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+ 133:sc= 0.0394 (180deg=0) USER MOD Single : A 15 SER OG : rot -34:sc= 1.02 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 157:sc= -0.0646 (180deg=-0.477) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.18) USER MOD Single : A 22 GLN : amide:sc= -2.35 K(o=-2.4,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -0.163 (180deg=-0.878) USER MOD Single : A 32 SER OG : rot -67:sc= 1.08 USER MOD Single : A 35 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.033 -7.086 -5.798 1.00 50.43 N ATOM 2 CA GLY A 1 -24.345 -6.103 -4.979 1.00 0.21 C ATOM 3 C GLY A 1 -23.500 -6.782 -3.899 1.00 30.21 C ATOM 4 O GLY A 1 -23.856 -7.853 -3.410 1.00 40.32 O ATOM 0 H1 GLY A 1 -26.030 -6.811 -5.906 1.00 50.43 H new ATOM 0 H2 GLY A 1 -24.584 -7.133 -6.735 1.00 50.43 H new ATOM 0 H3 GLY A 1 -24.978 -8.018 -5.341 1.00 50.43 H new ATOM 0 HA2 GLY A 1 -23.707 -5.483 -5.608 1.00 0.21 H new ATOM 0 HA3 GLY A 1 -25.073 -5.440 -4.512 1.00 0.21 H new ATOM 8 N ILE A 2 -22.398 -6.130 -3.559 1.00 15.20 N ATOM 9 CA ILE A 2 -21.500 -6.658 -2.546 1.00 11.41 C ATOM 10 C ILE A 2 -21.515 -5.735 -1.326 1.00 72.12 C ATOM 11 O ILE A 2 -22.086 -6.079 -0.292 1.00 71.15 O ATOM 12 CB ILE A 2 -20.102 -6.879 -3.131 1.00 21.41 C ATOM 13 CG1 ILE A 2 -20.177 -7.648 -4.452 1.00 32.11 C ATOM 14 CG2 ILE A 2 -19.186 -7.568 -2.119 1.00 62.41 C ATOM 15 CD1 ILE A 2 -18.867 -7.526 -5.233 1.00 45.54 C ATOM 0 H ILE A 2 -22.107 -5.242 -3.967 1.00 15.20 H new ATOM 0 HA ILE A 2 -21.840 -7.638 -2.210 1.00 11.41 H new ATOM 0 HB ILE A 2 -19.665 -5.904 -3.349 1.00 21.41 H new ATOM 0 HG12 ILE A 2 -20.390 -8.698 -4.254 1.00 32.11 H new ATOM 0 HG13 ILE A 2 -21.001 -7.264 -5.054 1.00 32.11 H new ATOM 0 HG21 ILE A 2 -18.200 -7.713 -2.560 1.00 62.41 H new ATOM 0 HG22 ILE A 2 -19.097 -6.947 -1.227 1.00 62.41 H new ATOM 0 HG23 ILE A 2 -19.607 -8.536 -1.847 1.00 62.41 H new ATOM 0 HD11 ILE A 2 -18.947 -8.082 -6.167 1.00 45.54 H new ATOM 0 HD12 ILE A 2 -18.670 -6.476 -5.451 1.00 45.54 H new ATOM 0 HD13 ILE A 2 -18.049 -7.933 -4.638 1.00 45.54 H new ATOM 27 N GLY A 3 -20.883 -4.583 -1.486 1.00 14.13 N ATOM 28 CA GLY A 3 -20.818 -3.608 -0.411 1.00 12.32 C ATOM 29 C GLY A 3 -20.977 -2.185 -0.950 1.00 22.32 C ATOM 30 O GLY A 3 -20.251 -1.775 -1.854 1.00 44.40 O ATOM 0 H GLY A 3 -20.410 -4.302 -2.345 1.00 14.13 H new ATOM 0 HA2 GLY A 3 -21.601 -3.814 0.319 1.00 12.32 H new ATOM 0 HA3 GLY A 3 -19.865 -3.699 0.110 1.00 12.32 H new ATOM 34 N ALA A 4 -21.932 -1.472 -0.372 1.00 23.04 N ATOM 35 CA ALA A 4 -22.196 -0.103 -0.783 1.00 24.34 C ATOM 36 C ALA A 4 -20.939 0.742 -0.566 1.00 71.12 C ATOM 37 O ALA A 4 -20.329 1.211 -1.526 1.00 65.01 O ATOM 38 CB ALA A 4 -23.402 0.438 -0.012 1.00 2.42 C ATOM 0 H ALA A 4 -22.532 -1.816 0.377 1.00 23.04 H new ATOM 0 HA ALA A 4 -22.442 -0.062 -1.844 1.00 24.34 H new ATOM 0 HB1 ALA A 4 -23.600 1.465 -0.320 1.00 2.42 H new ATOM 0 HB2 ALA A 4 -24.275 -0.179 -0.223 1.00 2.42 H new ATOM 0 HB3 ALA A 4 -23.191 0.414 1.057 1.00 2.42 H new ATOM 44 N PHE A 5 -20.588 0.909 0.701 1.00 22.12 N ATOM 45 CA PHE A 5 -19.415 1.689 1.056 1.00 42.01 C ATOM 46 C PHE A 5 -18.132 0.901 0.788 1.00 11.41 C ATOM 47 O PHE A 5 -17.033 1.393 1.039 1.00 1.30 O ATOM 48 CB PHE A 5 -19.513 1.988 2.553 1.00 42.21 C ATOM 49 CG PHE A 5 -19.063 0.832 3.449 1.00 72.34 C ATOM 50 CD1 PHE A 5 -18.506 1.089 4.663 1.00 2.24 C ATOM 51 CD2 PHE A 5 -19.220 -0.453 3.032 1.00 15.12 C ATOM 52 CE1 PHE A 5 -18.088 0.016 5.495 1.00 30.43 C ATOM 53 CE2 PHE A 5 -18.803 -1.526 3.863 1.00 3.51 C ATOM 54 CZ PHE A 5 -18.246 -1.268 5.077 1.00 53.01 C ATOM 0 H PHE A 5 -21.096 0.517 1.494 1.00 22.12 H new ATOM 0 HA PHE A 5 -19.380 2.601 0.461 1.00 42.01 H new ATOM 0 HB2 PHE A 5 -18.907 2.866 2.778 1.00 42.21 H new ATOM 0 HB3 PHE A 5 -20.545 2.242 2.796 1.00 42.21 H new ATOM 0 HD1 PHE A 5 -18.381 2.109 4.995 1.00 2.24 H new ATOM 0 HD2 PHE A 5 -19.662 -0.657 2.068 1.00 15.12 H new ATOM 0 HE1 PHE A 5 -17.645 0.220 6.459 1.00 30.43 H new ATOM 0 HE2 PHE A 5 -18.928 -2.546 3.532 1.00 3.51 H new ATOM 0 HZ PHE A 5 -17.929 -2.084 5.709 1.00 53.01 H new ATOM 64 N GLY A 6 -18.313 -0.310 0.281 1.00 32.34 N ATOM 65 CA GLY A 6 -17.183 -1.171 -0.024 1.00 4.34 C ATOM 66 C GLY A 6 -16.588 -0.831 -1.392 1.00 32.12 C ATOM 67 O GLY A 6 -15.468 -1.233 -1.702 1.00 32.54 O ATOM 0 H GLY A 6 -19.226 -0.715 0.074 1.00 32.34 H new ATOM 0 HA2 GLY A 6 -16.419 -1.061 0.746 1.00 4.34 H new ATOM 0 HA3 GLY A 6 -17.501 -2.213 -0.011 1.00 4.34 H new ATOM 71 N LEU A 7 -17.364 -0.093 -2.173 1.00 64.51 N ATOM 72 CA LEU A 7 -16.928 0.305 -3.499 1.00 11.23 C ATOM 73 C LEU A 7 -16.327 1.711 -3.434 1.00 45.12 C ATOM 74 O LEU A 7 -15.422 2.041 -4.199 1.00 33.41 O ATOM 75 CB LEU A 7 -18.076 0.173 -4.504 1.00 43.52 C ATOM 76 CG LEU A 7 -18.776 1.475 -4.895 1.00 33.55 C ATOM 77 CD1 LEU A 7 -18.211 2.030 -6.204 1.00 31.54 C ATOM 78 CD2 LEU A 7 -20.293 1.282 -4.962 1.00 0.23 C ATOM 0 H LEU A 7 -18.292 0.239 -1.912 1.00 64.51 H new ATOM 0 HA LEU A 7 -16.143 -0.362 -3.857 1.00 11.23 H new ATOM 0 HB2 LEU A 7 -17.688 -0.294 -5.409 1.00 43.52 H new ATOM 0 HB3 LEU A 7 -18.820 -0.506 -4.088 1.00 43.52 H new ATOM 0 HG LEU A 7 -18.579 2.215 -4.120 1.00 33.55 H new ATOM 0 HD11 LEU A 7 -18.726 2.956 -6.459 1.00 31.54 H new ATOM 0 HD12 LEU A 7 -17.146 2.228 -6.085 1.00 31.54 H new ATOM 0 HD13 LEU A 7 -18.358 1.302 -7.001 1.00 31.54 H new ATOM 0 HD21 LEU A 7 -20.767 2.223 -5.242 1.00 0.23 H new ATOM 0 HD22 LEU A 7 -20.530 0.521 -5.705 1.00 0.23 H new ATOM 0 HD23 LEU A 7 -20.663 0.965 -3.987 1.00 0.23 H new ATOM 90 N LEU A 8 -16.856 2.503 -2.512 1.00 51.21 N ATOM 91 CA LEU A 8 -16.383 3.866 -2.336 1.00 61.25 C ATOM 92 C LEU A 8 -15.005 3.842 -1.673 1.00 41.34 C ATOM 93 O LEU A 8 -14.346 4.875 -1.563 1.00 51.33 O ATOM 94 CB LEU A 8 -17.418 4.697 -1.574 1.00 14.43 C ATOM 95 CG LEU A 8 -18.152 5.763 -2.389 1.00 63.22 C ATOM 96 CD1 LEU A 8 -17.227 6.937 -2.716 1.00 23.02 C ATOM 97 CD2 LEU A 8 -18.776 5.158 -3.648 1.00 61.51 C ATOM 0 H LEU A 8 -17.607 2.227 -1.879 1.00 51.21 H new ATOM 0 HA LEU A 8 -16.263 4.356 -3.302 1.00 61.25 H new ATOM 0 HB2 LEU A 8 -18.158 4.019 -1.149 1.00 14.43 H new ATOM 0 HB3 LEU A 8 -16.918 5.187 -0.738 1.00 14.43 H new ATOM 0 HG LEU A 8 -18.968 6.155 -1.782 1.00 63.22 H new ATOM 0 HD11 LEU A 8 -17.774 7.680 -3.296 1.00 23.02 H new ATOM 0 HD12 LEU A 8 -16.871 7.389 -1.790 1.00 23.02 H new ATOM 0 HD13 LEU A 8 -16.376 6.579 -3.295 1.00 23.02 H new ATOM 0 HD21 LEU A 8 -19.292 5.937 -4.209 1.00 61.51 H new ATOM 0 HD22 LEU A 8 -17.993 4.722 -4.268 1.00 61.51 H new ATOM 0 HD23 LEU A 8 -19.488 4.383 -3.365 1.00 61.51 H new ATOM 109 N GLY A 9 -14.609 2.650 -1.247 1.00 42.41 N ATOM 110 CA GLY A 9 -13.320 2.478 -0.598 1.00 63.43 C ATOM 111 C GLY A 9 -12.679 1.148 -0.997 1.00 44.22 C ATOM 112 O GLY A 9 -11.961 0.538 -0.205 1.00 32.41 O ATOM 0 H GLY A 9 -15.158 1.795 -1.339 1.00 42.41 H new ATOM 0 HA2 GLY A 9 -12.659 3.301 -0.871 1.00 63.43 H new ATOM 0 HA3 GLY A 9 -13.446 2.515 0.484 1.00 63.43 H new ATOM 116 N PHE A 10 -12.960 0.736 -2.225 1.00 3.41 N ATOM 117 CA PHE A 10 -12.419 -0.510 -2.738 1.00 74.34 C ATOM 118 C PHE A 10 -10.898 -0.428 -2.885 1.00 73.51 C ATOM 119 O PHE A 10 -10.188 -1.378 -2.560 1.00 52.43 O ATOM 120 CB PHE A 10 -13.042 -0.733 -4.118 1.00 51.02 C ATOM 121 CG PHE A 10 -12.683 -2.078 -4.753 1.00 65.15 C ATOM 122 CD1 PHE A 10 -13.072 -3.237 -4.156 1.00 44.24 C ATOM 123 CD2 PHE A 10 -11.977 -2.115 -5.914 1.00 11.43 C ATOM 124 CE1 PHE A 10 -12.738 -4.485 -4.744 1.00 35.31 C ATOM 125 CE2 PHE A 10 -11.643 -3.363 -6.503 1.00 60.11 C ATOM 126 CZ PHE A 10 -12.032 -4.522 -5.906 1.00 50.20 C ATOM 0 H PHE A 10 -13.556 1.244 -2.879 1.00 3.41 H new ATOM 0 HA PHE A 10 -12.647 -1.326 -2.052 1.00 74.34 H new ATOM 0 HB2 PHE A 10 -14.126 -0.662 -4.032 1.00 51.02 H new ATOM 0 HB3 PHE A 10 -12.722 0.068 -4.784 1.00 51.02 H new ATOM 0 HD1 PHE A 10 -13.635 -3.207 -3.235 1.00 44.24 H new ATOM 0 HD2 PHE A 10 -11.670 -1.195 -6.389 1.00 11.43 H new ATOM 0 HE1 PHE A 10 -13.044 -5.405 -4.269 1.00 35.31 H new ATOM 0 HE2 PHE A 10 -11.080 -3.392 -7.424 1.00 60.11 H new ATOM 0 HZ PHE A 10 -11.780 -5.472 -6.355 1.00 50.20 H new ATOM 136 N LEU A 11 -10.443 0.715 -3.377 1.00 64.43 N ATOM 137 CA LEU A 11 -9.021 0.933 -3.572 1.00 44.24 C ATOM 138 C LEU A 11 -8.366 1.233 -2.221 1.00 52.51 C ATOM 139 O LEU A 11 -7.295 0.710 -1.916 1.00 33.04 O ATOM 140 CB LEU A 11 -8.783 2.016 -4.625 1.00 20.05 C ATOM 141 CG LEU A 11 -9.411 1.765 -5.998 1.00 4.44 C ATOM 142 CD1 LEU A 11 -9.291 0.293 -6.394 1.00 73.44 C ATOM 143 CD2 LEU A 11 -10.860 2.254 -6.036 1.00 50.22 C ATOM 0 H LEU A 11 -11.035 1.500 -3.646 1.00 64.43 H new ATOM 0 HA LEU A 11 -8.548 0.033 -3.964 1.00 44.24 H new ATOM 0 HB2 LEU A 11 -9.166 2.961 -4.239 1.00 20.05 H new ATOM 0 HB3 LEU A 11 -7.708 2.138 -4.756 1.00 20.05 H new ATOM 0 HG LEU A 11 -8.858 2.343 -6.738 1.00 4.44 H new ATOM 0 HD11 LEU A 11 -9.745 0.142 -7.373 1.00 73.44 H new ATOM 0 HD12 LEU A 11 -8.239 0.012 -6.434 1.00 73.44 H new ATOM 0 HD13 LEU A 11 -9.804 -0.325 -5.657 1.00 73.44 H new ATOM 0 HD21 LEU A 11 -11.282 2.064 -7.023 1.00 50.22 H new ATOM 0 HD22 LEU A 11 -11.443 1.723 -5.283 1.00 50.22 H new ATOM 0 HD23 LEU A 11 -10.888 3.324 -5.829 1.00 50.22 H new ATOM 155 N ALA A 12 -9.036 2.076 -1.450 1.00 64.41 N ATOM 156 CA ALA A 12 -8.533 2.453 -0.139 1.00 71.12 C ATOM 157 C ALA A 12 -8.303 1.192 0.696 1.00 61.34 C ATOM 158 O ALA A 12 -7.432 1.168 1.565 1.00 70.20 O ATOM 159 CB ALA A 12 -9.513 3.421 0.525 1.00 21.21 C ATOM 0 H ALA A 12 -9.923 2.509 -1.707 1.00 64.41 H new ATOM 0 HA ALA A 12 -7.577 2.968 -0.229 1.00 71.12 H new ATOM 0 HB1 ALA A 12 -9.136 3.704 1.508 1.00 21.21 H new ATOM 0 HB2 ALA A 12 -9.619 4.313 -0.093 1.00 21.21 H new ATOM 0 HB3 ALA A 12 -10.484 2.938 0.634 1.00 21.21 H new ATOM 165 N ALA A 13 -9.100 0.174 0.404 1.00 70.13 N ATOM 166 CA ALA A 13 -8.994 -1.088 1.118 1.00 1.11 C ATOM 167 C ALA A 13 -7.565 -1.620 0.994 1.00 11.12 C ATOM 168 O ALA A 13 -6.990 -2.097 1.972 1.00 10.24 O ATOM 169 CB ALA A 13 -10.032 -2.071 0.573 1.00 73.43 C ATOM 0 H ALA A 13 -9.821 0.197 -0.317 1.00 70.13 H new ATOM 0 HA ALA A 13 -9.203 -0.948 2.179 1.00 1.11 H new ATOM 0 HB1 ALA A 13 -9.953 -3.017 1.108 1.00 73.43 H new ATOM 0 HB2 ALA A 13 -11.031 -1.658 0.711 1.00 73.43 H new ATOM 0 HB3 ALA A 13 -9.852 -2.238 -0.489 1.00 73.43 H new ATOM 175 N GLY A 14 -7.033 -1.522 -0.215 1.00 32.45 N ATOM 176 CA GLY A 14 -5.682 -1.987 -0.479 1.00 31.30 C ATOM 177 C GLY A 14 -4.653 -1.134 0.265 1.00 55.12 C ATOM 178 O GLY A 14 -3.604 -1.633 0.669 1.00 10.03 O ATOM 0 H GLY A 14 -7.513 -1.127 -1.023 1.00 32.45 H new ATOM 0 HA2 GLY A 14 -5.586 -3.029 -0.173 1.00 31.30 H new ATOM 0 HA3 GLY A 14 -5.484 -1.950 -1.550 1.00 31.30 H new ATOM 182 N SER A 15 -4.990 0.138 0.422 1.00 10.44 N ATOM 183 CA SER A 15 -4.107 1.065 1.109 1.00 3.42 C ATOM 184 C SER A 15 -4.255 0.903 2.623 1.00 43.33 C ATOM 185 O SER A 15 -3.635 1.636 3.393 1.00 75.12 O ATOM 186 CB SER A 15 -4.399 2.510 0.699 1.00 22.01 C ATOM 187 OG SER A 15 -3.627 3.444 1.448 1.00 51.50 O ATOM 0 H SER A 15 -5.861 0.548 0.086 1.00 10.44 H new ATOM 0 HA SER A 15 -3.080 0.835 0.824 1.00 3.42 H new ATOM 0 HB2 SER A 15 -4.189 2.635 -0.363 1.00 22.01 H new ATOM 0 HB3 SER A 15 -5.459 2.720 0.841 1.00 22.01 H new ATOM 0 HG SER A 15 -3.503 3.109 2.361 1.00 51.50 H new ATOM 193 N LYS A 16 -5.079 -0.062 3.006 1.00 10.43 N ATOM 194 CA LYS A 16 -5.315 -0.329 4.414 1.00 31.51 C ATOM 195 C LYS A 16 -3.990 -0.680 5.092 1.00 34.11 C ATOM 196 O LYS A 16 -3.680 -0.164 6.164 1.00 21.12 O ATOM 197 CB LYS A 16 -6.395 -1.401 4.581 1.00 4.12 C ATOM 198 CG LYS A 16 -7.762 -0.875 4.142 1.00 65.33 C ATOM 199 CD LYS A 16 -8.450 -0.118 5.281 1.00 23.43 C ATOM 200 CE LYS A 16 -9.236 -1.075 6.179 1.00 62.51 C ATOM 201 NZ LYS A 16 -10.616 -0.579 6.383 1.00 35.12 N ATOM 0 H LYS A 16 -5.591 -0.668 2.365 1.00 10.43 H new ATOM 0 HA LYS A 16 -5.701 0.561 4.911 1.00 31.51 H new ATOM 0 HB2 LYS A 16 -6.134 -2.280 3.992 1.00 4.12 H new ATOM 0 HB3 LYS A 16 -6.441 -1.717 5.623 1.00 4.12 H new ATOM 0 HG2 LYS A 16 -7.643 -0.216 3.282 1.00 65.33 H new ATOM 0 HG3 LYS A 16 -8.390 -1.706 3.822 1.00 65.33 H new ATOM 0 HD2 LYS A 16 -7.704 0.412 5.873 1.00 23.43 H new ATOM 0 HD3 LYS A 16 -9.122 0.634 4.869 1.00 23.43 H new ATOM 0 HE2 LYS A 16 -9.263 -2.067 5.728 1.00 62.51 H new ATOM 0 HE3 LYS A 16 -8.734 -1.176 7.141 1.00 62.51 H new ATOM 0 HZ1 LYS A 16 -11.136 -1.240 6.995 1.00 35.12 H new ATOM 0 HZ2 LYS A 16 -10.585 0.358 6.833 1.00 35.12 H new ATOM 0 HZ3 LYS A 16 -11.098 -0.506 5.464 1.00 35.12 H new ATOM 214 N LYS A 17 -3.241 -1.558 4.438 1.00 21.43 N ATOM 215 CA LYS A 17 -1.956 -1.984 4.964 1.00 62.45 C ATOM 216 C LYS A 17 -0.837 -1.382 4.113 1.00 13.43 C ATOM 217 O LYS A 17 0.013 -0.652 4.624 1.00 75.32 O ATOM 218 CB LYS A 17 -1.899 -3.509 5.067 1.00 12.43 C ATOM 219 CG LYS A 17 -2.992 -4.038 5.995 1.00 64.54 C ATOM 220 CD LYS A 17 -3.205 -5.540 5.794 1.00 73.53 C ATOM 221 CE LYS A 17 -4.530 -5.994 6.409 1.00 10.01 C ATOM 222 NZ LYS A 17 -5.672 -5.425 5.658 1.00 75.52 N ATOM 0 H LYS A 17 -3.501 -1.985 3.549 1.00 21.43 H new ATOM 0 HA LYS A 17 -1.818 -1.614 5.980 1.00 62.45 H new ATOM 0 HB2 LYS A 17 -2.015 -3.948 4.076 1.00 12.43 H new ATOM 0 HB3 LYS A 17 -0.921 -3.815 5.439 1.00 12.43 H new ATOM 0 HG2 LYS A 17 -2.720 -3.842 7.032 1.00 64.54 H new ATOM 0 HG3 LYS A 17 -3.924 -3.506 5.804 1.00 64.54 H new ATOM 0 HD2 LYS A 17 -3.196 -5.773 4.729 1.00 73.53 H new ATOM 0 HD3 LYS A 17 -2.382 -6.091 6.248 1.00 73.53 H new ATOM 0 HE2 LYS A 17 -4.588 -7.082 6.401 1.00 10.01 H new ATOM 0 HE3 LYS A 17 -4.580 -5.680 7.452 1.00 10.01 H new ATOM 0 HZ1 LYS A 17 -6.516 -6.014 5.811 1.00 75.52 H new ATOM 0 HZ2 LYS A 17 -5.860 -4.458 5.992 1.00 75.52 H new ATOM 0 HZ3 LYS A 17 -5.444 -5.403 4.644 1.00 75.52 H new HETATM 235 C1 ACA A 18 1.865 -5.129 -2.393 1.00 65.23 C HETATM 236 O1 ACA A 18 2.673 -5.612 -1.600 1.00 23.34 O HETATM 237 C2 ACA A 18 0.971 -4.371 -1.488 1.00 0.13 C HETATM 238 C3 ACA A 18 1.546 -2.980 -1.209 1.00 55.34 C HETATM 239 C4 ACA A 18 0.560 -2.131 -0.406 1.00 65.05 C HETATM 240 C5 ACA A 18 0.736 -2.361 1.098 1.00 12.35 C HETATM 241 C6 ACA A 18 0.131 -1.210 1.903 1.00 62.01 C HETATM 242 N6 ACA A 18 -0.870 -1.709 2.830 1.00 34.30 N HETATM 0 HN61 ACA A 18 -1.076 -2.707 2.870 1.00 34.30 H new HETATM 0 H62 ACA A 18 0.916 -0.690 2.452 1.00 62.01 H new HETATM 0 H61 ACA A 18 -0.320 -0.484 1.227 1.00 62.01 H new HETATM 0 H52 ACA A 18 0.260 -3.299 1.384 1.00 12.35 H new HETATM 0 H51 ACA A 18 1.796 -2.456 1.333 1.00 12.35 H new HETATM 0 H42 ACA A 18 0.711 -1.076 -0.636 1.00 65.05 H new HETATM 0 H41 ACA A 18 -0.461 -2.378 -0.698 1.00 65.05 H new HETATM 0 H32 ACA A 18 2.483 -3.073 -0.660 1.00 55.34 H new HETATM 0 H31 ACA A 18 1.777 -2.482 -2.151 1.00 55.34 H new HETATM 0 H22 ACA A 18 -0.018 -4.279 -1.937 1.00 0.13 H new HETATM 0 H21 ACA A 18 0.846 -4.914 -0.551 1.00 0.13 H new ATOM 254 N LYS A 19 1.185 -5.828 -3.290 1.00 13.10 N ATOM 255 CA LYS A 19 1.356 -7.266 -3.404 1.00 70.50 C ATOM 256 C LYS A 19 2.812 -7.578 -3.750 1.00 43.44 C ATOM 257 O LYS A 19 3.687 -7.508 -2.889 1.00 41.45 O ATOM 258 CB LYS A 19 0.349 -7.848 -4.399 1.00 41.40 C ATOM 259 CG LYS A 19 -1.080 -7.737 -3.863 1.00 41.10 C ATOM 260 CD LYS A 19 -1.731 -9.116 -3.748 1.00 31.51 C ATOM 261 CE LYS A 19 -1.981 -9.721 -5.132 1.00 1.12 C ATOM 262 NZ LYS A 19 -2.969 -10.819 -5.046 1.00 12.02 N ATOM 0 HA LYS A 19 1.145 -7.751 -2.451 1.00 70.50 H new ATOM 0 HB2 LYS A 19 0.426 -7.321 -5.350 1.00 41.40 H new ATOM 0 HB3 LYS A 19 0.588 -8.894 -4.594 1.00 41.40 H new ATOM 0 HG2 LYS A 19 -1.069 -7.253 -2.886 1.00 41.10 H new ATOM 0 HG3 LYS A 19 -1.672 -7.105 -4.525 1.00 41.10 H new ATOM 0 HD2 LYS A 19 -1.088 -9.778 -3.168 1.00 31.51 H new ATOM 0 HD3 LYS A 19 -2.674 -9.033 -3.207 1.00 31.51 H new ATOM 0 HE2 LYS A 19 -2.343 -8.950 -5.812 1.00 1.12 H new ATOM 0 HE3 LYS A 19 -1.045 -10.097 -5.546 1.00 1.12 H new ATOM 0 HZ1 LYS A 19 -3.127 -11.219 -5.993 1.00 12.02 H new ATOM 0 HZ2 LYS A 19 -2.609 -11.561 -4.413 1.00 12.02 H new ATOM 0 HZ3 LYS A 19 -3.866 -10.450 -4.672 1.00 12.02 H new ATOM 275 N ASN A 20 3.029 -7.915 -5.013 1.00 43.11 N ATOM 276 CA ASN A 20 4.365 -8.238 -5.483 1.00 24.24 C ATOM 277 C ASN A 20 5.186 -6.952 -5.596 1.00 45.21 C ATOM 278 O ASN A 20 4.629 -5.855 -5.610 1.00 31.05 O ATOM 279 CB ASN A 20 4.319 -8.891 -6.866 1.00 51.12 C ATOM 280 CG ASN A 20 3.138 -9.857 -6.977 1.00 52.31 C ATOM 281 OD1 ASN A 20 2.997 -10.796 -6.212 1.00 61.24 O ATOM 282 ND2 ASN A 20 2.301 -9.576 -7.971 1.00 74.01 N ATOM 0 H ASN A 20 2.301 -7.971 -5.726 1.00 43.11 H new ATOM 0 HA ASN A 20 4.815 -8.930 -4.771 1.00 24.24 H new ATOM 0 HB2 ASN A 20 4.237 -8.121 -7.633 1.00 51.12 H new ATOM 0 HB3 ASN A 20 5.250 -9.427 -7.050 1.00 51.12 H new ATOM 0 HD21 ASN A 20 1.482 -10.163 -8.129 1.00 74.01 H new ATOM 0 HD22 ASN A 20 2.478 -8.774 -8.575 1.00 74.01 H new ATOM 289 N GLU A 21 6.497 -7.129 -5.670 1.00 20.22 N ATOM 290 CA GLU A 21 7.400 -5.996 -5.780 1.00 1.31 C ATOM 291 C GLU A 21 7.191 -5.277 -7.115 1.00 62.13 C ATOM 292 O GLU A 21 7.502 -4.095 -7.243 1.00 0.33 O ATOM 293 CB GLU A 21 8.856 -6.437 -5.617 1.00 23.45 C ATOM 294 CG GLU A 21 9.302 -7.301 -6.799 1.00 51.22 C ATOM 295 CD GLU A 21 9.798 -8.668 -6.321 1.00 21.11 C ATOM 296 OE1 GLU A 21 10.468 -8.756 -5.281 1.00 31.54 O ATOM 297 OE2 GLU A 21 9.464 -9.662 -7.072 1.00 61.40 O ATOM 0 H GLU A 21 6.955 -8.040 -5.656 1.00 20.22 H new ATOM 0 HA GLU A 21 7.174 -5.297 -4.974 1.00 1.31 H new ATOM 0 HB2 GLU A 21 9.499 -5.560 -5.540 1.00 23.45 H new ATOM 0 HB3 GLU A 21 8.968 -6.998 -4.689 1.00 23.45 H new ATOM 0 HG2 GLU A 21 8.471 -7.433 -7.492 1.00 51.22 H new ATOM 0 HG3 GLU A 21 10.096 -6.793 -7.347 1.00 51.22 H new ATOM 305 N GLN A 22 6.664 -6.023 -8.076 1.00 63.53 N ATOM 306 CA GLN A 22 6.409 -5.472 -9.396 1.00 13.20 C ATOM 307 C GLN A 22 5.782 -4.082 -9.279 1.00 31.23 C ATOM 308 O GLN A 22 6.151 -3.166 -10.013 1.00 40.15 O ATOM 309 CB GLN A 22 5.521 -6.407 -10.218 1.00 72.35 C ATOM 310 CG GLN A 22 6.102 -6.628 -11.616 1.00 13.11 C ATOM 311 CD GLN A 22 6.653 -5.323 -12.193 1.00 3.33 C ATOM 312 OE1 GLN A 22 7.813 -5.213 -12.553 1.00 45.32 O ATOM 313 NE2 GLN A 22 5.757 -4.342 -12.261 1.00 2.12 N ATOM 0 H GLN A 22 6.407 -7.004 -7.966 1.00 63.53 H new ATOM 0 HA GLN A 22 7.361 -5.377 -9.918 1.00 13.20 H new ATOM 0 HB2 GLN A 22 5.423 -7.364 -9.706 1.00 72.35 H new ATOM 0 HB3 GLN A 22 4.519 -5.985 -10.299 1.00 72.35 H new ATOM 0 HG2 GLN A 22 6.896 -7.373 -11.570 1.00 13.11 H new ATOM 0 HG3 GLN A 22 5.330 -7.024 -12.276 1.00 13.11 H new ATOM 0 HE21 GLN A 22 4.801 -4.501 -11.942 1.00 2.12 H new ATOM 0 HE22 GLN A 22 6.026 -3.431 -12.632 1.00 2.12 H new ATOM 322 N GLU A 23 4.842 -3.968 -8.351 1.00 2.53 N ATOM 323 CA GLU A 23 4.160 -2.705 -8.129 1.00 44.12 C ATOM 324 C GLU A 23 5.152 -1.642 -7.651 1.00 12.21 C ATOM 325 O GLU A 23 5.092 -0.492 -8.084 1.00 75.31 O ATOM 326 CB GLU A 23 3.012 -2.869 -7.132 1.00 74.44 C ATOM 327 CG GLU A 23 1.883 -1.879 -7.425 1.00 33.22 C ATOM 328 CD GLU A 23 1.082 -2.310 -8.656 1.00 1.44 C ATOM 329 OE1 GLU A 23 1.367 -1.851 -9.773 1.00 52.13 O ATOM 330 OE2 GLU A 23 0.134 -3.152 -8.423 1.00 23.01 O ATOM 0 H GLU A 23 4.537 -4.730 -7.745 1.00 2.53 H new ATOM 0 HA GLU A 23 3.732 -2.376 -9.076 1.00 44.12 H new ATOM 0 HB2 GLU A 23 2.628 -3.888 -7.179 1.00 74.44 H new ATOM 0 HB3 GLU A 23 3.382 -2.714 -6.118 1.00 74.44 H new ATOM 0 HG2 GLU A 23 1.221 -1.811 -6.562 1.00 33.22 H new ATOM 0 HG3 GLU A 23 2.299 -0.885 -7.587 1.00 33.22 H new ATOM 338 N LEU A 24 6.041 -2.064 -6.764 1.00 55.21 N ATOM 339 CA LEU A 24 7.045 -1.163 -6.223 1.00 13.20 C ATOM 340 C LEU A 24 7.849 -0.552 -7.373 1.00 21.41 C ATOM 341 O LEU A 24 8.209 0.623 -7.327 1.00 31.51 O ATOM 342 CB LEU A 24 7.907 -1.884 -5.185 1.00 64.03 C ATOM 343 CG LEU A 24 7.530 -1.649 -3.720 1.00 35.21 C ATOM 344 CD1 LEU A 24 7.576 -0.160 -3.375 1.00 10.44 C ATOM 345 CD2 LEU A 24 6.170 -2.271 -3.398 1.00 34.23 C ATOM 0 H LEU A 24 6.087 -3.018 -6.406 1.00 55.21 H new ATOM 0 HA LEU A 24 6.570 -0.338 -5.692 1.00 13.20 H new ATOM 0 HB2 LEU A 24 7.861 -2.955 -5.384 1.00 64.03 H new ATOM 0 HB3 LEU A 24 8.943 -1.578 -5.326 1.00 64.03 H new ATOM 0 HG LEU A 24 8.268 -2.148 -3.092 1.00 35.21 H new ATOM 0 HD11 LEU A 24 7.304 -0.020 -2.329 1.00 10.44 H new ATOM 0 HD12 LEU A 24 8.583 0.221 -3.542 1.00 10.44 H new ATOM 0 HD13 LEU A 24 6.873 0.382 -4.008 1.00 10.44 H new ATOM 0 HD21 LEU A 24 5.926 -2.090 -2.351 1.00 34.23 H new ATOM 0 HD22 LEU A 24 5.405 -1.822 -4.032 1.00 34.23 H new ATOM 0 HD23 LEU A 24 6.209 -3.345 -3.581 1.00 34.23 H new ATOM 357 N LEU A 25 8.105 -1.378 -8.377 1.00 1.22 N ATOM 358 CA LEU A 25 8.860 -0.932 -9.537 1.00 74.15 C ATOM 359 C LEU A 25 7.962 -0.067 -10.422 1.00 53.24 C ATOM 360 O LEU A 25 8.450 0.798 -11.148 1.00 63.40 O ATOM 361 CB LEU A 25 9.475 -2.129 -10.267 1.00 62.13 C ATOM 362 CG LEU A 25 10.510 -2.935 -9.480 1.00 71.03 C ATOM 363 CD1 LEU A 25 11.046 -2.130 -8.293 1.00 32.33 C ATOM 364 CD2 LEU A 25 9.938 -4.286 -9.044 1.00 34.33 C ATOM 0 H LEU A 25 7.804 -2.352 -8.412 1.00 1.22 H new ATOM 0 HA LEU A 25 9.700 -0.309 -9.230 1.00 74.15 H new ATOM 0 HB2 LEU A 25 8.670 -2.801 -10.564 1.00 62.13 H new ATOM 0 HB3 LEU A 25 9.944 -1.769 -11.183 1.00 62.13 H new ATOM 0 HG LEU A 25 11.354 -3.140 -10.138 1.00 71.03 H new ATOM 0 HD11 LEU A 25 11.780 -2.726 -7.751 1.00 32.33 H new ATOM 0 HD12 LEU A 25 11.517 -1.217 -8.656 1.00 32.33 H new ATOM 0 HD13 LEU A 25 10.223 -1.873 -7.626 1.00 32.33 H new ATOM 0 HD21 LEU A 25 10.694 -4.839 -8.487 1.00 34.33 H new ATOM 0 HD22 LEU A 25 9.066 -4.124 -8.410 1.00 34.33 H new ATOM 0 HD23 LEU A 25 9.646 -4.859 -9.924 1.00 34.33 H new ATOM 376 N GLU A 26 6.667 -0.331 -10.334 1.00 22.51 N ATOM 377 CA GLU A 26 5.696 0.414 -11.118 1.00 53.43 C ATOM 378 C GLU A 26 5.733 1.896 -10.741 1.00 52.24 C ATOM 379 O GLU A 26 5.626 2.764 -11.606 1.00 72.44 O ATOM 380 CB GLU A 26 4.290 -0.162 -10.941 1.00 61.21 C ATOM 381 CG GLU A 26 3.355 0.324 -12.050 1.00 23.42 C ATOM 382 CD GLU A 26 2.386 1.384 -11.524 1.00 23.32 C ATOM 383 OE1 GLU A 26 1.412 1.047 -10.834 1.00 61.40 O ATOM 384 OE2 GLU A 26 2.674 2.598 -11.854 1.00 70.43 O ATOM 0 H GLU A 26 6.267 -1.051 -9.732 1.00 22.51 H new ATOM 0 HA GLU A 26 5.961 0.321 -12.171 1.00 53.43 H new ATOM 0 HB2 GLU A 26 4.335 -1.251 -10.950 1.00 61.21 H new ATOM 0 HB3 GLU A 26 3.892 0.132 -9.970 1.00 61.21 H new ATOM 0 HG2 GLU A 26 3.942 0.738 -12.870 1.00 23.42 H new ATOM 0 HG3 GLU A 26 2.794 -0.519 -12.453 1.00 23.42 H new ATOM 392 N LEU A 27 5.885 2.141 -9.447 1.00 14.34 N ATOM 393 CA LEU A 27 5.938 3.503 -8.944 1.00 12.43 C ATOM 394 C LEU A 27 7.324 4.090 -9.219 1.00 23.31 C ATOM 395 O LEU A 27 7.470 5.303 -9.366 1.00 45.11 O ATOM 396 CB LEU A 27 5.533 3.546 -7.470 1.00 63.32 C ATOM 397 CG LEU A 27 4.074 3.201 -7.164 1.00 55.40 C ATOM 398 CD1 LEU A 27 3.277 4.455 -6.804 1.00 2.11 C ATOM 399 CD2 LEU A 27 3.438 2.432 -8.325 1.00 41.11 C ATOM 0 H LEU A 27 5.973 1.419 -8.732 1.00 14.34 H new ATOM 0 HA LEU A 27 5.216 4.131 -9.467 1.00 12.43 H new ATOM 0 HB2 LEU A 27 6.172 2.857 -6.918 1.00 63.32 H new ATOM 0 HB3 LEU A 27 5.737 4.546 -7.087 1.00 63.32 H new ATOM 0 HG LEU A 27 4.054 2.546 -6.293 1.00 55.40 H new ATOM 0 HD11 LEU A 27 2.244 4.181 -6.591 1.00 2.11 H new ATOM 0 HD12 LEU A 27 3.716 4.925 -5.924 1.00 2.11 H new ATOM 0 HD13 LEU A 27 3.302 5.154 -7.640 1.00 2.11 H new ATOM 0 HD21 LEU A 27 2.401 2.199 -8.082 1.00 41.11 H new ATOM 0 HD22 LEU A 27 3.471 3.043 -9.227 1.00 41.11 H new ATOM 0 HD23 LEU A 27 3.988 1.506 -8.493 1.00 41.11 H new ATOM 411 N ASP A 28 8.307 3.203 -9.281 1.00 24.54 N ATOM 412 CA ASP A 28 9.675 3.618 -9.535 1.00 42.33 C ATOM 413 C ASP A 28 9.759 4.264 -10.919 1.00 11.13 C ATOM 414 O ASP A 28 10.692 5.013 -11.203 1.00 33.41 O ATOM 415 CB ASP A 28 10.626 2.420 -9.513 1.00 1.43 C ATOM 416 CG ASP A 28 12.080 2.743 -9.863 1.00 2.32 C ATOM 417 OD1 ASP A 28 12.863 1.853 -10.226 1.00 53.23 O ATOM 418 OD2 ASP A 28 12.405 3.987 -9.750 1.00 42.32 O ATOM 0 H ASP A 28 8.182 2.198 -9.159 1.00 24.54 H new ATOM 0 HA ASP A 28 9.964 4.323 -8.755 1.00 42.33 H new ATOM 0 HB2 ASP A 28 10.598 1.971 -8.520 1.00 1.43 H new ATOM 0 HB3 ASP A 28 10.258 1.670 -10.213 1.00 1.43 H new ATOM 424 N LYS A 29 8.771 3.950 -11.744 1.00 21.10 N ATOM 425 CA LYS A 29 8.721 4.490 -13.092 1.00 30.41 C ATOM 426 C LYS A 29 8.208 5.931 -13.042 1.00 45.55 C ATOM 427 O LYS A 29 8.099 6.591 -14.073 1.00 3.34 O ATOM 428 CB LYS A 29 7.900 3.577 -14.005 1.00 15.21 C ATOM 429 CG LYS A 29 8.801 2.582 -14.740 1.00 44.11 C ATOM 430 CD LYS A 29 9.414 1.574 -13.766 1.00 22.00 C ATOM 431 CE LYS A 29 8.665 0.241 -13.813 1.00 32.11 C ATOM 432 NZ LYS A 29 8.769 -0.364 -15.160 1.00 73.10 N ATOM 0 H LYS A 29 7.999 3.328 -11.505 1.00 21.10 H new ATOM 0 HA LYS A 29 9.720 4.522 -13.526 1.00 30.41 H new ATOM 0 HB2 LYS A 29 7.161 3.036 -13.414 1.00 15.21 H new ATOM 0 HB3 LYS A 29 7.351 4.179 -14.729 1.00 15.21 H new ATOM 0 HG2 LYS A 29 8.223 2.055 -15.499 1.00 44.11 H new ATOM 0 HG3 LYS A 29 9.594 3.119 -15.260 1.00 44.11 H new ATOM 0 HD2 LYS A 29 10.463 1.415 -14.015 1.00 22.00 H new ATOM 0 HD3 LYS A 29 9.384 1.977 -12.754 1.00 22.00 H new ATOM 0 HE2 LYS A 29 9.077 -0.441 -13.069 1.00 32.11 H new ATOM 0 HE3 LYS A 29 7.617 0.397 -13.558 1.00 32.11 H new ATOM 0 HZ1 LYS A 29 8.787 -1.400 -15.075 1.00 73.10 H new ATOM 0 HZ2 LYS A 29 7.950 -0.078 -15.733 1.00 73.10 H new ATOM 0 HZ3 LYS A 29 9.644 -0.039 -15.620 1.00 73.10 H new ATOM 445 N TRP A 30 7.907 6.375 -11.830 1.00 44.53 N ATOM 446 CA TRP A 30 7.409 7.725 -11.631 1.00 13.43 C ATOM 447 C TRP A 30 8.213 8.664 -12.532 1.00 14.10 C ATOM 448 O TRP A 30 7.646 9.356 -13.377 1.00 2.24 O ATOM 449 CB TRP A 30 7.468 8.120 -10.154 1.00 54.41 C ATOM 450 CG TRP A 30 6.207 7.763 -9.363 1.00 53.53 C ATOM 451 CD1 TRP A 30 6.123 7.108 -8.197 1.00 43.42 C ATOM 452 CD2 TRP A 30 4.846 8.068 -9.732 1.00 45.30 C ATOM 453 NE1 TRP A 30 4.812 6.970 -7.788 1.00 11.42 N ATOM 454 CE2 TRP A 30 4.011 7.573 -8.751 1.00 52.42 C ATOM 455 CE3 TRP A 30 4.338 8.742 -10.856 1.00 73.34 C ATOM 456 CZ2 TRP A 30 2.617 7.698 -8.795 1.00 12.23 C ATOM 457 CZ3 TRP A 30 2.943 8.858 -10.886 1.00 21.33 C ATOM 458 CH2 TRP A 30 2.088 8.365 -9.907 1.00 1.12 C ATOM 0 H TRP A 30 7.999 5.824 -10.977 1.00 44.53 H new ATOM 0 HA TRP A 30 6.357 7.792 -11.909 1.00 13.43 H new ATOM 0 HB2 TRP A 30 8.325 7.631 -9.692 1.00 54.41 H new ATOM 0 HB3 TRP A 30 7.637 9.194 -10.082 1.00 54.41 H new ATOM 0 HD1 TRP A 30 6.974 6.735 -7.647 1.00 43.42 H new ATOM 0 HE1 TRP A 30 4.490 6.510 -6.936 1.00 11.42 H new ATOM 0 HE3 TRP A 30 4.973 9.139 -11.634 1.00 73.34 H new ATOM 0 HZ2 TRP A 30 1.985 7.302 -8.014 1.00 12.23 H new ATOM 0 HZ3 TRP A 30 2.500 9.366 -11.729 1.00 21.33 H new ATOM 0 HH2 TRP A 30 1.020 8.496 -10.004 1.00 1.12 H new ATOM 469 N ALA A 31 9.522 8.657 -12.323 1.00 4.13 N ATOM 470 CA ALA A 31 10.409 9.500 -13.107 1.00 40.14 C ATOM 471 C ALA A 31 10.270 9.140 -14.588 1.00 1.51 C ATOM 472 O ALA A 31 10.302 10.019 -15.448 1.00 13.22 O ATOM 473 CB ALA A 31 11.844 9.340 -12.600 1.00 53.23 C ATOM 0 H ALA A 31 9.989 8.081 -11.623 1.00 4.13 H new ATOM 0 HA ALA A 31 10.139 10.550 -12.996 1.00 40.14 H new ATOM 0 HB1 ALA A 31 12.510 9.972 -13.187 1.00 53.23 H new ATOM 0 HB2 ALA A 31 11.895 9.635 -11.552 1.00 53.23 H new ATOM 0 HB3 ALA A 31 12.151 8.299 -12.699 1.00 53.23 H new ATOM 479 N SER A 32 10.119 7.848 -14.839 1.00 22.34 N ATOM 480 CA SER A 32 9.975 7.362 -16.201 1.00 4.41 C ATOM 481 C SER A 32 8.974 8.232 -16.963 1.00 32.45 C ATOM 482 O SER A 32 9.024 8.315 -18.189 1.00 55.32 O ATOM 483 CB SER A 32 9.531 5.900 -16.219 1.00 73.34 C ATOM 484 OG SER A 32 8.125 5.771 -16.413 1.00 60.21 O ATOM 0 H SER A 32 10.093 7.123 -14.122 1.00 22.34 H new ATOM 0 HA SER A 32 10.946 7.424 -16.692 1.00 4.41 H new ATOM 0 HB2 SER A 32 10.057 5.371 -17.014 1.00 73.34 H new ATOM 0 HB3 SER A 32 9.812 5.424 -15.280 1.00 73.34 H new ATOM 0 HG SER A 32 7.653 6.126 -15.631 1.00 60.21 H new ATOM 490 N LEU A 33 8.085 8.858 -16.205 1.00 33.11 N ATOM 491 CA LEU A 33 7.073 9.718 -16.795 1.00 4.14 C ATOM 492 C LEU A 33 7.730 11.007 -17.291 1.00 14.15 C ATOM 493 O LEU A 33 7.694 11.307 -18.484 1.00 23.55 O ATOM 494 CB LEU A 33 5.928 9.953 -15.807 1.00 41.44 C ATOM 495 CG LEU A 33 4.655 10.569 -16.389 1.00 31.01 C ATOM 496 CD1 LEU A 33 4.327 9.961 -17.755 1.00 65.21 C ATOM 497 CD2 LEU A 33 3.487 10.442 -15.410 1.00 20.32 C ATOM 0 H LEU A 33 8.045 8.787 -15.188 1.00 33.11 H new ATOM 0 HA LEU A 33 6.622 9.236 -17.662 1.00 4.14 H new ATOM 0 HB2 LEU A 33 5.669 8.999 -15.348 1.00 41.44 H new ATOM 0 HB3 LEU A 33 6.290 10.602 -15.010 1.00 41.44 H new ATOM 0 HG LEU A 33 4.831 11.634 -16.544 1.00 31.01 H new ATOM 0 HD11 LEU A 33 3.417 10.416 -18.147 1.00 65.21 H new ATOM 0 HD12 LEU A 33 5.151 10.147 -18.443 1.00 65.21 H new ATOM 0 HD13 LEU A 33 4.178 8.886 -17.649 1.00 65.21 H new ATOM 0 HD21 LEU A 33 2.594 10.888 -15.849 1.00 20.32 H new ATOM 0 HD22 LEU A 33 3.301 9.389 -15.200 1.00 20.32 H new ATOM 0 HD23 LEU A 33 3.732 10.959 -14.482 1.00 20.32 H new ATOM 509 N TRP A 34 8.317 11.734 -16.352 1.00 15.45 N ATOM 510 CA TRP A 34 8.983 12.984 -16.679 1.00 74.22 C ATOM 511 C TRP A 34 10.482 12.798 -16.442 1.00 44.25 C ATOM 512 O TRP A 34 11.287 12.984 -17.353 1.00 11.31 O ATOM 513 CB TRP A 34 8.390 14.146 -15.880 1.00 41.11 C ATOM 514 CG TRP A 34 8.639 14.055 -14.373 1.00 2.03 C ATOM 515 CD1 TRP A 34 7.853 13.501 -13.439 1.00 12.53 C ATOM 516 CD2 TRP A 34 9.788 14.559 -13.660 1.00 25.22 C ATOM 517 NE1 TRP A 34 8.409 13.610 -12.181 1.00 15.43 N ATOM 518 CE2 TRP A 34 9.623 14.274 -12.319 1.00 34.21 C ATOM 519 CE3 TRP A 34 10.928 15.233 -14.131 1.00 41.30 C ATOM 520 CZ2 TRP A 34 10.560 14.626 -11.341 1.00 43.21 C ATOM 521 CZ3 TRP A 34 11.855 15.579 -13.140 1.00 51.15 C ATOM 522 CH2 TRP A 34 11.704 15.298 -11.786 1.00 10.22 C ATOM 0 H TRP A 34 8.345 11.482 -15.364 1.00 15.45 H new ATOM 0 HA TRP A 34 8.827 13.242 -17.726 1.00 74.22 H new ATOM 0 HB2 TRP A 34 8.810 15.081 -16.252 1.00 41.11 H new ATOM 0 HB3 TRP A 34 7.315 14.186 -16.059 1.00 41.11 H new ATOM 0 HD1 TRP A 34 6.904 13.029 -13.645 1.00 12.53 H new ATOM 0 HE1 TRP A 34 8.004 13.267 -11.310 1.00 15.43 H new ATOM 0 HE3 TRP A 34 11.077 15.466 -15.175 1.00 41.30 H new ATOM 0 HZ2 TRP A 34 10.408 14.391 -10.298 1.00 43.21 H new ATOM 0 HZ3 TRP A 34 12.749 16.100 -13.448 1.00 51.15 H new ATOM 0 HH2 TRP A 34 12.466 15.597 -11.082 1.00 10.22 H new ATOM 533 N ASN A 35 10.813 12.432 -15.212 1.00 31.13 N ATOM 534 CA ASN A 35 12.203 12.218 -14.842 1.00 21.53 C ATOM 535 C ASN A 35 13.052 13.370 -15.384 1.00 52.25 C ATOM 536 O ASN A 35 14.166 13.598 -14.915 1.00 42.22 O ATOM 537 CB ASN A 35 12.736 10.915 -15.440 1.00 3.53 C ATOM 538 CG ASN A 35 14.257 10.971 -15.607 1.00 22.31 C ATOM 539 OD1 ASN A 35 14.779 11.274 -16.667 1.00 2.40 O ATOM 540 ND2 ASN A 35 14.933 10.663 -14.505 1.00 3.42 N ATOM 0 H ASN A 35 10.143 12.278 -14.459 1.00 31.13 H new ATOM 0 HA ASN A 35 12.260 12.166 -13.755 1.00 21.53 H new ATOM 0 HB2 ASN A 35 12.468 10.078 -14.795 1.00 3.53 H new ATOM 0 HB3 ASN A 35 12.267 10.736 -16.407 1.00 3.53 H new ATOM 0 HD21 ASN A 35 15.953 10.671 -14.513 1.00 3.42 H new ATOM 0 HD22 ASN A 35 14.432 10.418 -13.651 1.00 3.42 H new TER 547 ASN A 35