951 -1.982 -3.869 1.00 75.50 O ATOM 0 H GLY A 3 -23.439 -2.616 -6.068 1.00 1.24 H new ATOM 0 HA2 GLY A 3 -22.339 -3.138 -3.434 1.00 14.52 H new ATOM 0 HA3 GLY A 3 -21.770 -3.731 -4.981 1.00 14.52 H new ATOM 34 N ALA A 4 -21.300 -0.672 -5.127 1.00 0.31 N ATOM 35 CA ALA A 4 -20.345 0.420 -5.212 1.00 53.42 C ATOM 36 C ALA A 4 -20.073 0.965 -3.808 1.00 22.12 C ATOM 37 O ALA A 4 -19.020 1.551 -3.559 1.00 24.12 O ATOM 38 CB ALA A 4 -20.882 1.494 -6.160 1.00 12.31 C ATOM 0 H ALA A 4 -22.181 -0.508 -5.615 1.00 0.31 H new ATOM 0 HA ALA A 4 -19.396 0.070 -5.619 1.00 53.42 H new ATOM 0 HB1 ALA A 4 -20.166 2.313 -6.224 1.00 12.31 H new ATOM 0 HB2 ALA A 4 -21.031 1.064 -7.150 1.00 12.31 H new ATOM 0 HB3 ALA A 4 -21.832 1.871 -5.782 1.00 12.31 H new ATOM 44 N LEU A 5 -21.040 0.752 -2.928 1.00 5.20 N ATOM 45 CA LEU A 5 -20.918 1.215 -1.556 1.00 65.15 C ATOM 46 C LEU A 5 -19.756 0.486 -0.878 1.00 51.11 C ATOM 47 O LEU A 5 -19.104 1.039 0.006 1.00 43.52 O ATOM 48 CB LEU A 5 -22.251 1.065 -0.820 1.00 11.15 C ATOM 49 CG LEU A 5 -22.916 2.366 -0.365 1.00 62.42 C ATOM 50 CD1 LEU A 5 -24.440 2.256 -0.436 1.00 65.42 C ATOM 51 CD2 LEU A 5 -22.434 2.771 1.029 1.00 62.21 C ATOM 0 H LEU A 5 -21.911 0.265 -3.138 1.00 5.20 H new ATOM 0 HA LEU A 5 -20.685 2.279 -1.532 1.00 65.15 H new ATOM 0 HB2 LEU A 5 -22.945 0.534 -1.471 1.00 11.15 H new ATOM 0 HB3 LEU A 5 -22.091 0.436 0.056 1.00 11.15 H new ATOM 0 HG LEU A 5 -22.618 3.160 -1.050 1.00 62.42 H new ATOM 0 HD11 LEU A 5 -24.888 3.194 -0.107 1.00 65.42 H new ATOM 0 HD12 LEU A 5 -24.742 2.049 -1.463 1.00 65.42 H new ATOM 0 HD13 LEU A 5 -24.777 1.446 0.211 1.00 65.42 H new ATOM 0 HD21 LEU A 5 -22.922 3.699 1.328 1.00 62.21 H new ATOM 0 HD22 LEU A 5 -22.681 1.985 1.742 1.00 62.21 H new ATOM 0 HD23 LEU A 5 -21.354 2.919 1.012 1.00 62.21 H new ATOM 63 N PHE A 6 -19.532 -0.743 -1.320 1.00 1.42 N ATOM 64 CA PHE A 6 -18.460 -1.553 -0.767 1.00 14.52 C ATOM 65 C PHE A 6 -17.135 -1.268 -1.477 1.00 14.01 C ATOM 66 O PHE A 6 -16.069 -1.358 -0.871 1.00 1.31 O ATOM 67 CB PHE A 6 -18.842 -3.016 -0.993 1.00 70.22 C ATOM 68 CG PHE A 6 -18.237 -3.983 0.027 1.00 5.25 C ATOM 69 CD1 PHE A 6 -18.597 -3.901 1.337 1.00 63.10 C ATOM 70 CD2 PHE A 6 -17.341 -4.923 -0.374 1.00 15.43 C ATOM 71 CE1 PHE A 6 -18.036 -4.798 2.284 1.00 51.12 C ATOM 72 CE2 PHE A 6 -16.779 -5.819 0.574 1.00 21.40 C ATOM 73 CZ PHE A 6 -17.139 -5.738 1.882 1.00 50.45 C ATOM 0 H PHE A 6 -20.075 -1.197 -2.055 1.00 1.42 H new ATOM 0 HA PHE A 6 -18.330 -1.326 0.291 1.00 14.52 H new ATOM 0 HB2 PHE A 6 -19.928 -3.106 -0.963 1.00 70.22 H new ATOM 0 HB3 PHE A 6 -18.525 -3.313 -1.993 1.00 70.22 H new ATOM 0 HD1 PHE A 6 -19.309 -3.154 1.656 1.00 63.10 H new ATOM 0 HD2 PHE A 6 -17.056 -4.989 -1.414 1.00 15.43 H new ATOM 0 HE1 PHE A 6 -18.322 -4.734 3.324 1.00 51.12 H new ATOM 0 HE2 PHE A 6 -16.066 -6.565 0.255 1.00 21.40 H new ATOM 0 HZ PHE A 6 -16.713 -6.420 2.602 1.00 50.45 H new ATOM 83 N LEU A 7 -17.246 -0.931 -2.754 1.00 13.34 N ATOM 84 CA LEU A 7 -16.071 -0.633 -3.554 1.00 15.42 C ATOM 85 C LEU A 7 -15.309 0.533 -2.920 1.00 2.41 C ATOM 86 O LEU A 7 -14.086 0.486 -2.797 1.00 53.42 O ATOM 87 CB LEU A 7 -16.462 -0.389 -5.013 1.00 62.43 C ATOM 88 CG LEU A 7 -15.322 -0.431 -6.030 1.00 53.14 C ATOM 89 CD1 LEU A 7 -15.423 -1.673 -6.917 1.00 53.12 C ATOM 90 CD2 LEU A 7 -15.272 0.857 -6.853 1.00 32.44 C ATOM 0 H LEU A 7 -18.132 -0.858 -3.254 1.00 13.34 H new ATOM 0 HA LEU A 7 -15.395 -1.488 -3.568 1.00 15.42 H new ATOM 0 HB2 LEU A 7 -17.204 -1.134 -5.299 1.00 62.43 H new ATOM 0 HB3 LEU A 7 -16.946 0.585 -5.080 1.00 62.43 H new ATOM 0 HG LEU A 7 -14.381 -0.501 -5.484 1.00 53.14 H new ATOM 0 HD11 LEU A 7 -14.600 -1.678 -7.631 1.00 53.12 H new ATOM 0 HD12 LEU A 7 -15.371 -2.568 -6.297 1.00 53.12 H new ATOM 0 HD13 LEU A 7 -16.371 -1.659 -7.455 1.00 53.12 H new ATOM 0 HD21 LEU A 7 -14.452 0.800 -7.569 1.00 32.44 H new ATOM 0 HD22 LEU A 7 -16.213 0.983 -7.389 1.00 32.44 H new ATOM 0 HD23 LEU A 7 -15.116 1.707 -6.189 1.00 32.44 H new ATOM 102 N GLY A 8 -16.064 1.550 -2.532 1.00 35.24 N ATOM 103 CA GLY A 8 -15.475 2.726 -1.913 1.00 51.13 C ATOM 104 C GLY A 8 -14.581 2.335 -0.734 1.00 70.21 C ATOM 105 O GLY A 8 -13.488 2.877 -0.573 1.00 74.44 O ATOM 0 H GLY A 8 -17.078 1.584 -2.634 1.00 35.24 H new ATOM 0 HA2 GLY A 8 -14.890 3.276 -2.651 1.00 51.13 H new ATOM 0 HA3 GLY A 8 -16.264 3.395 -1.570 1.00 51.13 H new ATOM 109 N PHE A 9 -15.079 1.398 0.059 1.00 54.04 N ATOM 110 CA PHE A 9 -14.339 0.928 1.218 1.00 11.51 C ATOM 111 C PHE A 9 -13.025 0.266 0.798 1.00 63.20 C ATOM 112 O PHE A 9 -11.954 0.652 1.266 1.00 20.51 O ATOM 113 CB PHE A 9 -15.217 -0.109 1.920 1.00 31.32 C ATOM 114 CG PHE A 9 -15.067 -0.124 3.442 1.00 52.34 C ATOM 115 CD1 PHE A 9 -14.459 -1.176 4.054 1.00 45.11 C ATOM 116 CD2 PHE A 9 -15.540 0.913 4.183 1.00 60.12 C ATOM 117 CE1 PHE A 9 -14.320 -1.191 5.468 1.00 61.22 C ATOM 118 CE2 PHE A 9 -15.400 0.898 5.597 1.00 73.43 C ATOM 119 CZ PHE A 9 -14.793 -0.154 6.208 1.00 4.30 C ATOM 0 H PHE A 9 -15.986 0.952 -0.078 1.00 54.04 H new ATOM 0 HA PHE A 9 -14.100 1.767 1.871 1.00 11.51 H new ATOM 0 HB2 PHE A 9 -16.260 0.084 1.670 1.00 31.32 H new ATOM 0 HB3 PHE A 9 -14.974 -1.098 1.532 1.00 31.32 H new ATOM 0 HD1 PHE A 9 -14.082 -1.999 3.465 1.00 45.11 H new ATOM 0 HD2 PHE A 9 -16.022 1.748 3.697 1.00 60.12 H new ATOM 0 HE1 PHE A 9 -13.839 -2.026 5.955 1.00 61.22 H new ATOM 0 HE2 PHE A 9 -15.776 1.722 6.186 1.00 73.43 H new ATOM 0 HZ PHE A 9 -14.687 -0.166 7.283 1.00 4.30 H new ATOM 129 N LEU A 10 -13.150 -0.719 -0.079 1.00 13.20 N ATOM 130 CA LEU A 10 -11.985 -1.438 -0.567 1.00 21.00 C ATOM 131 C LEU A 10 -11.011 -0.448 -1.208 1.00 61.23 C ATOM 132 O LEU A 10 -9.815 -0.718 -1.297 1.00 74.12 O ATOM 133 CB LEU A 10 -12.409 -2.575 -1.499 1.00 22.11 C ATOM 134 CG LEU A 10 -13.518 -3.492 -0.976 1.00 72.33 C ATOM 135 CD1 LEU A 10 -13.799 -4.627 -1.962 1.00 42.04 C ATOM 136 CD2 LEU A 10 -13.183 -4.015 0.421 1.00 53.32 C ATOM 0 H LEU A 10 -14.040 -1.036 -0.464 1.00 13.20 H new ATOM 0 HA LEU A 10 -11.457 -1.914 0.260 1.00 21.00 H new ATOM 0 HB2 LEU A 10 -12.739 -2.141 -2.443 1.00 22.11 H new ATOM 0 HB3 LEU A 10 -11.533 -3.185 -1.717 1.00 22.11 H new ATOM 0 HG LEU A 10 -14.434 -2.907 -0.889 1.00 72.33 H new ATOM 0 HD11 LEU A 10 -14.590 -5.264 -1.567 1.00 42.04 H new ATOM 0 HD12 LEU A 10 -14.113 -4.209 -2.918 1.00 42.04 H new ATOM 0 HD13 LEU A 10 -12.894 -5.218 -2.104 1.00 42.04 H new ATOM 0 HD21 LEU A 10 -13.987 -4.664 0.769 1.00 53.32 H new ATOM 0 HD22 LEU A 10 -12.251 -4.579 0.384 1.00 53.32 H new ATOM 0 HD23 LEU A 10 -13.072 -3.175 1.107 1.00 53.32 H new ATOM 148 N GLY A 11 -11.560 0.678 -1.639 1.00 25.31 N ATOM 149 CA GLY A 11 -10.755 1.710 -2.270 1.00 42.50 C ATOM 150 C GLY A 11 -9.574 2.104 -1.380 1.00 11.15 C ATOM 151 O GLY A 11 -8.445 2.218 -1.856 1.00 20.15 O ATOM 0 H GLY A 11 -12.553 0.898 -1.564 1.00 25.31 H new ATOM 0 HA2 GLY A 11 -10.387 1.352 -3.232 1.00 42.50 H new ATOM 0 HA3 GLY A 11 -11.372 2.586 -2.471 1.00 42.50 H new ATOM 155 N ALA A 12 -9.874 2.301 -0.105 1.00 25.53 N ATOM 156 CA ALA A 12 -8.853 2.680 0.855 1.00 14.11 C ATOM 157 C ALA A 12 -7.919 1.492 1.095 1.00 14.51 C ATOM 158 O ALA A 12 -6.698 1.637 1.045 1.00 0.21 O ATOM 159 CB ALA A 12 -9.517 3.169 2.143 1.00 1.21 C ATOM 0 H ALA A 12 -10.811 2.205 0.286 1.00 25.53 H new ATOM 0 HA ALA A 12 -8.250 3.501 0.468 1.00 14.11 H new ATOM 0 HB1 ALA A 12 -8.749 3.453 2.863 1.00 1.21 H new ATOM 0 HB2 ALA A 12 -10.146 4.032 1.923 1.00 1.21 H new ATOM 0 HB3 ALA A 12 -10.130 2.371 2.562 1.00 1.21 H new ATOM 165 N ALA A 13 -8.528 0.344 1.350 1.00 45.54 N ATOM 166 CA ALA A 13 -7.767 -0.868 1.599 1.00 72.34 C ATOM 167 C ALA A 13 -6.848 -1.141 0.405 1.00 44.05 C ATOM 168 O ALA A 13 -5.799 -1.765 0.556 1.00 15.21 O ATOM 169 CB ALA A 13 -8.727 -2.028 1.871 1.00 23.10 C ATOM 0 H ALA A 13 -9.541 0.227 1.390 1.00 45.54 H new ATOM 0 HA ALA A 13 -7.138 -0.752 2.482 1.00 72.34 H new ATOM 0 HB1 ALA A 13 -8.155 -2.937 2.058 1.00 23.10 H new ATOM 0 HB2 ALA A 13 -9.338 -1.798 2.744 1.00 23.10 H new ATOM 0 HB3 ALA A 13 -9.373 -2.177 1.005 1.00 23.10 H new ATOM 175 N GLY A 14 -7.276 -0.661 -0.752 1.00 60.12 N ATOM 176 CA GLY A 14 -6.505 -0.846 -1.970 1.00 11.25 C ATOM 177 C GLY A 14 -5.042 -0.452 -1.758 1.00 23.24 C ATOM 178 O GLY A 14 -4.143 -1.276 -1.919 1.00 61.40 O ATOM 0 H GLY A 14 -8.147 -0.144 -0.873 1.00 60.12 H new ATOM 0 HA2 GLY A 14 -6.563 -1.887 -2.286 1.00 11.25 H new ATOM 0 HA3 GLY A 14 -6.935 -0.245 -2.771 1.00 11.25 H new ATOM 182 N SER A 15 -4.849 0.809 -1.398 1.00 12.23 N ATOM 183 CA SER A 15 -3.510 1.322 -1.162 1.00 10.55 C ATOM 184 C SER A 15 -3.015 0.881 0.217 1.00 64.23 C ATOM 185 O SER A 15 -1.984 0.219 0.328 1.00 23.54 O ATOM 186 CB SER A 15 -3.477 2.849 -1.274 1.00 63.13 C ATOM 187 OG SER A 15 -2.202 3.326 -1.693 1.00 74.24 O ATOM 0 H SER A 15 -5.597 1.490 -1.264 1.00 12.23 H new ATOM 0 HA SER A 15 -2.849 0.914 -1.926 1.00 10.55 H new ATOM 0 HB2 SER A 15 -4.238 3.177 -1.983 1.00 63.13 H new ATOM 0 HB3 SER A 15 -3.729 3.289 -0.309 1.00 63.13 H new ATOM 0 HG SER A 15 -2.222 4.304 -1.754 1.00 74.24 H new ATOM 193 N LYS A 16 -3.775 1.264 1.233 1.00 13.04 N ATOM 194 CA LYS A 16 -3.427 0.916 2.600 1.00 71.54 C ATOM 195 C LYS A 16 -3.052 -0.567 2.664 1.00 11.14 C ATOM 196 O LYS A 16 -1.925 -0.910 3.018 1.00 2.24 O ATOM 197 CB LYS A 16 -4.555 1.307 3.556 1.00 61.55 C ATOM 198 CG LYS A 16 -4.898 2.791 3.422 1.00 22.25 C ATOM 199 CD LYS A 16 -5.519 3.330 4.713 1.00 41.14 C ATOM 200 CE LYS A 16 -5.079 4.772 4.972 1.00 45.40 C ATOM 201 NZ LYS A 16 -5.378 5.161 6.369 1.00 1.11 N ATOM 0 H LYS A 16 -4.630 1.812 1.137 1.00 13.04 H new ATOM 0 HA LYS A 16 -2.554 1.481 2.927 1.00 71.54 H new ATOM 0 HB2 LYS A 16 -5.439 0.705 3.346 1.00 61.55 H new ATOM 0 HB3 LYS A 16 -4.258 1.090 4.582 1.00 61.55 H new ATOM 0 HG2 LYS A 16 -3.997 3.356 3.184 1.00 22.25 H new ATOM 0 HG3 LYS A 16 -5.592 2.934 2.593 1.00 22.25 H new ATOM 0 HD2 LYS A 16 -6.606 3.284 4.645 1.00 41.14 H new ATOM 0 HD3 LYS A 16 -5.226 2.700 5.553 1.00 41.14 H new ATOM 0 HE2 LYS A 16 -4.011 4.873 4.781 1.00 45.40 H new ATOM 0 HE3 LYS A 16 -5.591 5.444 4.283 1.00 45.40 H new ATOM 0 HZ1 LYS A 16 -5.073 6.142 6.529 1.00 1.11 H new ATOM 0 HZ2 LYS A 16 -6.401 5.084 6.539 1.00 1.11 H new ATOM 0 HZ3 LYS A 16 -4.870 4.530 7.021 1.00 1.11 H new ATOM 214 N LYS A 17 -4.017 -1.404 2.316 1.00 5.23 N ATOM 215 CA LYS A 17 -3.802 -2.841 2.330 1.00 11.22 C ATOM 216 C LYS A 17 -3.575 -3.332 0.899 1.00 31.54 C ATOM 217 O LYS A 17 -4.473 -3.910 0.288 1.00 40.14 O ATOM 218 CB LYS A 17 -4.953 -3.549 3.048 1.00 3.23 C ATOM 219 CG LYS A 17 -5.336 -2.809 4.331 1.00 2.24 C ATOM 220 CD LYS A 17 -4.193 -2.846 5.348 1.00 62.44 C ATOM 221 CE LYS A 17 -4.546 -3.746 6.535 1.00 30.20 C ATOM 222 NZ LYS A 17 -5.107 -5.031 6.062 1.00 2.01 N ATOM 0 H LYS A 17 -4.950 -1.115 2.022 1.00 5.23 H new ATOM 0 HA LYS A 17 -2.905 -3.086 2.898 1.00 11.22 H new ATOM 0 HB2 LYS A 17 -5.817 -3.609 2.386 1.00 3.23 H new ATOM 0 HB3 LYS A 17 -4.663 -4.572 3.287 1.00 3.23 H new ATOM 0 HG2 LYS A 17 -5.586 -1.774 4.097 1.00 2.24 H new ATOM 0 HG3 LYS A 17 -6.228 -3.262 4.764 1.00 2.24 H new ATOM 0 HD2 LYS A 17 -3.285 -3.211 4.867 1.00 62.44 H new ATOM 0 HD3 LYS A 17 -3.983 -1.837 5.702 1.00 62.44 H new ATOM 0 HE2 LYS A 17 -3.656 -3.930 7.136 1.00 30.20 H new ATOM 0 HE3 LYS A 17 -5.267 -3.243 7.179 1.00 30.20 H new ATOM 0 HZ1 LYS A 17 -4.981 -5.756 6.797 1.00 2.01 H new ATOM 0 HZ2 LYS A 17 -6.121 -4.914 5.861 1.00 2.01 H new ATOM 0 HZ3 LYS A 17 -4.614 -5.327 5.195 1.00 2.01 H new HETATM 235 C1 ACA A 18 0.714 -2.786 -5.406 1.00 31.23 C HETATM 236 O1 ACA A 18 -0.451 -2.994 -5.736 1.00 25.53 O HETATM 237 C2 ACA A 18 0.549 -2.257 -4.033 1.00 55.40 C HETATM 238 C3 ACA A 18 1.042 -3.277 -3.005 1.00 3.53 C HETATM 239 C4 ACA A 18 -0.116 -4.126 -2.477 1.00 4.24 C HETATM 240 C5 ACA A 18 -0.505 -3.702 -1.059 1.00 44.55 C HETATM 241 C6 ACA A 18 -2.016 -3.493 -0.943 1.00 73.31 C HETATM 242 N6 ACA A 18 -2.371 -3.084 0.405 1.00 24.33 N HETATM 0 HN61 ACA A 18 -1.645 -2.976 1.113 1.00 24.33 H new HETATM 0 H62 ACA A 18 -2.340 -2.735 -1.656 1.00 73.31 H new HETATM 0 H61 ACA A 18 -2.537 -4.415 -1.199 1.00 73.31 H new HETATM 0 H52 ACA A 18 -0.184 -4.463 -0.347 1.00 44.55 H new HETATM 0 H51 ACA A 18 0.014 -2.780 -0.796 1.00 44.55 H new HETATM 0 H42 ACA A 18 -0.976 -4.026 -3.139 1.00 4.24 H new HETATM 0 H41 ACA A 18 0.169 -5.178 -2.481 1.00 4.24 H new HETATM 0 H32 ACA A 18 1.793 -3.923 -3.459 1.00 3.53 H new HETATM 0 H31 ACA A 18 1.525 -2.759 -2.177 1.00 3.53 H new HETATM 0 H22 ACA A 18 1.105 -1.326 -3.926 1.00 55.40 H new HETATM 0 H21 ACA A 18 -0.500 -2.025 -3.850 1.00 55.40 H new ATOM 254 N LYS A 19 1.578 -2.072 -6.112 1.00 13.43 N ATOM 255 CA LYS A 19 1.192 -1.462 -7.373 1.00 24.53 C ATOM 256 C LYS A 19 1.784 -2.271 -8.529 1.00 15.34 C ATOM 257 O LYS A 19 2.173 -3.423 -8.349 1.00 44.12 O ATOM 258 CB LYS A 19 1.579 0.017 -7.395 1.00 22.14 C ATOM 259 CG LYS A 19 1.350 0.665 -6.027 1.00 34.22 C ATOM 260 CD LYS A 19 1.669 2.161 -6.069 1.00 40.33 C ATOM 261 CE LYS A 19 0.965 2.839 -7.245 1.00 13.01 C ATOM 262 NZ LYS A 19 0.578 4.223 -6.889 1.00 73.42 N ATOM 0 HA LYS A 19 0.109 -1.484 -7.490 1.00 24.53 H new ATOM 0 HB2 LYS A 19 2.627 0.118 -7.678 1.00 22.14 H new ATOM 0 HB3 LYS A 19 0.992 0.539 -8.151 1.00 22.14 H new ATOM 0 HG2 LYS A 19 0.314 0.519 -5.720 1.00 34.22 H new ATOM 0 HG3 LYS A 19 1.976 0.177 -5.280 1.00 34.22 H new ATOM 0 HD2 LYS A 19 1.358 2.629 -5.135 1.00 40.33 H new ATOM 0 HD3 LYS A 19 2.746 2.304 -6.154 1.00 40.33 H new ATOM 0 HE2 LYS A 19 1.624 2.851 -8.113 1.00 13.01 H new ATOM 0 HE3 LYS A 19 0.080 2.268 -7.525 1.00 13.01 H new ATOM 0 HZ1 LYS A 19 0.101 4.669 -7.698 1.00 73.42 H new ATOM 0 HZ2 LYS A 19 -0.068 4.204 -6.074 1.00 73.42 H new ATOM 0 HZ3 LYS A 19 1.428 4.769 -6.644 1.00 73.42 H new ATOM 275 N ASN A 20 1.835 -1.634 -9.690 1.00 0.13 N ATOM 276 CA ASN A 20 2.375 -2.279 -10.874 1.00 64.45 C ATOM 277 C ASN A 20 2.132 -1.386 -12.092 1.00 21.12 C ATOM 278 O ASN A 20 1.323 -0.459 -12.036 1.00 54.53 O ATOM 279 CB ASN A 20 1.689 -3.623 -11.130 1.00 25.24 C ATOM 280 CG ASN A 20 2.672 -4.783 -10.955 1.00 33.34 C ATOM 281 OD1 ASN A 20 2.688 -5.470 -9.949 1.00 2.42 O ATOM 282 ND2 ASN A 20 3.488 -4.959 -11.990 1.00 52.25 N ATOM 0 H ASN A 20 1.511 -0.678 -9.835 1.00 0.13 H new ATOM 0 HA ASN A 20 3.441 -2.442 -10.713 1.00 64.45 H new ATOM 0 HB2 ASN A 20 0.852 -3.745 -10.443 1.00 25.24 H new ATOM 0 HB3 ASN A 20 1.278 -3.639 -12.139 1.00 25.24 H new ATOM 0 HD21 ASN A 20 4.181 -5.707 -11.971 1.00 52.25 H new ATOM 0 HD22 ASN A 20 3.420 -4.346 -12.803 1.00 52.25 H new ATOM 289 N GLU A 21 2.845 -1.695 -13.165 1.00 23.12 N ATOM 290 CA GLU A 21 2.717 -0.931 -14.394 1.00 32.41 C ATOM 291 C GLU A 21 1.343 -1.167 -15.025 1.00 54.41 C ATOM 292 O GLU A 21 0.689 -0.224 -15.468 1.00 13.25 O ATOM 293 CB GLU A 21 3.838 -1.279 -15.375 1.00 53.23 C ATOM 294 CG GLU A 21 4.006 -0.182 -16.428 1.00 74.53 C ATOM 295 CD GLU A 21 5.368 0.502 -16.295 1.00 74.23 C ATOM 296 OE1 GLU A 21 6.007 0.814 -17.312 1.00 42.12 O ATOM 297 OE2 GLU A 21 5.758 0.709 -15.084 1.00 52.14 O ATOM 0 H GLU A 21 3.513 -2.464 -13.209 1.00 23.12 H new ATOM 0 HA GLU A 21 2.807 0.128 -14.152 1.00 32.41 H new ATOM 0 HB2 GLU A 21 4.773 -1.412 -14.831 1.00 53.23 H new ATOM 0 HB3 GLU A 21 3.616 -2.227 -15.865 1.00 53.23 H new ATOM 0 HG2 GLU A 21 3.907 -0.612 -17.425 1.00 74.53 H new ATOM 0 HG3 GLU A 21 3.212 0.557 -16.319 1.00 74.53 H new ATOM 305 N GLN A 22 0.947 -2.430 -15.046 1.00 65.23 N ATOM 306 CA GLN A 22 -0.338 -2.803 -15.615 1.00 31.22 C ATOM 307 C GLN A 22 -1.469 -2.049 -14.913 1.00 14.42 C ATOM 308 O GLN A 22 -2.433 -1.632 -15.552 1.00 15.11 O ATOM 309 CB GLN A 22 -0.555 -4.315 -15.537 1.00 43.02 C ATOM 310 CG GLN A 22 -1.360 -4.816 -16.737 1.00 25.30 C ATOM 311 CD GLN A 22 -2.797 -5.154 -16.332 1.00 5.32 C ATOM 312 OE1 GLN A 22 -3.135 -6.289 -16.036 1.00 4.04 O ATOM 313 NE2 GLN A 22 -3.620 -4.108 -16.333 1.00 42.35 N ATOM 0 H GLN A 22 1.493 -3.209 -14.678 1.00 65.23 H new ATOM 0 HA GLN A 22 -0.341 -2.523 -16.669 1.00 31.22 H new ATOM 0 HB2 GLN A 22 0.409 -4.823 -15.504 1.00 43.02 H new ATOM 0 HB3 GLN A 22 -1.079 -4.564 -14.614 1.00 43.02 H new ATOM 0 HG2 GLN A 22 -1.368 -4.055 -17.517 1.00 25.30 H new ATOM 0 HG3 GLN A 22 -0.880 -5.699 -17.158 1.00 25.30 H new ATOM 0 HE21 GLN A 22 -3.271 -3.185 -16.591 1.00 42.35 H new ATOM 0 HE22 GLN A 22 -4.599 -4.229 -16.075 1.00 42.35 H new ATOM 322 N GLU A 23 -1.312 -1.897 -13.606 1.00 11.23 N ATOM 323 CA GLU A 23 -2.308 -1.200 -12.809 1.00 40.13 C ATOM 324 C GLU A 23 -2.486 0.233 -13.316 1.00 50.44 C ATOM 325 O GLU A 23 -3.580 0.790 -13.241 1.00 51.25 O ATOM 326 CB GLU A 23 -1.932 -1.215 -11.327 1.00 1.53 C ATOM 327 CG GLU A 23 -2.337 -2.536 -10.671 1.00 50.31 C ATOM 328 CD GLU A 23 -3.680 -2.401 -9.950 1.00 42.25 C ATOM 329 OE1 GLU A 23 -3.859 -2.967 -8.861 1.00 31.12 O ATOM 330 OE2 GLU A 23 -4.556 -1.677 -10.561 1.00 1.53 O ATOM 0 H GLU A 23 -0.511 -2.244 -13.079 1.00 11.23 H new ATOM 0 HA GLU A 23 -3.259 -1.722 -12.914 1.00 40.13 H new ATOM 0 HB2 GLU A 23 -0.858 -1.066 -11.219 1.00 1.53 H new ATOM 0 HB3 GLU A 23 -2.421 -0.386 -10.816 1.00 1.53 H new ATOM 0 HG2 GLU A 23 -2.404 -3.317 -11.429 1.00 50.31 H new ATOM 0 HG3 GLU A 23 -1.569 -2.845 -9.962 1.00 50.31 H new ATOM 338 N LEU A 24 -1.394 0.788 -13.820 1.00 1.04 N ATOM 339 CA LEU A 24 -1.415 2.145 -14.339 1.00 11.25 C ATOM 340 C LEU A 24 -2.158 2.163 -15.677 1.00 13.13 C ATOM 341 O LEU A 24 -2.956 3.062 -15.935 1.00 21.43 O ATOM 342 CB LEU A 24 0.004 2.712 -14.415 1.00 5.32 C ATOM 343 CG LEU A 24 0.211 4.086 -13.776 1.00 0.44 C ATOM 344 CD1 LEU A 24 0.817 3.955 -12.377 1.00 30.33 C ATOM 345 CD2 LEU A 24 1.051 4.991 -14.681 1.00 0.33 C ATOM 0 H LEU A 24 -0.488 0.322 -13.880 1.00 1.04 H new ATOM 0 HA LEU A 24 -1.960 2.803 -13.663 1.00 11.25 H new ATOM 0 HB2 LEU A 24 0.683 2.005 -13.938 1.00 5.32 H new ATOM 0 HB3 LEU A 24 0.294 2.773 -15.464 1.00 5.32 H new ATOM 0 HG LEU A 24 -0.764 4.559 -13.662 1.00 0.44 H new ATOM 0 HD11 LEU A 24 0.954 4.947 -11.945 1.00 30.33 H new ATOM 0 HD12 LEU A 24 0.148 3.373 -11.744 1.00 30.33 H new ATOM 0 HD13 LEU A 24 1.782 3.452 -12.444 1.00 30.33 H new ATOM 0 HD21 LEU A 24 1.183 5.962 -14.203 1.00 0.33 H new ATOM 0 HD22 LEU A 24 2.026 4.533 -14.849 1.00 0.33 H new ATOM 0 HD23 LEU A 24 0.543 5.123 -15.636 1.00 0.33 H new ATOM 357 N LEU A 25 -1.867 1.160 -16.492 1.00 40.42 N ATOM 358 CA LEU A 25 -2.497 1.049 -17.796 1.00 13.42 C ATOM 359 C LEU A 25 -4.002 0.840 -17.616 1.00 50.35 C ATOM 360 O LEU A 25 -4.795 1.241 -18.465 1.00 11.14 O ATOM 361 CB LEU A 25 -1.820 -0.042 -18.628 1.00 41.41 C ATOM 362 CG LEU A 25 -2.604 -0.547 -19.840 1.00 21.14 C ATOM 363 CD1 LEU A 25 -1.688 -0.714 -21.054 1.00 20.32 C ATOM 364 CD2 LEU A 25 -3.358 -1.836 -19.508 1.00 34.41 C ATOM 0 H LEU A 25 -1.203 0.417 -16.274 1.00 40.42 H new ATOM 0 HA LEU A 25 -2.369 1.973 -18.360 1.00 13.42 H new ATOM 0 HB2 LEU A 25 -0.859 0.338 -18.975 1.00 41.41 H new ATOM 0 HB3 LEU A 25 -1.611 -0.891 -17.976 1.00 41.41 H new ATOM 0 HG LEU A 25 -3.351 0.203 -20.101 1.00 21.14 H new ATOM 0 HD11 LEU A 25 -2.270 -1.074 -21.902 1.00 20.32 H new ATOM 0 HD12 LEU A 25 -1.237 0.246 -21.305 1.00 20.32 H new ATOM 0 HD13 LEU A 25 -0.903 -1.433 -20.821 1.00 20.32 H new ATOM 0 HD21 LEU A 25 -3.907 -2.173 -20.387 1.00 34.41 H new ATOM 0 HD22 LEU A 25 -2.648 -2.606 -19.207 1.00 34.41 H new ATOM 0 HD23 LEU A 25 -4.057 -1.649 -18.693 1.00 34.41 H new ATOM 376 N GLU A 26 -4.350 0.209 -16.503 1.00 14.14 N ATOM 377 CA GLU A 26 -5.745 -0.058 -16.200 1.00 44.31 C ATOM 378 C GLU A 26 -6.536 1.250 -16.136 1.00 55.41 C ATOM 379 O GLU A 26 -7.670 1.316 -16.605 1.00 24.15 O ATOM 380 CB GLU A 26 -5.881 -0.845 -14.894 1.00 10.32 C ATOM 381 CG GLU A 26 -7.117 -0.398 -14.111 1.00 70.42 C ATOM 382 CD GLU A 26 -7.480 -1.419 -13.031 1.00 22.33 C ATOM 383 OE1 GLU A 26 -7.573 -1.063 -11.847 1.00 33.31 O ATOM 384 OE2 GLU A 26 -7.671 -2.621 -13.459 1.00 73.13 O ATOM 0 H GLU A 26 -3.689 -0.125 -15.801 1.00 14.14 H new ATOM 0 HA GLU A 26 -6.159 -0.670 -17.001 1.00 44.31 H new ATOM 0 HB2 GLU A 26 -5.950 -1.911 -15.113 1.00 10.32 H new ATOM 0 HB3 GLU A 26 -4.989 -0.702 -14.285 1.00 10.32 H new ATOM 0 HG2 GLU A 26 -6.929 0.572 -13.651 1.00 70.42 H new ATOM 0 HG3 GLU A 26 -7.958 -0.270 -14.793 1.00 70.42 H new ATOM 392 N LEU A 27 -5.904 2.258 -15.553 1.00 43.41 N ATOM 393 CA LEU A 27 -6.533 3.560 -15.422 1.00 21.34 C ATOM 394 C LEU A 27 -6.759 4.155 -16.814 1.00 32.34 C ATOM 395 O LEU A 27 -7.727 4.881 -17.033 1.00 24.43 O ATOM 396 CB LEU A 27 -5.715 4.461 -14.495 1.00 64.01 C ATOM 397 CG LEU A 27 -6.502 5.519 -13.719 1.00 22.52 C ATOM 398 CD1 LEU A 27 -7.094 6.566 -14.666 1.00 51.43 C ATOM 399 CD2 LEU A 27 -7.575 4.869 -12.841 1.00 32.13 C ATOM 0 H LEU A 27 -4.962 2.199 -15.166 1.00 43.41 H new ATOM 0 HA LEU A 27 -7.512 3.463 -14.952 1.00 21.34 H new ATOM 0 HB2 LEU A 27 -5.190 3.830 -13.778 1.00 64.01 H new ATOM 0 HB3 LEU A 27 -4.955 4.967 -15.091 1.00 64.01 H new ATOM 0 HG LEU A 27 -5.812 6.039 -13.054 1.00 22.52 H new ATOM 0 HD11 LEU A 27 -7.648 7.306 -14.089 1.00 51.43 H new ATOM 0 HD12 LEU A 27 -6.290 7.059 -15.212 1.00 51.43 H new ATOM 0 HD13 LEU A 27 -7.766 6.079 -15.372 1.00 51.43 H new ATOM 0 HD21 LEU A 27 -8.120 5.642 -12.300 1.00 32.13 H new ATOM 0 HD22 LEU A 27 -8.268 4.308 -13.468 1.00 32.13 H new ATOM 0 HD23 LEU A 27 -7.102 4.193 -12.129 1.00 32.13 H new ATOM 411 N ASP A 28 -5.849 3.825 -17.719 1.00 64.43 N ATOM 412 CA ASP A 28 -5.937 4.316 -19.083 1.00 21.35 C ATOM 413 C ASP A 28 -7.294 3.927 -19.674 1.00 40.23 C ATOM 414 O ASP A 28 -7.965 4.751 -20.294 1.00 14.11 O ATOM 415 CB ASP A 28 -4.845 3.704 -19.961 1.00 45.04 C ATOM 416 CG ASP A 28 -4.325 4.613 -21.075 1.00 61.43 C ATOM 417 OD1 ASP A 28 -3.330 5.332 -20.901 1.00 43.32 O ATOM 418 OD2 ASP A 28 -4.995 4.564 -22.177 1.00 61.00 O ATOM 0 H ASP A 28 -5.047 3.223 -17.534 1.00 64.43 H new ATOM 0 HA ASP A 28 -5.815 5.399 -19.060 1.00 21.35 H new ATOM 0 HB2 ASP A 28 -4.007 3.418 -19.325 1.00 45.04 H new ATOM 0 HB3 ASP A 28 -5.231 2.789 -20.410 1.00 45.04 H new ATOM 424 N LYS A 29 -7.658 2.671 -19.462 1.00 50.12 N ATOM 425 CA LYS A 29 -8.922 2.162 -19.967 1.00 43.33 C ATOM 426 C LYS A 29 -10.065 2.718 -19.116 1.00 63.20 C ATOM 427 O LYS A 29 -11.171 2.922 -19.615 1.00 22.21 O ATOM 428 CB LYS A 29 -8.894 0.634 -20.036 1.00 64.10 C ATOM 429 CG LYS A 29 -10.306 0.054 -19.916 1.00 54.40 C ATOM 430 CD LYS A 29 -10.310 -1.445 -20.219 1.00 75.24 C ATOM 431 CE LYS A 29 -10.698 -1.709 -21.676 1.00 51.34 C ATOM 432 NZ LYS A 29 -10.300 -3.077 -22.079 1.00 65.33 N ATOM 0 H LYS A 29 -7.099 1.990 -18.947 1.00 50.12 H new ATOM 0 HA LYS A 29 -9.090 2.501 -20.989 1.00 43.33 H new ATOM 0 HB2 LYS A 29 -8.445 0.317 -20.977 1.00 64.10 H new ATOM 0 HB3 LYS A 29 -8.266 0.242 -19.236 1.00 64.10 H new ATOM 0 HG2 LYS A 29 -10.690 0.226 -18.910 1.00 54.40 H new ATOM 0 HG3 LYS A 29 -10.975 0.570 -20.605 1.00 54.40 H new ATOM 0 HD2 LYS A 29 -9.323 -1.862 -20.020 1.00 75.24 H new ATOM 0 HD3 LYS A 29 -11.010 -1.952 -19.555 1.00 75.24 H new ATOM 0 HE2 LYS A 29 -11.774 -1.586 -21.800 1.00 51.34 H new ATOM 0 HE3 LYS A 29 -10.216 -0.978 -22.325 1.00 51.34 H new ATOM 0 HZ1 LYS A 29 -10.571 -3.240 -23.070 1.00 65.33 H new ATOM 0 HZ2 LYS A 29 -9.270 -3.182 -21.979 1.00 65.33 H new ATOM 0 HZ3 LYS A 29 -10.779 -3.771 -21.471 1.00 65.33 H new ATOM 445 N TRP A 30 -9.761 2.948 -17.848 1.00 14.41 N ATOM 446 CA TRP A 30 -10.750 3.476 -16.924 1.00 12.25 C ATOM 447 C TRP A 30 -11.242 4.817 -17.474 1.00 40.34 C ATOM 448 O TRP A 30 -12.389 5.199 -17.253 1.00 62.23 O ATOM 449 CB TRP A 30 -10.176 3.585 -15.509 1.00 35.40 C ATOM 450 CG TRP A 30 -11.238 3.716 -14.416 1.00 41.55 C ATOM 451 CD1 TRP A 30 -11.633 2.786 -13.534 1.00 52.32 C ATOM 452 CD2 TRP A 30 -12.031 4.885 -14.122 1.00 43.22 C ATOM 453 NE1 TRP A 30 -12.617 3.270 -12.696 1.00 71.25 N ATOM 454 CE2 TRP A 30 -12.866 4.586 -13.065 1.00 23.40 C ATOM 455 CE3 TRP A 30 -12.041 6.153 -14.728 1.00 42.43 C ATOM 456 CZ2 TRP A 30 -13.774 5.504 -12.523 1.00 5.31 C ATOM 457 CZ3 TRP A 30 -12.954 7.059 -14.175 1.00 44.53 C ATOM 458 CH2 TRP A 30 -13.802 6.774 -13.111 1.00 21.22 C ATOM 0 H TRP A 30 -8.843 2.778 -17.438 1.00 14.41 H new ATOM 0 HA TRP A 30 -11.601 2.800 -16.842 1.00 12.25 H new ATOM 0 HB2 TRP A 30 -9.567 2.704 -15.306 1.00 35.40 H new ATOM 0 HB3 TRP A 30 -9.513 4.449 -15.462 1.00 35.40 H new ATOM 0 HD1 TRP A 30 -11.232 1.785 -13.486 1.00 52.32 H new ATOM 0 HE1 TRP A 30 -13.077 2.756 -11.944 1.00 71.25 H new ATOM 0 HE3 TRP A 30 -11.395 6.408 -15.555 1.00 42.43 H new ATOM 0 HZ2 TRP A 30 -14.418 5.246 -11.696 1.00 5.31 H new ATOM 0 HZ3 TRP A 30 -13.003 8.048 -14.605 1.00 44.53 H new ATOM 0 HH2 TRP A 30 -14.479 7.529 -12.740 1.00 21.22 H new ATOM 469 N ALA A 31 -10.349 5.494 -18.180 1.00 14.31 N ATOM 470 CA ALA A 31 -10.677 6.783 -18.763 1.00 34.11 C ATOM 471 C ALA A 31 -11.928 6.641 -19.632 1.00 61.33 C ATOM 472 O ALA A 31 -12.684 7.597 -19.799 1.00 62.33 O ATOM 473 CB ALA A 31 -9.476 7.308 -19.553 1.00 62.41 C ATOM 0 H ALA A 31 -9.398 5.174 -18.362 1.00 14.31 H new ATOM 0 HA ALA A 31 -10.897 7.511 -17.983 1.00 34.11 H new ATOM 0 HB1 ALA A 31 -9.723 8.275 -19.990 1.00 62.41 H new ATOM 0 HB2 ALA A 31 -8.622 7.419 -18.885 1.00 62.41 H new ATOM 0 HB3 ALA A 31 -9.227 6.604 -20.347 1.00 62.41 H new ATOM 479 N SER A 32 -12.108 5.440 -20.163 1.00 23.34 N ATOM 480 CA SER A 32 -13.255 5.160 -21.010 1.00 30.04 C ATOM 481 C SER A 32 -14.550 5.462 -20.254 1.00 62.51 C ATOM 482 O SER A 32 -15.543 5.872 -20.855 1.00 2.11 O ATOM 483 CB SER A 32 -13.246 3.707 -21.487 1.00 75.22 C ATOM 484 OG SER A 32 -12.207 3.463 -22.433 1.00 71.50 O ATOM 0 H SER A 32 -11.478 4.650 -20.023 1.00 23.34 H new ATOM 0 HA SER A 32 -13.196 5.803 -21.888 1.00 30.04 H new ATOM 0 HB2 SER A 32 -13.120 3.045 -20.631 1.00 75.22 H new ATOM 0 HB3 SER A 32 -14.210 3.467 -21.936 1.00 75.22 H new ATOM 0 HG SER A 32 -11.396 3.179 -21.962 1.00 71.50 H new ATOM 490 N LEU A 33 -14.499 5.248 -18.948 1.00 4.24 N ATOM 491 CA LEU A 33 -15.656 5.492 -18.103 1.00 32.51 C ATOM 492 C LEU A 33 -16.161 6.917 -18.337 1.00 11.44 C ATOM 493 O LEU A 33 -17.316 7.226 -18.047 1.00 43.13 O ATOM 494 CB LEU A 33 -15.326 5.188 -16.640 1.00 33.15 C ATOM 495 CG LEU A 33 -16.428 4.503 -15.832 1.00 31.42 C ATOM 496 CD1 LEU A 33 -15.914 3.217 -15.183 1.00 4.22 C ATOM 497 CD2 LEU A 33 -17.032 5.462 -14.804 1.00 50.30 C ATOM 0 H LEU A 33 -13.674 4.908 -18.454 1.00 4.24 H new ATOM 0 HA LEU A 33 -16.470 4.817 -18.368 1.00 32.51 H new ATOM 0 HB2 LEU A 33 -14.437 4.557 -16.612 1.00 33.15 H new ATOM 0 HB3 LEU A 33 -15.068 6.124 -16.144 1.00 33.15 H new ATOM 0 HG LEU A 33 -17.227 4.220 -16.517 1.00 31.42 H new ATOM 0 HD11 LEU A 33 -16.718 2.750 -14.614 1.00 4.22 H new ATOM 0 HD12 LEU A 33 -15.571 2.531 -15.957 1.00 4.22 H new ATOM 0 HD13 LEU A 33 -15.086 3.453 -14.514 1.00 4.22 H new ATOM 0 HD21 LEU A 33 -17.813 4.949 -14.243 1.00 50.30 H new ATOM 0 HD22 LEU A 33 -16.254 5.798 -14.118 1.00 50.30 H new ATOM 0 HD23 LEU A 33 -17.460 6.323 -15.317 1.00 50.30 H new ATOM 509 N TRP A 34 -15.270 7.748 -18.858 1.00 22.43 N ATOM 510 CA TRP A 34 -15.612 9.134 -19.133 1.00 13.21 C ATOM 511 C TRP A 34 -16.031 9.235 -20.601 1.00 64.12 C ATOM 512 O TRP A 34 -15.862 10.279 -21.229 1.00 0.20 O ATOM 513 CB TRP A 34 -14.450 10.065 -18.778 1.00 22.42 C ATOM 514 CG TRP A 34 -14.346 10.389 -17.286 1.00 71.34 C ATOM 515 CD1 TRP A 34 -13.788 9.649 -16.319 1.00 71.43 C ATOM 516 CD2 TRP A 34 -14.837 11.575 -16.628 1.00 25.00 C ATOM 517 NE1 TRP A 34 -13.884 10.268 -15.090 1.00 42.11 N ATOM 518 CE2 TRP A 34 -14.542 11.476 -15.283 1.00 2.04 C ATOM 519 CE3 TRP A 34 -15.509 12.694 -17.151 1.00 43.02 C ATOM 520 CZ2 TRP A 34 -14.881 12.463 -14.350 1.00 3.04 C ATOM 521 CZ3 TRP A 34 -15.841 13.671 -16.204 1.00 35.22 C ATOM 522 CH2 TRP A 34 -15.551 13.588 -14.848 1.00 65.24 C ATOM 0 H TRP A 34 -14.313 7.489 -19.097 1.00 22.43 H new ATOM 0 HA TRP A 34 -16.446 9.457 -18.510 1.00 13.21 H new ATOM 0 HB2 TRP A 34 -13.517 9.606 -19.106 1.00 22.42 H new ATOM 0 HB3 TRP A 34 -14.560 10.996 -19.335 1.00 22.42 H new ATOM 0 HD1 TRP A 34 -13.322 8.688 -16.481 1.00 71.43 H new ATOM 0 HE1 TRP A 34 -13.536 9.905 -14.203 1.00 42.11 H new ATOM 0 HE3 TRP A 34 -15.750 12.792 -18.199 1.00 43.02 H new ATOM 0 HZ2 TRP A 34 -14.639 12.363 -13.302 1.00 3.04 H new ATOM 0 HZ3 TRP A 34 -16.360 14.552 -16.553 1.00 35.22 H new ATOM 0 HH2 TRP A 34 -15.841 14.387 -14.181 1.00 65.24 H new ATOM 533 N ASN A 35 -16.571 8.135 -21.106 1.00 53.54 N ATOM 534 CA ASN A 35 -17.015 8.086 -22.488 1.00 62.21 C ATOM 535 C ASN A 35 -17.920 9.288 -22.771 1.00 41.13 C ATOM 536 O ASN A 35 -18.721 9.679 -21.924 1.00 14.23 O ATOM 537 CB ASN A 35 -17.820 6.815 -22.764 1.00 43.44 C ATOM 538 CG ASN A 35 -17.130 5.948 -23.820 1.00 64.33 C ATOM 539 OD1 ASN A 35 -17.702 5.593 -24.838 1.00 32.31 O ATOM 540 ND2 ASN A 35 -15.875 5.627 -23.521 1.00 63.33 N ATOM 0 H ASN A 35 -16.711 7.271 -20.582 1.00 53.54 H new ATOM 0 HA ASN A 35 -16.131 8.099 -23.126 1.00 62.21 H new ATOM 0 HB2 ASN A 35 -17.937 6.247 -21.841 1.00 43.44 H new ATOM 0 HB3 ASN A 35 -18.821 7.081 -23.104 1.00 43.44 H new ATOM 0 HD21 ASN A 35 -15.330 5.050 -24.161 1.00 63.33 H new ATOM 0 HD22 ASN A 35 -15.457 5.958 -22.651 1.00 63.33 H new TER 547 ASN A 35