USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=4 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+ 129:sc= 0.0426 (180deg=0) USER MOD Single : A 15 SER OG : rot 4:sc= 0.933 USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.355 (180deg=-1.35!) 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=-0.00366 X(o=-0.0037,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.029) 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= -0.0108 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.370 -5.635 -5.551 1.00 64.11 N ATOM 2 CA GLY A 1 -26.769 -5.133 -4.328 1.00 43.53 C ATOM 3 C GLY A 1 -26.036 -3.813 -4.578 1.00 13.25 C ATOM 4 O GLY A 1 -25.543 -3.572 -5.680 1.00 40.04 O ATOM 0 H1 GLY A 1 -27.093 -6.628 -5.692 1.00 64.11 H new ATOM 0 H2 GLY A 1 -28.406 -5.571 -5.481 1.00 64.11 H new ATOM 0 H3 GLY A 1 -27.042 -5.066 -6.358 1.00 64.11 H new ATOM 0 HA2 GLY A 1 -27.541 -4.987 -3.573 1.00 43.53 H new ATOM 0 HA3 GLY A 1 -26.071 -5.871 -3.932 1.00 43.53 H new ATOM 8 N ILE A 2 -25.987 -2.994 -3.538 1.00 13.41 N ATOM 9 CA ILE A 2 -25.322 -1.705 -3.632 1.00 10.34 C ATOM 10 C ILE A 2 -23.810 -1.921 -3.723 1.00 51.52 C ATOM 11 O ILE A 2 -23.254 -2.000 -4.818 1.00 61.55 O ATOM 12 CB ILE A 2 -25.745 -0.799 -2.474 1.00 4.21 C ATOM 13 CG1 ILE A 2 -27.247 -0.508 -2.525 1.00 12.24 C ATOM 14 CG2 ILE A 2 -24.914 0.486 -2.451 1.00 43.11 C ATOM 15 CD1 ILE A 2 -27.739 0.068 -1.197 1.00 44.41 C ATOM 0 H ILE A 2 -26.397 -3.197 -2.626 1.00 13.41 H new ATOM 0 HA ILE A 2 -25.625 -1.185 -4.541 1.00 10.34 H new ATOM 0 HB ILE A 2 -25.550 -1.326 -1.540 1.00 4.21 H new ATOM 0 HG12 ILE A 2 -27.458 0.195 -3.331 1.00 12.24 H new ATOM 0 HG13 ILE A 2 -27.791 -1.425 -2.752 1.00 12.24 H new ATOM 0 HG21 ILE A 2 -25.235 1.112 -1.618 1.00 43.11 H new ATOM 0 HG22 ILE A 2 -23.860 0.236 -2.331 1.00 43.11 H new ATOM 0 HG23 ILE A 2 -25.054 1.027 -3.387 1.00 43.11 H new ATOM 0 HD11 ILE A 2 -28.809 0.266 -1.260 1.00 44.41 H new ATOM 0 HD12 ILE A 2 -27.549 -0.648 -0.397 1.00 44.41 H new ATOM 0 HD13 ILE A 2 -27.210 0.997 -0.985 1.00 44.41 H new ATOM 27 N GLY A 3 -23.186 -2.010 -2.557 1.00 0.45 N ATOM 28 CA GLY A 3 -21.749 -2.215 -2.491 1.00 11.05 C ATOM 29 C GLY A 3 -21.404 -3.379 -1.559 1.00 15.51 C ATOM 30 O GLY A 3 -21.683 -3.324 -0.362 1.00 23.22 O ATOM 0 H GLY A 3 -23.649 -1.944 -1.651 1.00 0.45 H new ATOM 0 HA2 GLY A 3 -21.360 -2.416 -3.489 1.00 11.05 H new ATOM 0 HA3 GLY A 3 -21.264 -1.305 -2.137 1.00 11.05 H new ATOM 34 N ALA A 4 -20.802 -4.404 -2.143 1.00 14.53 N ATOM 35 CA ALA A 4 -20.415 -5.579 -1.380 1.00 2.10 C ATOM 36 C ALA A 4 -19.729 -5.138 -0.086 1.00 64.22 C ATOM 37 O ALA A 4 -20.329 -5.188 0.987 1.00 35.11 O ATOM 38 CB ALA A 4 -19.519 -6.473 -2.239 1.00 51.22 C ATOM 0 H ALA A 4 -20.572 -4.446 -3.136 1.00 14.53 H new ATOM 0 HA ALA A 4 -21.292 -6.164 -1.105 1.00 2.10 H new ATOM 0 HB1 ALA A 4 -19.229 -7.354 -1.667 1.00 51.22 H new ATOM 0 HB2 ALA A 4 -20.063 -6.783 -3.132 1.00 51.22 H new ATOM 0 HB3 ALA A 4 -18.626 -5.920 -2.531 1.00 51.22 H new ATOM 44 N PHE A 5 -18.482 -4.714 -0.228 1.00 12.31 N ATOM 45 CA PHE A 5 -17.708 -4.265 0.917 1.00 2.13 C ATOM 46 C PHE A 5 -17.773 -2.742 1.058 1.00 61.31 C ATOM 47 O PHE A 5 -18.264 -2.229 2.062 1.00 71.02 O ATOM 48 CB PHE A 5 -16.256 -4.680 0.667 1.00 25.53 C ATOM 49 CG PHE A 5 -16.110 -5.967 -0.147 1.00 52.21 C ATOM 50 CD1 PHE A 5 -16.398 -7.168 0.422 1.00 71.50 C ATOM 51 CD2 PHE A 5 -15.690 -5.910 -1.440 1.00 73.31 C ATOM 52 CE1 PHE A 5 -16.261 -8.363 -0.333 1.00 22.40 C ATOM 53 CE2 PHE A 5 -15.552 -7.105 -2.195 1.00 60.20 C ATOM 54 CZ PHE A 5 -15.841 -8.307 -1.625 1.00 2.00 C ATOM 0 H PHE A 5 -17.988 -4.672 -1.119 1.00 12.31 H new ATOM 0 HA PHE A 5 -18.105 -4.706 1.831 1.00 2.13 H new ATOM 0 HB2 PHE A 5 -15.742 -3.872 0.146 1.00 25.53 H new ATOM 0 HB3 PHE A 5 -15.755 -4.810 1.626 1.00 25.53 H new ATOM 0 HD1 PHE A 5 -16.731 -7.213 1.448 1.00 71.50 H new ATOM 0 HD2 PHE A 5 -15.462 -4.956 -1.892 1.00 73.31 H new ATOM 0 HE1 PHE A 5 -16.490 -9.317 0.119 1.00 22.40 H new ATOM 0 HE2 PHE A 5 -15.218 -7.060 -3.221 1.00 60.20 H new ATOM 0 HZ PHE A 5 -15.737 -9.216 -2.199 1.00 2.00 H new ATOM 64 N GLY A 6 -17.271 -2.063 0.037 1.00 51.34 N ATOM 65 CA GLY A 6 -17.265 -0.610 0.036 1.00 34.40 C ATOM 66 C GLY A 6 -16.637 -0.066 -1.249 1.00 62.41 C ATOM 67 O GLY A 6 -15.445 0.236 -1.281 1.00 23.43 O ATOM 0 H GLY A 6 -16.866 -2.492 -0.795 1.00 51.34 H new ATOM 0 HA2 GLY A 6 -18.285 -0.238 0.132 1.00 34.40 H new ATOM 0 HA3 GLY A 6 -16.710 -0.244 0.900 1.00 34.40 H new ATOM 71 N LEU A 7 -17.468 0.043 -2.275 1.00 4.42 N ATOM 72 CA LEU A 7 -17.009 0.546 -3.559 1.00 30.01 C ATOM 73 C LEU A 7 -16.580 2.007 -3.405 1.00 15.35 C ATOM 74 O LEU A 7 -15.898 2.551 -4.273 1.00 44.13 O ATOM 75 CB LEU A 7 -18.077 0.329 -4.632 1.00 35.04 C ATOM 76 CG LEU A 7 -17.583 0.339 -6.081 1.00 42.21 C ATOM 77 CD1 LEU A 7 -17.959 -0.958 -6.798 1.00 32.12 C ATOM 78 CD2 LEU A 7 -18.096 1.574 -6.825 1.00 60.24 C ATOM 0 H LEU A 7 -18.456 -0.208 -2.244 1.00 4.42 H new ATOM 0 HA LEU A 7 -16.134 -0.010 -3.896 1.00 30.01 H new ATOM 0 HB2 LEU A 7 -18.566 -0.627 -4.442 1.00 35.04 H new ATOM 0 HB3 LEU A 7 -18.837 1.103 -4.522 1.00 35.04 H new ATOM 0 HG LEU A 7 -16.495 0.397 -6.071 1.00 42.21 H new ATOM 0 HD11 LEU A 7 -17.596 -0.924 -7.825 1.00 32.12 H new ATOM 0 HD12 LEU A 7 -17.506 -1.804 -6.281 1.00 32.12 H new ATOM 0 HD13 LEU A 7 -19.043 -1.072 -6.800 1.00 32.12 H new ATOM 0 HD21 LEU A 7 -17.731 1.558 -7.852 1.00 60.24 H new ATOM 0 HD22 LEU A 7 -19.186 1.571 -6.827 1.00 60.24 H new ATOM 0 HD23 LEU A 7 -17.737 2.474 -6.327 1.00 60.24 H new ATOM 90 N LEU A 8 -16.998 2.600 -2.297 1.00 54.31 N ATOM 91 CA LEU A 8 -16.665 3.987 -2.020 1.00 74.33 C ATOM 92 C LEU A 8 -15.180 4.091 -1.665 1.00 34.33 C ATOM 93 O LEU A 8 -14.627 5.187 -1.608 1.00 52.33 O ATOM 94 CB LEU A 8 -17.595 4.556 -0.946 1.00 74.42 C ATOM 95 CG LEU A 8 -18.681 5.514 -1.437 1.00 31.20 C ATOM 96 CD1 LEU A 8 -19.663 4.798 -2.366 1.00 4.43 C ATOM 97 CD2 LEU A 8 -19.392 6.187 -0.261 1.00 4.52 C ATOM 0 H LEU A 8 -17.564 2.146 -1.580 1.00 54.31 H new ATOM 0 HA LEU A 8 -16.824 4.601 -2.906 1.00 74.33 H new ATOM 0 HB2 LEU A 8 -18.077 3.724 -0.434 1.00 74.42 H new ATOM 0 HB3 LEU A 8 -16.987 5.076 -0.206 1.00 74.42 H new ATOM 0 HG LEU A 8 -18.203 6.303 -2.018 1.00 31.20 H new ATOM 0 HD11 LEU A 8 -20.425 5.501 -2.701 1.00 4.43 H new ATOM 0 HD12 LEU A 8 -19.126 4.405 -3.230 1.00 4.43 H new ATOM 0 HD13 LEU A 8 -20.138 3.976 -1.830 1.00 4.43 H new ATOM 0 HD21 LEU A 8 -20.159 6.863 -0.638 1.00 4.52 H new ATOM 0 HD22 LEU A 8 -19.856 5.426 0.367 1.00 4.52 H new ATOM 0 HD23 LEU A 8 -18.668 6.752 0.327 1.00 4.52 H new ATOM 109 N GLY A 9 -14.578 2.933 -1.437 1.00 11.51 N ATOM 110 CA GLY A 9 -13.168 2.878 -1.090 1.00 43.33 C ATOM 111 C GLY A 9 -12.599 1.477 -1.320 1.00 44.42 C ATOM 112 O GLY A 9 -11.805 0.987 -0.520 1.00 11.03 O ATOM 0 H GLY A 9 -15.041 2.025 -1.486 1.00 11.51 H new ATOM 0 HA2 GLY A 9 -12.614 3.602 -1.688 1.00 43.33 H new ATOM 0 HA3 GLY A 9 -13.036 3.161 -0.046 1.00 43.33 H new ATOM 116 N PHE A 10 -13.029 0.873 -2.418 1.00 31.52 N ATOM 117 CA PHE A 10 -12.573 -0.464 -2.764 1.00 51.50 C ATOM 118 C PHE A 10 -11.045 -0.525 -2.815 1.00 71.15 C ATOM 119 O PHE A 10 -10.445 -1.510 -2.386 1.00 64.54 O ATOM 120 CB PHE A 10 -13.131 -0.781 -4.153 1.00 43.14 C ATOM 121 CG PHE A 10 -13.441 -2.263 -4.375 1.00 60.51 C ATOM 122 CD1 PHE A 10 -12.450 -3.117 -4.745 1.00 24.30 C ATOM 123 CD2 PHE A 10 -14.709 -2.726 -4.202 1.00 42.43 C ATOM 124 CE1 PHE A 10 -12.739 -4.492 -4.951 1.00 50.11 C ATOM 125 CE2 PHE A 10 -14.997 -4.100 -4.408 1.00 72.34 C ATOM 126 CZ PHE A 10 -14.005 -4.955 -4.778 1.00 61.12 C ATOM 0 H PHE A 10 -13.688 1.284 -3.080 1.00 31.52 H new ATOM 0 HA PHE A 10 -12.914 -1.179 -2.016 1.00 51.50 H new ATOM 0 HB2 PHE A 10 -14.042 -0.202 -4.308 1.00 43.14 H new ATOM 0 HB3 PHE A 10 -12.413 -0.454 -4.905 1.00 43.14 H new ATOM 0 HD1 PHE A 10 -11.444 -2.750 -4.882 1.00 24.30 H new ATOM 0 HD2 PHE A 10 -15.496 -2.048 -3.908 1.00 42.43 H new ATOM 0 HE1 PHE A 10 -11.952 -5.170 -5.245 1.00 50.11 H new ATOM 0 HE2 PHE A 10 -16.003 -4.467 -4.271 1.00 72.34 H new ATOM 0 HZ PHE A 10 -14.224 -6.001 -4.934 1.00 61.12 H new ATOM 136 N LEU A 11 -10.459 0.539 -3.343 1.00 51.44 N ATOM 137 CA LEU A 11 -9.013 0.618 -3.456 1.00 41.42 C ATOM 138 C LEU A 11 -8.414 0.923 -2.081 1.00 53.12 C ATOM 139 O LEU A 11 -7.385 0.360 -1.710 1.00 72.14 O ATOM 140 CB LEU A 11 -8.614 1.626 -4.537 1.00 54.24 C ATOM 141 CG LEU A 11 -9.335 1.490 -5.879 1.00 14.13 C ATOM 142 CD1 LEU A 11 -8.508 2.105 -7.010 1.00 35.22 C ATOM 143 CD2 LEU A 11 -9.695 0.030 -6.162 1.00 25.11 C ATOM 0 H LEU A 11 -10.960 1.354 -3.697 1.00 51.44 H new ATOM 0 HA LEU A 11 -8.604 -0.340 -3.778 1.00 41.42 H new ATOM 0 HB2 LEU A 11 -8.791 2.630 -4.152 1.00 54.24 H new ATOM 0 HB3 LEU A 11 -7.542 1.536 -4.712 1.00 54.24 H new ATOM 0 HG LEU A 11 -10.270 2.048 -5.823 1.00 14.13 H new ATOM 0 HD11 LEU A 11 -9.043 1.995 -7.953 1.00 35.22 H new ATOM 0 HD12 LEU A 11 -8.344 3.163 -6.807 1.00 35.22 H new ATOM 0 HD13 LEU A 11 -7.547 1.595 -7.077 1.00 35.22 H new ATOM 0 HD21 LEU A 11 -10.207 -0.039 -7.122 1.00 25.11 H new ATOM 0 HD22 LEU A 11 -8.785 -0.570 -6.192 1.00 25.11 H new ATOM 0 HD23 LEU A 11 -10.350 -0.343 -5.374 1.00 25.11 H new ATOM 155 N ALA A 12 -9.085 1.811 -1.362 1.00 41.51 N ATOM 156 CA ALA A 12 -8.631 2.197 -0.037 1.00 21.52 C ATOM 157 C ALA A 12 -8.358 0.939 0.790 1.00 52.51 C ATOM 158 O ALA A 12 -7.519 0.953 1.689 1.00 12.44 O ATOM 159 CB ALA A 12 -9.675 3.107 0.615 1.00 71.51 C ATOM 0 H ALA A 12 -9.939 2.274 -1.672 1.00 41.51 H new ATOM 0 HA ALA A 12 -7.700 2.760 -0.099 1.00 21.52 H new ATOM 0 HB1 ALA A 12 -9.335 3.397 1.609 1.00 71.51 H new ATOM 0 HB2 ALA A 12 -9.812 3.999 0.004 1.00 71.51 H new ATOM 0 HB3 ALA A 12 -10.622 2.574 0.697 1.00 71.51 H new ATOM 165 N ALA A 13 -9.082 -0.119 0.455 1.00 54.20 N ATOM 166 CA ALA A 13 -8.927 -1.382 1.156 1.00 31.35 C ATOM 167 C ALA A 13 -7.462 -1.821 1.091 1.00 41.15 C ATOM 168 O ALA A 13 -6.901 -2.274 2.088 1.00 43.24 O ATOM 169 CB ALA A 13 -9.872 -2.421 0.550 1.00 24.42 C ATOM 0 H ALA A 13 -9.777 -0.127 -0.292 1.00 54.20 H new ATOM 0 HA ALA A 13 -9.192 -1.272 2.207 1.00 31.35 H new ATOM 0 HB1 ALA A 13 -9.756 -3.369 1.076 1.00 24.42 H new ATOM 0 HB2 ALA A 13 -10.902 -2.076 0.646 1.00 24.42 H new ATOM 0 HB3 ALA A 13 -9.633 -2.559 -0.504 1.00 24.42 H new ATOM 175 N GLY A 14 -6.884 -1.671 -0.092 1.00 44.20 N ATOM 176 CA GLY A 14 -5.496 -2.045 -0.299 1.00 70.10 C ATOM 177 C GLY A 14 -4.553 -1.061 0.397 1.00 33.33 C ATOM 178 O GLY A 14 -3.534 -1.463 0.958 1.00 24.02 O ATOM 0 H GLY A 14 -7.352 -1.295 -0.917 1.00 44.20 H new ATOM 0 HA2 GLY A 14 -5.326 -3.051 0.085 1.00 70.10 H new ATOM 0 HA3 GLY A 14 -5.278 -2.070 -1.367 1.00 70.10 H new ATOM 182 N SER A 15 -4.926 0.208 0.338 1.00 62.24 N ATOM 183 CA SER A 15 -4.127 1.253 0.956 1.00 51.14 C ATOM 184 C SER A 15 -4.433 1.329 2.453 1.00 44.14 C ATOM 185 O SER A 15 -3.931 2.211 3.148 1.00 61.14 O ATOM 186 CB SER A 15 -4.381 2.607 0.293 1.00 10.14 C ATOM 187 OG SER A 15 -3.893 3.689 1.081 1.00 63.33 O ATOM 0 H SER A 15 -5.771 0.537 -0.128 1.00 62.24 H new ATOM 0 HA SER A 15 -3.075 1.004 0.819 1.00 51.14 H new ATOM 0 HB2 SER A 15 -3.902 2.627 -0.686 1.00 10.14 H new ATOM 0 HB3 SER A 15 -5.451 2.734 0.127 1.00 10.14 H new ATOM 0 HG SER A 15 -3.429 3.337 1.869 1.00 63.33 H new ATOM 193 N LYS A 16 -5.255 0.394 2.905 1.00 63.13 N ATOM 194 CA LYS A 16 -5.634 0.345 4.307 1.00 64.04 C ATOM 195 C LYS A 16 -4.372 0.305 5.171 1.00 61.35 C ATOM 196 O LYS A 16 -4.416 0.634 6.356 1.00 23.21 O ATOM 197 CB LYS A 16 -6.592 -0.820 4.563 1.00 15.41 C ATOM 198 CG LYS A 16 -5.839 -2.152 4.597 1.00 11.43 C ATOM 199 CD LYS A 16 -5.486 -2.546 6.033 1.00 42.44 C ATOM 200 CE LYS A 16 -6.388 -3.677 6.529 1.00 51.52 C ATOM 201 NZ LYS A 16 -7.790 -3.438 6.121 1.00 21.23 N ATOM 0 H LYS A 16 -5.669 -0.336 2.325 1.00 63.13 H new ATOM 0 HA LYS A 16 -6.183 1.245 4.585 1.00 64.04 H new ATOM 0 HB2 LYS A 16 -7.111 -0.667 5.509 1.00 15.41 H new ATOM 0 HB3 LYS A 16 -7.353 -0.848 3.783 1.00 15.41 H new ATOM 0 HG2 LYS A 16 -6.451 -2.931 4.142 1.00 11.43 H new ATOM 0 HG3 LYS A 16 -4.928 -2.074 4.003 1.00 11.43 H new ATOM 0 HD2 LYS A 16 -4.443 -2.860 6.082 1.00 42.44 H new ATOM 0 HD3 LYS A 16 -5.589 -1.680 6.687 1.00 42.44 H new ATOM 0 HE2 LYS A 16 -6.043 -4.629 6.126 1.00 51.52 H new ATOM 0 HE3 LYS A 16 -6.326 -3.750 7.615 1.00 51.52 H new ATOM 0 HZ1 LYS A 16 -8.431 -3.915 6.786 1.00 21.23 H new ATOM 0 HZ2 LYS A 16 -7.984 -2.416 6.126 1.00 21.23 H new ATOM 0 HZ3 LYS A 16 -7.942 -3.815 5.164 1.00 21.23 H new ATOM 214 N LYS A 17 -3.278 -0.101 4.545 1.00 74.40 N ATOM 215 CA LYS A 17 -2.006 -0.189 5.242 1.00 12.24 C ATOM 216 C LYS A 17 -1.106 0.966 4.798 1.00 71.01 C ATOM 217 O LYS A 17 -0.727 1.809 5.610 1.00 52.42 O ATOM 218 CB LYS A 17 -1.378 -1.570 5.041 1.00 61.11 C ATOM 219 CG LYS A 17 -1.321 -2.343 6.359 1.00 52.34 C ATOM 220 CD LYS A 17 -0.229 -3.414 6.320 1.00 3.54 C ATOM 221 CE LYS A 17 0.336 -3.673 7.718 1.00 34.15 C ATOM 222 NZ LYS A 17 0.409 -5.127 7.986 1.00 20.34 N ATOM 0 H LYS A 17 -3.246 -0.373 3.562 1.00 74.40 H new ATOM 0 HA LYS A 17 -2.153 -0.085 6.317 1.00 12.24 H new ATOM 0 HB2 LYS A 17 -1.957 -2.134 4.309 1.00 61.11 H new ATOM 0 HB3 LYS A 17 -0.372 -1.461 4.636 1.00 61.11 H new ATOM 0 HG2 LYS A 17 -1.130 -1.653 7.181 1.00 52.34 H new ATOM 0 HG3 LYS A 17 -2.287 -2.810 6.553 1.00 52.34 H new ATOM 0 HD2 LYS A 17 -0.636 -4.339 5.912 1.00 3.54 H new ATOM 0 HD3 LYS A 17 0.573 -3.097 5.653 1.00 3.54 H new ATOM 0 HE2 LYS A 17 1.329 -3.231 7.803 1.00 34.15 H new ATOM 0 HE3 LYS A 17 -0.293 -3.190 8.466 1.00 34.15 H new ATOM 0 HZ1 LYS A 17 0.795 -5.285 8.939 1.00 20.34 H new ATOM 0 HZ2 LYS A 17 -0.544 -5.540 7.925 1.00 20.34 H new ATOM 0 HZ3 LYS A 17 1.028 -5.579 7.283 1.00 20.34 H new HETATM 235 C1 ACA A 18 5.510 2.582 1.538 1.00 31.44 C HETATM 236 O1 ACA A 18 5.030 3.426 2.292 1.00 54.33 O HETATM 237 C2 ACA A 18 4.507 1.495 1.625 1.00 43.30 C HETATM 238 C3 ACA A 18 3.269 1.841 0.796 1.00 74.21 C HETATM 239 C4 ACA A 18 2.181 2.469 1.669 1.00 71.33 C HETATM 240 C5 ACA A 18 1.308 1.391 2.317 1.00 74.12 C HETATM 241 C6 ACA A 18 0.059 2.005 2.950 1.00 64.32 C HETATM 242 N6 ACA A 18 -0.790 0.968 3.511 1.00 40.14 N HETATM 0 H62 ACA A 18 0.348 2.708 3.731 1.00 64.32 H new HETATM 0 H61 ACA A 18 -0.495 2.571 2.201 1.00 64.32 H new HETATM 0 H52 ACA A 18 1.016 0.655 1.568 1.00 74.12 H new HETATM 0 H51 ACA A 18 1.882 0.861 3.077 1.00 74.12 H new HETATM 0 H42 ACA A 18 2.640 3.084 2.443 1.00 71.33 H new HETATM 0 H41 ACA A 18 1.560 3.130 1.064 1.00 71.33 H new HETATM 0 H32 ACA A 18 3.543 2.531 -0.002 1.00 74.21 H new HETATM 0 H31 ACA A 18 2.883 0.940 0.320 1.00 74.21 H new HETATM 0 H22 ACA A 18 4.942 0.561 1.268 1.00 43.30 H new HETATM 0 H21 ACA A 18 4.223 1.337 2.665 1.00 43.30 H new ATOM 254 N LYS A 19 6.749 2.120 1.617 1.00 2.23 N ATOM 255 CA LYS A 19 7.661 2.600 2.642 1.00 10.44 C ATOM 256 C LYS A 19 8.416 3.822 2.113 1.00 72.22 C ATOM 257 O LYS A 19 8.075 4.957 2.443 1.00 74.33 O ATOM 258 CB LYS A 19 8.577 1.469 3.116 1.00 5.13 C ATOM 259 CG LYS A 19 7.760 0.277 3.618 1.00 64.11 C ATOM 260 CD LYS A 19 8.669 -0.793 4.226 1.00 53.15 C ATOM 261 CE LYS A 19 9.107 -1.807 3.167 1.00 63.15 C ATOM 262 NZ LYS A 19 8.050 -2.820 2.952 1.00 11.12 N ATOM 0 HA LYS A 19 7.108 2.922 3.524 1.00 10.44 H new ATOM 0 HB2 LYS A 19 9.224 1.153 2.298 1.00 5.13 H new ATOM 0 HB3 LYS A 19 9.226 1.831 3.913 1.00 5.13 H new ATOM 0 HG2 LYS A 19 7.039 0.613 4.363 1.00 64.11 H new ATOM 0 HG3 LYS A 19 7.190 -0.151 2.793 1.00 64.11 H new ATOM 0 HD2 LYS A 19 9.547 -0.321 4.668 1.00 53.15 H new ATOM 0 HD3 LYS A 19 8.144 -1.307 5.031 1.00 53.15 H new ATOM 0 HE2 LYS A 19 9.323 -1.293 2.230 1.00 63.15 H new ATOM 0 HE3 LYS A 19 10.029 -2.296 3.482 1.00 63.15 H new ATOM 0 HZ1 LYS A 19 8.363 -3.501 2.231 1.00 11.12 H new ATOM 0 HZ2 LYS A 19 7.864 -3.322 3.844 1.00 11.12 H new ATOM 0 HZ3 LYS A 19 7.179 -2.351 2.631 1.00 11.12 H new ATOM 275 N ASN A 20 9.428 3.548 1.304 1.00 24.24 N ATOM 276 CA ASN A 20 10.233 4.611 0.726 1.00 54.54 C ATOM 277 C ASN A 20 10.168 4.524 -0.799 1.00 1.52 C ATOM 278 O ASN A 20 9.449 3.691 -1.347 1.00 63.43 O ATOM 279 CB ASN A 20 11.700 4.480 1.146 1.00 25.15 C ATOM 280 CG ASN A 20 11.829 4.399 2.668 1.00 34.03 C ATOM 281 OD1 ASN A 20 11.427 5.288 3.400 1.00 72.50 O ATOM 282 ND2 ASN A 20 12.413 3.285 3.102 1.00 41.20 N ATOM 0 H ASN A 20 9.709 2.605 1.035 1.00 24.24 H new ATOM 0 HA ASN A 20 9.839 5.563 1.081 1.00 54.54 H new ATOM 0 HB2 ASN A 20 12.134 3.589 0.693 1.00 25.15 H new ATOM 0 HB3 ASN A 20 12.266 5.334 0.774 1.00 25.15 H new ATOM 0 HD21 ASN A 20 12.547 3.136 4.102 1.00 41.20 H new ATOM 0 HD22 ASN A 20 12.727 2.580 2.435 1.00 41.20 H new ATOM 289 N GLU A 21 10.930 5.397 -1.442 1.00 2.15 N ATOM 290 CA GLU A 21 10.968 5.430 -2.895 1.00 73.24 C ATOM 291 C GLU A 21 11.806 4.266 -3.430 1.00 0.34 C ATOM 292 O GLU A 21 11.553 3.766 -4.525 1.00 5.20 O ATOM 293 CB GLU A 21 11.505 6.770 -3.400 1.00 51.13 C ATOM 294 CG GLU A 21 13.027 6.839 -3.259 1.00 12.23 C ATOM 295 CD GLU A 21 13.476 8.235 -2.823 1.00 31.34 C ATOM 296 OE1 GLU A 21 13.542 8.517 -1.618 1.00 11.41 O ATOM 297 OE2 GLU A 21 13.762 9.042 -3.789 1.00 34.22 O ATOM 0 H GLU A 21 11.526 6.087 -0.984 1.00 2.15 H new ATOM 0 HA GLU A 21 9.950 5.321 -3.268 1.00 73.24 H new ATOM 0 HB2 GLU A 21 11.226 6.907 -4.445 1.00 51.13 H new ATOM 0 HB3 GLU A 21 11.047 7.584 -2.839 1.00 51.13 H new ATOM 0 HG2 GLU A 21 13.362 6.101 -2.530 1.00 12.23 H new ATOM 0 HG3 GLU A 21 13.496 6.583 -4.209 1.00 12.23 H new ATOM 305 N GLN A 22 12.786 3.869 -2.632 1.00 10.52 N ATOM 306 CA GLN A 22 13.663 2.774 -3.013 1.00 64.42 C ATOM 307 C GLN A 22 12.846 1.613 -3.582 1.00 22.43 C ATOM 308 O GLN A 22 13.140 1.114 -4.668 1.00 43.31 O ATOM 309 CB GLN A 22 14.513 2.315 -1.827 1.00 40.22 C ATOM 310 CG GLN A 22 15.886 1.828 -2.292 1.00 11.42 C ATOM 311 CD GLN A 22 16.163 0.408 -1.794 1.00 73.43 C ATOM 312 OE1 GLN A 22 15.431 -0.528 -2.069 1.00 70.32 O ATOM 313 NE2 GLN A 22 17.258 0.301 -1.046 1.00 21.31 N ATOM 0 H GLN A 22 12.992 4.285 -1.724 1.00 10.52 H new ATOM 0 HA GLN A 22 14.341 3.131 -3.788 1.00 64.42 H new ATOM 0 HB2 GLN A 22 14.635 3.138 -1.122 1.00 40.22 H new ATOM 0 HB3 GLN A 22 14.000 1.513 -1.296 1.00 40.22 H new ATOM 0 HG2 GLN A 22 15.934 1.851 -3.381 1.00 11.42 H new ATOM 0 HG3 GLN A 22 16.659 2.503 -1.924 1.00 11.42 H new ATOM 0 HE21 GLN A 22 17.827 1.125 -0.854 1.00 21.31 H new ATOM 0 HE22 GLN A 22 17.529 -0.606 -0.665 1.00 21.31 H new ATOM 322 N GLU A 23 11.833 1.216 -2.824 1.00 14.40 N ATOM 323 CA GLU A 23 10.972 0.122 -3.240 1.00 21.14 C ATOM 324 C GLU A 23 10.469 0.355 -4.666 1.00 63.23 C ATOM 325 O GLU A 23 10.493 -0.554 -5.493 1.00 13.01 O ATOM 326 CB GLU A 23 9.802 -0.054 -2.268 1.00 14.43 C ATOM 327 CG GLU A 23 9.182 -1.446 -2.404 1.00 10.14 C ATOM 328 CD GLU A 23 7.705 -1.353 -2.790 1.00 2.43 C ATOM 329 OE1 GLU A 23 7.218 -2.173 -3.582 1.00 72.45 O ATOM 330 OE2 GLU A 23 7.056 -0.384 -2.236 1.00 14.23 O ATOM 0 H GLU A 23 11.590 1.632 -1.925 1.00 14.40 H new ATOM 0 HA GLU A 23 11.555 -0.799 -3.227 1.00 21.14 H new ATOM 0 HB2 GLU A 23 10.148 0.096 -1.245 1.00 14.43 H new ATOM 0 HB3 GLU A 23 9.045 0.706 -2.463 1.00 14.43 H new ATOM 0 HG2 GLU A 23 9.723 -2.017 -3.158 1.00 10.14 H new ATOM 0 HG3 GLU A 23 9.282 -1.986 -1.463 1.00 10.14 H new ATOM 338 N LEU A 24 10.024 1.580 -4.909 1.00 5.35 N ATOM 339 CA LEU A 24 9.517 1.945 -6.221 1.00 72.41 C ATOM 340 C LEU A 24 10.488 1.450 -7.295 1.00 3.54 C ATOM 341 O LEU A 24 10.097 0.711 -8.197 1.00 4.45 O ATOM 342 CB LEU A 24 9.237 3.447 -6.289 1.00 54.44 C ATOM 343 CG LEU A 24 8.239 3.897 -7.357 1.00 2.05 C ATOM 344 CD1 LEU A 24 8.621 3.343 -8.732 1.00 64.34 C ATOM 345 CD2 LEU A 24 6.809 3.521 -6.965 1.00 13.11 C ATOM 0 H LEU A 24 10.004 2.332 -4.220 1.00 5.35 H new ATOM 0 HA LEU A 24 8.560 1.458 -6.408 1.00 72.41 H new ATOM 0 HB2 LEU A 24 8.868 3.772 -5.316 1.00 54.44 H new ATOM 0 HB3 LEU A 24 10.181 3.965 -6.461 1.00 54.44 H new ATOM 0 HG LEU A 24 8.278 4.984 -7.425 1.00 2.05 H new ATOM 0 HD11 LEU A 24 7.895 3.678 -9.473 1.00 64.34 H new ATOM 0 HD12 LEU A 24 9.613 3.703 -9.007 1.00 64.34 H new ATOM 0 HD13 LEU A 24 8.627 2.254 -8.696 1.00 64.34 H new ATOM 0 HD21 LEU A 24 6.120 3.853 -7.742 1.00 13.11 H new ATOM 0 HD22 LEU A 24 6.735 2.439 -6.852 1.00 13.11 H new ATOM 0 HD23 LEU A 24 6.552 4.003 -6.022 1.00 13.11 H new ATOM 357 N LEU A 25 11.734 1.879 -7.162 1.00 55.32 N ATOM 358 CA LEU A 25 12.765 1.489 -8.110 1.00 40.04 C ATOM 359 C LEU A 25 12.796 -0.036 -8.224 1.00 35.12 C ATOM 360 O LEU A 25 12.985 -0.578 -9.312 1.00 62.01 O ATOM 361 CB LEU A 25 14.110 2.104 -7.721 1.00 54.41 C ATOM 362 CG LEU A 25 14.186 3.632 -7.762 1.00 0.15 C ATOM 363 CD1 LEU A 25 13.028 4.217 -8.574 1.00 53.14 C ATOM 364 CD2 LEU A 25 14.249 4.216 -6.350 1.00 73.22 C ATOM 0 H LEU A 25 12.054 2.493 -6.413 1.00 55.32 H new ATOM 0 HA LEU A 25 12.538 1.879 -9.102 1.00 40.04 H new ATOM 0 HB2 LEU A 25 14.360 1.775 -6.712 1.00 54.41 H new ATOM 0 HB3 LEU A 25 14.876 1.704 -8.386 1.00 54.41 H new ATOM 0 HG LEU A 25 15.109 3.915 -8.268 1.00 0.15 H new ATOM 0 HD11 LEU A 25 13.106 5.304 -8.587 1.00 53.14 H new ATOM 0 HD12 LEU A 25 13.071 3.838 -9.595 1.00 53.14 H new ATOM 0 HD13 LEU A 25 12.081 3.926 -8.119 1.00 53.14 H new ATOM 0 HD21 LEU A 25 14.302 5.303 -6.408 1.00 73.22 H new ATOM 0 HD22 LEU A 25 13.356 3.926 -5.796 1.00 73.22 H new ATOM 0 HD23 LEU A 25 15.133 3.836 -5.838 1.00 73.22 H new ATOM 376 N GLU A 26 12.609 -0.688 -7.085 1.00 64.05 N ATOM 377 CA GLU A 26 12.613 -2.140 -7.043 1.00 62.11 C ATOM 378 C GLU A 26 11.590 -2.702 -8.031 1.00 10.23 C ATOM 379 O GLU A 26 11.879 -3.653 -8.756 1.00 53.03 O ATOM 380 CB GLU A 26 12.343 -2.648 -5.625 1.00 21.22 C ATOM 381 CG GLU A 26 13.389 -3.682 -5.205 1.00 15.45 C ATOM 382 CD GLU A 26 12.937 -4.445 -3.958 1.00 2.14 C ATOM 383 OE1 GLU A 26 12.023 -3.993 -3.253 1.00 52.21 O ATOM 384 OE2 GLU A 26 13.570 -5.546 -3.733 1.00 33.40 O ATOM 0 H GLU A 26 12.454 -0.236 -6.184 1.00 64.05 H new ATOM 0 HA GLU A 26 13.603 -2.490 -7.337 1.00 62.11 H new ATOM 0 HB2 GLU A 26 12.353 -1.811 -4.927 1.00 21.22 H new ATOM 0 HB3 GLU A 26 11.348 -3.091 -5.577 1.00 21.22 H new ATOM 0 HG2 GLU A 26 13.561 -4.383 -6.022 1.00 15.45 H new ATOM 0 HG3 GLU A 26 14.338 -3.184 -5.007 1.00 15.45 H new ATOM 392 N LEU A 27 10.415 -2.090 -8.030 1.00 61.41 N ATOM 393 CA LEU A 27 9.347 -2.518 -8.918 1.00 54.12 C ATOM 394 C LEU A 27 9.603 -1.963 -10.321 1.00 32.43 C ATOM 395 O LEU A 27 9.183 -2.557 -11.313 1.00 61.21 O ATOM 396 CB LEU A 27 7.983 -2.129 -8.343 1.00 55.23 C ATOM 397 CG LEU A 27 7.568 -2.848 -7.058 1.00 74.42 C ATOM 398 CD1 LEU A 27 6.489 -3.895 -7.340 1.00 24.32 C ATOM 399 CD2 LEU A 27 8.782 -3.454 -6.350 1.00 2.53 C ATOM 0 H LEU A 27 10.179 -1.301 -7.428 1.00 61.41 H new ATOM 0 HA LEU A 27 9.334 -3.605 -9.001 1.00 54.12 H new ATOM 0 HB2 LEU A 27 7.984 -1.056 -8.151 1.00 55.23 H new ATOM 0 HB3 LEU A 27 7.224 -2.316 -9.102 1.00 55.23 H new ATOM 0 HG LEU A 27 7.135 -2.112 -6.381 1.00 74.42 H new ATOM 0 HD11 LEU A 27 6.212 -4.391 -6.410 1.00 24.32 H new ATOM 0 HD12 LEU A 27 5.612 -3.408 -7.767 1.00 24.32 H new ATOM 0 HD13 LEU A 27 6.873 -4.633 -8.045 1.00 24.32 H new ATOM 0 HD21 LEU A 27 8.458 -3.959 -5.440 1.00 2.53 H new ATOM 0 HD22 LEU A 27 9.267 -4.173 -7.010 1.00 2.53 H new ATOM 0 HD23 LEU A 27 9.487 -2.663 -6.095 1.00 2.53 H new ATOM 411 N ASP A 28 10.292 -0.832 -10.359 1.00 71.41 N ATOM 412 CA ASP A 28 10.609 -0.191 -11.624 1.00 12.10 C ATOM 413 C ASP A 28 11.500 -1.120 -12.451 1.00 2.21 C ATOM 414 O ASP A 28 11.589 -0.977 -13.670 1.00 51.54 O ATOM 415 CB ASP A 28 11.367 1.119 -11.402 1.00 33.44 C ATOM 416 CG ASP A 28 11.343 2.088 -12.586 1.00 71.42 C ATOM 417 OD1 ASP A 28 12.395 2.533 -13.068 1.00 60.00 O ATOM 418 OD2 ASP A 28 10.167 2.387 -13.022 1.00 63.45 O ATOM 0 H ASP A 28 10.640 -0.343 -9.534 1.00 71.41 H new ATOM 0 HA ASP A 28 9.673 0.018 -12.141 1.00 12.10 H new ATOM 0 HB2 ASP A 28 10.946 1.622 -10.531 1.00 33.44 H new ATOM 0 HB3 ASP A 28 12.405 0.885 -11.164 1.00 33.44 H new ATOM 424 N LYS A 29 12.136 -2.051 -11.756 1.00 3.33 N ATOM 425 CA LYS A 29 13.017 -3.003 -12.412 1.00 3.21 C ATOM 426 C LYS A 29 12.177 -4.091 -13.083 1.00 41.41 C ATOM 427 O LYS A 29 12.718 -4.999 -13.713 1.00 63.35 O ATOM 428 CB LYS A 29 14.051 -3.546 -11.424 1.00 50.14 C ATOM 429 CG LYS A 29 15.341 -2.724 -11.471 1.00 30.42 C ATOM 430 CD LYS A 29 15.096 -1.291 -10.995 1.00 32.11 C ATOM 431 CE LYS A 29 16.250 -0.373 -11.403 1.00 60.33 C ATOM 432 NZ LYS A 29 17.271 -0.318 -10.333 1.00 52.34 N ATOM 0 H LYS A 29 12.059 -2.167 -10.746 1.00 3.33 H new ATOM 0 HA LYS A 29 13.590 -2.512 -13.199 1.00 3.21 H new ATOM 0 HB2 LYS A 29 13.640 -3.526 -10.415 1.00 50.14 H new ATOM 0 HB3 LYS A 29 14.271 -4.588 -11.658 1.00 50.14 H new ATOM 0 HG2 LYS A 29 16.099 -3.194 -10.845 1.00 30.42 H new ATOM 0 HG3 LYS A 29 15.731 -2.711 -12.489 1.00 30.42 H new ATOM 0 HD2 LYS A 29 14.163 -0.918 -11.418 1.00 32.11 H new ATOM 0 HD3 LYS A 29 14.982 -1.278 -9.911 1.00 32.11 H new ATOM 0 HE2 LYS A 29 16.702 -0.735 -12.327 1.00 60.33 H new ATOM 0 HE3 LYS A 29 15.872 0.629 -11.605 1.00 60.33 H new ATOM 0 HZ1 LYS A 29 18.047 0.309 -10.626 1.00 52.34 H new ATOM 0 HZ2 LYS A 29 16.840 0.049 -9.460 1.00 52.34 H new ATOM 0 HZ3 LYS A 29 17.644 -1.273 -10.160 1.00 52.34 H new ATOM 445 N TRP A 30 10.868 -3.964 -12.925 1.00 31.41 N ATOM 446 CA TRP A 30 9.947 -4.926 -13.507 1.00 61.43 C ATOM 447 C TRP A 30 10.445 -5.265 -14.913 1.00 23.24 C ATOM 448 O TRP A 30 10.619 -6.436 -15.248 1.00 2.43 O ATOM 449 CB TRP A 30 8.514 -4.391 -13.492 1.00 12.05 C ATOM 450 CG TRP A 30 7.735 -4.731 -12.220 1.00 21.21 C ATOM 451 CD1 TRP A 30 7.034 -3.902 -11.436 1.00 51.13 C ATOM 452 CD2 TRP A 30 7.605 -6.035 -11.615 1.00 51.44 C ATOM 453 NE1 TRP A 30 6.464 -4.572 -10.372 1.00 52.44 N ATOM 454 CE2 TRP A 30 6.823 -5.911 -10.484 1.00 42.43 C ATOM 455 CE3 TRP A 30 8.132 -7.277 -12.008 1.00 34.33 C ATOM 456 CZ2 TRP A 30 6.497 -6.990 -9.654 1.00 0.45 C ATOM 457 CZ3 TRP A 30 7.797 -8.346 -11.168 1.00 12.25 C ATOM 458 CH2 TRP A 30 7.011 -8.238 -10.027 1.00 61.22 C ATOM 0 H TRP A 30 10.423 -3.210 -12.402 1.00 31.41 H new ATOM 0 HA TRP A 30 9.921 -5.842 -12.917 1.00 61.43 H new ATOM 0 HB2 TRP A 30 8.540 -3.308 -13.611 1.00 12.05 H new ATOM 0 HB3 TRP A 30 7.978 -4.793 -14.352 1.00 12.05 H new ATOM 0 HD1 TRP A 30 6.928 -2.842 -11.614 1.00 51.13 H new ATOM 0 HE1 TRP A 30 5.886 -4.161 -9.639 1.00 52.44 H new ATOM 0 HE3 TRP A 30 8.747 -7.397 -12.888 1.00 34.33 H new ATOM 0 HZ2 TRP A 30 5.883 -6.867 -8.774 1.00 0.45 H new ATOM 0 HZ3 TRP A 30 8.176 -9.324 -11.425 1.00 12.25 H new ATOM 0 HH2 TRP A 30 6.798 -9.113 -9.431 1.00 61.22 H new ATOM 469 N ALA A 31 10.658 -4.220 -15.699 1.00 52.31 N ATOM 470 CA ALA A 31 11.133 -4.392 -17.061 1.00 32.13 C ATOM 471 C ALA A 31 12.554 -4.960 -17.035 1.00 63.50 C ATOM 472 O ALA A 31 12.873 -5.877 -17.790 1.00 1.42 O ATOM 473 CB ALA A 31 11.053 -3.057 -17.803 1.00 64.00 C ATOM 0 H ALA A 31 10.510 -3.251 -15.418 1.00 52.31 H new ATOM 0 HA ALA A 31 10.504 -5.102 -17.598 1.00 32.13 H new ATOM 0 HB1 ALA A 31 11.410 -3.187 -18.825 1.00 64.00 H new ATOM 0 HB2 ALA A 31 10.019 -2.712 -17.820 1.00 64.00 H new ATOM 0 HB3 ALA A 31 11.673 -2.320 -17.293 1.00 64.00 H new ATOM 479 N SER A 32 13.366 -4.392 -16.157 1.00 13.41 N ATOM 480 CA SER A 32 14.746 -4.831 -16.022 1.00 60.32 C ATOM 481 C SER A 32 14.810 -6.359 -16.007 1.00 31.45 C ATOM 482 O SER A 32 15.814 -6.946 -16.405 1.00 12.33 O ATOM 483 CB SER A 32 15.383 -4.260 -14.753 1.00 35.30 C ATOM 484 OG SER A 32 16.786 -4.060 -14.904 1.00 31.12 O ATOM 0 H SER A 32 13.096 -3.632 -15.532 1.00 13.41 H new ATOM 0 HA SER A 32 15.309 -4.459 -16.878 1.00 60.32 H new ATOM 0 HB2 SER A 32 14.906 -3.312 -14.503 1.00 35.30 H new ATOM 0 HB3 SER A 32 15.201 -4.938 -13.919 1.00 35.30 H new ATOM 0 HG SER A 32 17.155 -3.693 -14.074 1.00 31.12 H new ATOM 490 N LEU A 33 13.724 -6.961 -15.544 1.00 42.13 N ATOM 491 CA LEU A 33 13.643 -8.410 -15.473 1.00 53.35 C ATOM 492 C LEU A 33 13.975 -9.003 -16.844 1.00 31.03 C ATOM 493 O LEU A 33 14.924 -9.774 -16.978 1.00 41.32 O ATOM 494 CB LEU A 33 12.283 -8.845 -14.926 1.00 20.35 C ATOM 495 CG LEU A 33 12.283 -10.092 -14.040 1.00 32.44 C ATOM 496 CD1 LEU A 33 10.884 -10.373 -13.489 1.00 13.04 C ATOM 497 CD2 LEU A 33 12.857 -11.297 -14.788 1.00 32.23 C ATOM 0 H LEU A 33 12.892 -6.471 -15.214 1.00 42.13 H new ATOM 0 HA LEU A 33 14.381 -8.799 -14.771 1.00 53.35 H new ATOM 0 HB2 LEU A 33 11.862 -8.018 -14.354 1.00 20.35 H new ATOM 0 HB3 LEU A 33 11.615 -9.023 -15.769 1.00 20.35 H new ATOM 0 HG LEU A 33 12.934 -9.904 -13.186 1.00 32.44 H new ATOM 0 HD11 LEU A 33 10.912 -11.265 -12.863 1.00 13.04 H new ATOM 0 HD12 LEU A 33 10.549 -9.523 -12.895 1.00 13.04 H new ATOM 0 HD13 LEU A 33 10.192 -10.532 -14.316 1.00 13.04 H new ATOM 0 HD21 LEU A 33 12.845 -12.170 -14.135 1.00 32.23 H new ATOM 0 HD22 LEU A 33 12.253 -11.498 -15.673 1.00 32.23 H new ATOM 0 HD23 LEU A 33 13.882 -11.083 -15.090 1.00 32.23 H new ATOM 509 N TRP A 34 13.173 -8.621 -17.827 1.00 14.33 N ATOM 510 CA TRP A 34 13.369 -9.105 -19.183 1.00 1.15 C ATOM 511 C TRP A 34 14.214 -8.075 -19.936 1.00 30.23 C ATOM 512 O TRP A 34 15.284 -8.399 -20.447 1.00 12.51 O ATOM 513 CB TRP A 34 12.028 -9.391 -19.863 1.00 41.25 C ATOM 514 CG TRP A 34 11.098 -8.178 -19.937 1.00 74.31 C ATOM 515 CD1 TRP A 34 10.985 -7.284 -20.929 1.00 32.13 C ATOM 516 CD2 TRP A 34 10.148 -7.761 -18.935 1.00 51.03 C ATOM 517 NE1 TRP A 34 10.036 -6.325 -20.640 1.00 35.13 N ATOM 518 CE2 TRP A 34 9.511 -6.624 -19.389 1.00 71.41 C ATOM 519 CE3 TRP A 34 9.838 -8.324 -17.684 1.00 25.35 C ATOM 520 CZ2 TRP A 34 8.524 -5.954 -18.657 1.00 60.14 C ATOM 521 CZ3 TRP A 34 8.848 -7.643 -16.964 1.00 1.54 C ATOM 522 CH2 TRP A 34 8.197 -6.498 -17.408 1.00 12.41 C ATOM 0 H TRP A 34 12.386 -7.982 -17.712 1.00 14.33 H new ATOM 0 HA TRP A 34 13.902 -10.056 -19.179 1.00 1.15 H new ATOM 0 HB2 TRP A 34 12.215 -9.755 -20.873 1.00 41.25 H new ATOM 0 HB3 TRP A 34 11.522 -10.192 -19.324 1.00 41.25 H new ATOM 0 HD1 TRP A 34 11.564 -7.311 -21.840 1.00 32.13 H new ATOM 0 HE1 TRP A 34 9.769 -5.541 -21.235 1.00 35.13 H new ATOM 0 HE3 TRP A 34 10.325 -9.212 -17.308 1.00 25.35 H new ATOM 0 HZ2 TRP A 34 8.040 -5.065 -19.035 1.00 60.14 H new ATOM 0 HZ3 TRP A 34 8.571 -8.035 -15.996 1.00 1.54 H new ATOM 0 HH2 TRP A 34 7.443 -6.030 -16.793 1.00 12.41 H new ATOM 533 N ASN A 35 13.699 -6.854 -19.980 1.00 14.24 N ATOM 534 CA ASN A 35 14.393 -5.775 -20.663 1.00 64.05 C ATOM 535 C ASN A 35 15.866 -5.781 -20.251 1.00 3.12 C ATOM 536 O ASN A 35 16.707 -6.343 -20.951 1.00 32.41 O ATOM 537 CB ASN A 35 13.802 -4.415 -20.284 1.00 33.52 C ATOM 538 CG ASN A 35 14.087 -3.373 -21.367 1.00 72.35 C ATOM 539 OD1 ASN A 35 14.910 -2.486 -21.210 1.00 54.32 O ATOM 540 ND2 ASN A 35 13.362 -3.528 -22.471 1.00 11.33 N ATOM 0 H ASN A 35 12.811 -6.589 -19.554 1.00 14.24 H new ATOM 0 HA ASN A 35 14.285 -5.930 -21.737 1.00 64.05 H new ATOM 0 HB2 ASN A 35 12.726 -4.510 -20.139 1.00 33.52 H new ATOM 0 HB3 ASN A 35 14.223 -4.083 -19.335 1.00 33.52 H new ATOM 0 HD21 ASN A 35 13.478 -2.882 -23.252 1.00 11.33 H new ATOM 0 HD22 ASN A 35 12.690 -4.293 -22.537 1.00 11.33 H new TER 547 ASN A 35