USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD NoAdj-H: A 18 ACAHN61 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 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+ 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= -0.0197 X(o=-0.02,f=0.11) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0232) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.176 -2.046 -4.870 1.00 0.53 N ATOM 2 CA GLY A 1 -28.561 -1.011 -3.927 1.00 23.33 C ATOM 3 C GLY A 1 -27.457 0.038 -3.782 1.00 10.22 C ATOM 4 O GLY A 1 -27.165 0.771 -4.726 1.00 1.34 O ATOM 0 H1 GLY A 1 -28.942 -2.745 -4.950 1.00 0.53 H new ATOM 0 H2 GLY A 1 -27.999 -1.619 -5.801 1.00 0.53 H new ATOM 0 H3 GLY A 1 -27.311 -2.517 -4.535 1.00 0.53 H new ATOM 0 HA2 GLY A 1 -29.481 -0.532 -4.263 1.00 23.33 H new ATOM 0 HA3 GLY A 1 -28.771 -1.459 -2.956 1.00 23.33 H new ATOM 8 N ILE A 2 -26.874 0.076 -2.593 1.00 11.12 N ATOM 9 CA ILE A 2 -25.807 1.023 -2.313 1.00 24.00 C ATOM 10 C ILE A 2 -24.489 0.266 -2.147 1.00 32.20 C ATOM 11 O ILE A 2 -23.628 0.674 -1.369 1.00 71.03 O ATOM 12 CB ILE A 2 -26.170 1.897 -1.110 1.00 13.01 C ATOM 13 CG1 ILE A 2 -26.056 1.109 0.195 1.00 15.22 C ATOM 14 CG2 ILE A 2 -27.556 2.521 -1.284 1.00 1.41 C ATOM 15 CD1 ILE A 2 -26.465 1.968 1.393 1.00 44.34 C ATOM 0 H ILE A 2 -27.120 -0.533 -1.813 1.00 11.12 H new ATOM 0 HA ILE A 2 -25.677 1.709 -3.150 1.00 24.00 H new ATOM 0 HB ILE A 2 -25.453 2.716 -1.054 1.00 13.01 H new ATOM 0 HG12 ILE A 2 -26.689 0.223 0.145 1.00 15.22 H new ATOM 0 HG13 ILE A 2 -25.031 0.761 0.325 1.00 15.22 H new ATOM 0 HG21 ILE A 2 -27.789 3.137 -0.416 1.00 1.41 H new ATOM 0 HG22 ILE A 2 -27.566 3.140 -2.181 1.00 1.41 H new ATOM 0 HG23 ILE A 2 -28.301 1.731 -1.379 1.00 1.41 H new ATOM 0 HD11 ILE A 2 -26.374 1.383 2.308 1.00 44.34 H new ATOM 0 HD12 ILE A 2 -25.814 2.840 1.454 1.00 44.34 H new ATOM 0 HD13 ILE A 2 -27.498 2.294 1.271 1.00 44.34 H new ATOM 27 N GLY A 3 -24.372 -0.824 -2.892 1.00 41.31 N ATOM 28 CA GLY A 3 -23.173 -1.643 -2.837 1.00 1.43 C ATOM 29 C GLY A 3 -21.993 -0.932 -3.503 1.00 41.21 C ATOM 30 O GLY A 3 -20.840 -1.306 -3.295 1.00 3.23 O ATOM 0 H GLY A 3 -25.088 -1.159 -3.537 1.00 41.31 H new ATOM 0 HA2 GLY A 3 -22.928 -1.867 -1.799 1.00 1.43 H new ATOM 0 HA3 GLY A 3 -23.356 -2.596 -3.334 1.00 1.43 H new ATOM 34 N ALA A 4 -22.322 0.081 -4.292 1.00 63.33 N ATOM 35 CA ALA A 4 -21.304 0.847 -4.990 1.00 65.11 C ATOM 36 C ALA A 4 -20.263 1.340 -3.983 1.00 34.30 C ATOM 37 O ALA A 4 -19.065 1.314 -4.261 1.00 74.20 O ATOM 38 CB ALA A 4 -21.965 1.996 -5.755 1.00 45.02 C ATOM 0 H ALA A 4 -23.279 0.389 -4.463 1.00 63.33 H new ATOM 0 HA ALA A 4 -20.787 0.224 -5.720 1.00 65.11 H new ATOM 0 HB1 ALA A 4 -21.201 2.571 -6.279 1.00 45.02 H new ATOM 0 HB2 ALA A 4 -22.674 1.592 -6.477 1.00 45.02 H new ATOM 0 HB3 ALA A 4 -22.491 2.645 -5.054 1.00 45.02 H new ATOM 44 N LEU A 5 -20.757 1.778 -2.835 1.00 73.11 N ATOM 45 CA LEU A 5 -19.884 2.275 -1.785 1.00 64.53 C ATOM 46 C LEU A 5 -18.976 1.143 -1.304 1.00 63.21 C ATOM 47 O LEU A 5 -17.791 1.356 -1.053 1.00 34.25 O ATOM 48 CB LEU A 5 -20.705 2.924 -0.669 1.00 72.12 C ATOM 49 CG LEU A 5 -21.150 4.367 -0.914 1.00 41.03 C ATOM 50 CD1 LEU A 5 -22.525 4.628 -0.297 1.00 2.31 C ATOM 51 CD2 LEU A 5 -20.098 5.357 -0.412 1.00 33.33 C ATOM 0 H LEU A 5 -21.751 1.799 -2.608 1.00 73.11 H new ATOM 0 HA LEU A 5 -19.235 3.062 -2.169 1.00 64.53 H new ATOM 0 HB2 LEU A 5 -21.593 2.315 -0.498 1.00 72.12 H new ATOM 0 HB3 LEU A 5 -20.118 2.897 0.249 1.00 72.12 H new ATOM 0 HG LEU A 5 -21.246 4.518 -1.989 1.00 41.03 H new ATOM 0 HD11 LEU A 5 -22.818 5.661 -0.485 1.00 2.31 H new ATOM 0 HD12 LEU A 5 -23.258 3.956 -0.743 1.00 2.31 H new ATOM 0 HD13 LEU A 5 -22.480 4.454 0.778 1.00 2.31 H new ATOM 0 HD21 LEU A 5 -20.439 6.376 -0.598 1.00 33.33 H new ATOM 0 HD22 LEU A 5 -19.946 5.215 0.658 1.00 33.33 H new ATOM 0 HD23 LEU A 5 -19.158 5.187 -0.938 1.00 33.33 H new ATOM 63 N PHE A 6 -19.566 -0.038 -1.188 1.00 3.13 N ATOM 64 CA PHE A 6 -18.825 -1.205 -0.741 1.00 4.34 C ATOM 65 C PHE A 6 -17.480 -1.310 -1.463 1.00 44.15 C ATOM 66 O PHE A 6 -16.500 -1.787 -0.891 1.00 65.40 O ATOM 67 CB PHE A 6 -19.673 -2.432 -1.083 1.00 3.45 C ATOM 68 CG PHE A 6 -19.480 -3.608 -0.125 1.00 14.51 C ATOM 69 CD1 PHE A 6 -18.491 -4.515 -0.352 1.00 43.32 C ATOM 70 CD2 PHE A 6 -20.296 -3.749 0.953 1.00 4.25 C ATOM 71 CE1 PHE A 6 -18.312 -5.607 0.537 1.00 14.21 C ATOM 72 CE2 PHE A 6 -20.117 -4.841 1.843 1.00 73.02 C ATOM 73 CZ PHE A 6 -19.128 -5.748 1.616 1.00 24.15 C ATOM 0 H PHE A 6 -20.549 -0.212 -1.396 1.00 3.13 H new ATOM 0 HA PHE A 6 -18.628 -1.133 0.329 1.00 4.34 H new ATOM 0 HB2 PHE A 6 -20.725 -2.146 -1.083 1.00 3.45 H new ATOM 0 HB3 PHE A 6 -19.431 -2.757 -2.095 1.00 3.45 H new ATOM 0 HD1 PHE A 6 -17.842 -4.404 -1.208 1.00 43.32 H new ATOM 0 HD2 PHE A 6 -21.081 -3.030 1.133 1.00 4.25 H new ATOM 0 HE1 PHE A 6 -17.527 -6.327 0.356 1.00 14.21 H new ATOM 0 HE2 PHE A 6 -20.765 -4.952 2.700 1.00 73.02 H new ATOM 0 HZ PHE A 6 -18.991 -6.579 2.292 1.00 24.15 H new ATOM 83 N LEU A 7 -17.478 -0.859 -2.709 1.00 12.52 N ATOM 84 CA LEU A 7 -16.269 -0.897 -3.515 1.00 62.30 C ATOM 85 C LEU A 7 -15.228 0.049 -2.911 1.00 51.05 C ATOM 86 O LEU A 7 -14.049 -0.291 -2.831 1.00 43.43 O ATOM 87 CB LEU A 7 -16.594 -0.599 -4.981 1.00 2.52 C ATOM 88 CG LEU A 7 -15.720 -1.307 -6.017 1.00 70.42 C ATOM 89 CD1 LEU A 7 -14.235 -1.081 -5.729 1.00 31.43 C ATOM 90 CD2 LEU A 7 -16.067 -2.795 -6.104 1.00 43.11 C ATOM 0 H LEU A 7 -18.293 -0.466 -3.180 1.00 12.52 H new ATOM 0 HA LEU A 7 -15.835 -1.897 -3.505 1.00 62.30 H new ATOM 0 HB2 LEU A 7 -17.634 -0.871 -5.165 1.00 2.52 H new ATOM 0 HB3 LEU A 7 -16.513 0.476 -5.140 1.00 2.52 H new ATOM 0 HG LEU A 7 -15.928 -0.870 -6.994 1.00 70.42 H new ATOM 0 HD11 LEU A 7 -13.636 -1.595 -6.481 1.00 31.43 H new ATOM 0 HD12 LEU A 7 -14.017 -0.013 -5.759 1.00 31.43 H new ATOM 0 HD13 LEU A 7 -13.992 -1.473 -4.741 1.00 31.43 H new ATOM 0 HD21 LEU A 7 -15.431 -3.274 -6.848 1.00 43.11 H new ATOM 0 HD22 LEU A 7 -15.906 -3.264 -5.133 1.00 43.11 H new ATOM 0 HD23 LEU A 7 -17.112 -2.909 -6.393 1.00 43.11 H new ATOM 102 N GLY A 8 -15.702 1.216 -2.502 1.00 63.03 N ATOM 103 CA GLY A 8 -14.828 2.213 -1.908 1.00 54.00 C ATOM 104 C GLY A 8 -14.076 1.636 -0.707 1.00 1.21 C ATOM 105 O GLY A 8 -12.967 2.069 -0.398 1.00 71.21 O ATOM 0 H GLY A 8 -16.681 1.494 -2.570 1.00 63.03 H new ATOM 0 HA2 GLY A 8 -14.115 2.567 -2.653 1.00 54.00 H new ATOM 0 HA3 GLY A 8 -15.415 3.076 -1.594 1.00 54.00 H new ATOM 109 N PHE A 9 -14.710 0.668 -0.062 1.00 4.31 N ATOM 110 CA PHE A 9 -14.115 0.029 1.099 1.00 61.45 C ATOM 111 C PHE A 9 -12.778 -0.625 0.740 1.00 62.22 C ATOM 112 O PHE A 9 -11.754 -0.327 1.353 1.00 54.35 O ATOM 113 CB PHE A 9 -15.091 -1.056 1.561 1.00 14.44 C ATOM 114 CG PHE A 9 -15.098 -1.282 3.075 1.00 22.34 C ATOM 115 CD1 PHE A 9 -14.757 -2.496 3.582 1.00 40.42 C ATOM 116 CD2 PHE A 9 -15.447 -0.268 3.912 1.00 0.14 C ATOM 117 CE1 PHE A 9 -14.764 -2.705 4.987 1.00 53.33 C ATOM 118 CE2 PHE A 9 -15.455 -0.478 5.316 1.00 13.13 C ATOM 119 CZ PHE A 9 -15.112 -1.692 5.824 1.00 65.23 C ATOM 0 H PHE A 9 -15.630 0.311 -0.321 1.00 4.31 H new ATOM 0 HA PHE A 9 -13.930 0.769 1.877 1.00 61.45 H new ATOM 0 HB2 PHE A 9 -16.097 -0.786 1.239 1.00 14.44 H new ATOM 0 HB3 PHE A 9 -14.838 -1.993 1.065 1.00 14.44 H new ATOM 0 HD1 PHE A 9 -14.481 -3.301 2.917 1.00 40.42 H new ATOM 0 HD2 PHE A 9 -15.718 0.696 3.509 1.00 0.14 H new ATOM 0 HE1 PHE A 9 -14.493 -3.669 5.390 1.00 53.33 H new ATOM 0 HE2 PHE A 9 -15.733 0.326 5.981 1.00 13.13 H new ATOM 0 HZ PHE A 9 -15.116 -1.851 6.892 1.00 65.23 H new ATOM 129 N LEU A 10 -12.832 -1.502 -0.251 1.00 44.14 N ATOM 130 CA LEU A 10 -11.639 -2.200 -0.698 1.00 34.11 C ATOM 131 C LEU A 10 -10.677 -1.197 -1.338 1.00 43.20 C ATOM 132 O LEU A 10 -9.464 -1.295 -1.162 1.00 13.42 O ATOM 133 CB LEU A 10 -12.012 -3.365 -1.617 1.00 52.24 C ATOM 134 CG LEU A 10 -13.098 -4.309 -1.096 1.00 51.32 C ATOM 135 CD1 LEU A 10 -14.288 -4.360 -2.056 1.00 0.12 C ATOM 136 CD2 LEU A 10 -12.527 -5.701 -0.816 1.00 14.03 C ATOM 0 H LEU A 10 -13.683 -1.745 -0.757 1.00 44.14 H new ATOM 0 HA LEU A 10 -11.119 -2.646 0.150 1.00 34.11 H new ATOM 0 HB2 LEU A 10 -12.341 -2.957 -2.573 1.00 52.24 H new ATOM 0 HB3 LEU A 10 -11.113 -3.950 -1.812 1.00 52.24 H new ATOM 0 HG LEU A 10 -13.466 -3.915 -0.148 1.00 51.32 H new ATOM 0 HD11 LEU A 10 -15.045 -5.038 -1.662 1.00 0.12 H new ATOM 0 HD12 LEU A 10 -14.714 -3.362 -2.161 1.00 0.12 H new ATOM 0 HD13 LEU A 10 -13.954 -4.716 -3.031 1.00 0.12 H new ATOM 0 HD21 LEU A 10 -13.320 -6.352 -0.447 1.00 14.03 H new ATOM 0 HD22 LEU A 10 -12.115 -6.117 -1.735 1.00 14.03 H new ATOM 0 HD23 LEU A 10 -11.739 -5.627 -0.066 1.00 14.03 H new ATOM 148 N GLY A 11 -11.255 -0.254 -2.068 1.00 20.41 N ATOM 149 CA GLY A 11 -10.464 0.766 -2.736 1.00 13.44 C ATOM 150 C GLY A 11 -9.561 1.498 -1.739 1.00 33.50 C ATOM 151 O GLY A 11 -8.362 1.643 -1.974 1.00 51.52 O ATOM 0 H GLY A 11 -12.262 -0.175 -2.212 1.00 20.41 H new ATOM 0 HA2 GLY A 11 -9.855 0.307 -3.515 1.00 13.44 H new ATOM 0 HA3 GLY A 11 -11.125 1.481 -3.227 1.00 13.44 H new ATOM 155 N ALA A 12 -10.172 1.939 -0.650 1.00 74.11 N ATOM 156 CA ALA A 12 -9.438 2.652 0.382 1.00 54.51 C ATOM 157 C ALA A 12 -8.443 1.697 1.047 1.00 24.21 C ATOM 158 O ALA A 12 -7.323 2.089 1.370 1.00 62.00 O ATOM 159 CB ALA A 12 -10.424 3.257 1.384 1.00 72.01 C ATOM 0 H ALA A 12 -11.167 1.817 -0.459 1.00 74.11 H new ATOM 0 HA ALA A 12 -8.867 3.474 -0.051 1.00 54.51 H new ATOM 0 HB1 ALA A 12 -9.874 3.792 2.158 1.00 72.01 H new ATOM 0 HB2 ALA A 12 -11.089 3.949 0.867 1.00 72.01 H new ATOM 0 HB3 ALA A 12 -11.012 2.461 1.841 1.00 72.01 H new ATOM 165 N ALA A 13 -8.890 0.464 1.232 1.00 72.14 N ATOM 166 CA ALA A 13 -8.054 -0.549 1.852 1.00 53.54 C ATOM 167 C ALA A 13 -6.853 -0.837 0.948 1.00 61.31 C ATOM 168 O ALA A 13 -5.785 -1.211 1.429 1.00 15.23 O ATOM 169 CB ALA A 13 -8.889 -1.802 2.128 1.00 12.35 C ATOM 0 H ALA A 13 -9.820 0.144 0.963 1.00 72.14 H new ATOM 0 HA ALA A 13 -7.670 -0.196 2.809 1.00 53.54 H new ATOM 0 HB1 ALA A 13 -8.262 -2.562 2.593 1.00 12.35 H new ATOM 0 HB2 ALA A 13 -9.712 -1.551 2.798 1.00 12.35 H new ATOM 0 HB3 ALA A 13 -9.289 -2.186 1.190 1.00 12.35 H new ATOM 175 N GLY A 14 -7.069 -0.652 -0.346 1.00 5.23 N ATOM 176 CA GLY A 14 -6.018 -0.887 -1.321 1.00 70.34 C ATOM 177 C GLY A 14 -4.887 0.130 -1.163 1.00 31.03 C ATOM 178 O GLY A 14 -3.732 -0.246 -0.966 1.00 31.12 O ATOM 0 H GLY A 14 -7.956 -0.342 -0.742 1.00 5.23 H new ATOM 0 HA2 GLY A 14 -5.624 -1.896 -1.200 1.00 70.34 H new ATOM 0 HA3 GLY A 14 -6.430 -0.824 -2.328 1.00 70.34 H new ATOM 182 N SER A 15 -5.257 1.399 -1.255 1.00 72.14 N ATOM 183 CA SER A 15 -4.287 2.473 -1.125 1.00 41.04 C ATOM 184 C SER A 15 -3.415 2.243 0.111 1.00 11.23 C ATOM 185 O SER A 15 -2.201 2.442 0.065 1.00 62.35 O ATOM 186 CB SER A 15 -4.980 3.834 -1.039 1.00 61.51 C ATOM 187 OG SER A 15 -4.195 4.791 -0.333 1.00 52.15 O ATOM 0 H SER A 15 -6.215 1.708 -1.418 1.00 72.14 H new ATOM 0 HA SER A 15 -3.655 2.473 -2.013 1.00 41.04 H new ATOM 0 HB2 SER A 15 -5.181 4.202 -2.045 1.00 61.51 H new ATOM 0 HB3 SER A 15 -5.944 3.719 -0.543 1.00 61.51 H new ATOM 0 HG SER A 15 -4.672 5.646 -0.302 1.00 52.15 H new ATOM 193 N LYS A 16 -4.067 1.829 1.187 1.00 42.24 N ATOM 194 CA LYS A 16 -3.366 1.570 2.434 1.00 24.13 C ATOM 195 C LYS A 16 -2.482 0.332 2.269 1.00 1.44 C ATOM 196 O LYS A 16 -1.262 0.446 2.159 1.00 44.04 O ATOM 197 CB LYS A 16 -4.357 1.468 3.595 1.00 51.23 C ATOM 198 CG LYS A 16 -5.226 2.724 3.686 1.00 73.51 C ATOM 199 CD LYS A 16 -6.563 2.419 4.365 1.00 73.34 C ATOM 200 CE LYS A 16 -6.347 1.736 5.716 1.00 0.41 C ATOM 201 NZ LYS A 16 -7.438 2.085 6.654 1.00 1.14 N ATOM 0 H LYS A 16 -5.073 1.666 1.222 1.00 42.24 H new ATOM 0 HA LYS A 16 -2.707 2.402 2.681 1.00 24.13 H new ATOM 0 HB2 LYS A 16 -4.991 0.592 3.461 1.00 51.23 H new ATOM 0 HB3 LYS A 16 -3.814 1.328 4.530 1.00 51.23 H new ATOM 0 HG2 LYS A 16 -4.698 3.496 4.246 1.00 73.51 H new ATOM 0 HG3 LYS A 16 -5.404 3.120 2.686 1.00 73.51 H new ATOM 0 HD2 LYS A 16 -7.123 3.344 4.506 1.00 73.34 H new ATOM 0 HD3 LYS A 16 -7.164 1.777 3.721 1.00 73.34 H new ATOM 0 HE2 LYS A 16 -6.307 0.655 5.581 1.00 0.41 H new ATOM 0 HE3 LYS A 16 -5.388 2.041 6.135 1.00 0.41 H new ATOM 0 HZ1 LYS A 16 -7.276 1.613 7.566 1.00 1.14 H new ATOM 0 HZ2 LYS A 16 -7.458 3.115 6.796 1.00 1.14 H new ATOM 0 HZ3 LYS A 16 -8.348 1.773 6.260 1.00 1.14 H new ATOM 214 N LYS A 17 -3.132 -0.823 2.258 1.00 65.41 N ATOM 215 CA LYS A 17 -2.421 -2.080 2.108 1.00 52.52 C ATOM 216 C LYS A 17 -2.695 -2.656 0.717 1.00 2.14 C ATOM 217 O LYS A 17 -2.104 -2.216 -0.267 1.00 22.35 O ATOM 218 CB LYS A 17 -2.776 -3.036 3.250 1.00 13.42 C ATOM 219 CG LYS A 17 -4.240 -2.876 3.663 1.00 62.15 C ATOM 220 CD LYS A 17 -4.410 -1.716 4.646 1.00 32.31 C ATOM 221 CE LYS A 17 -4.455 -2.222 6.089 1.00 63.45 C ATOM 222 NZ LYS A 17 -3.195 -1.899 6.792 1.00 20.22 N ATOM 0 H LYS A 17 -4.144 -0.914 2.351 1.00 65.41 H new ATOM 0 HA LYS A 17 -1.345 -1.919 2.179 1.00 52.52 H new ATOM 0 HB2 LYS A 17 -2.592 -4.064 2.939 1.00 13.42 H new ATOM 0 HB3 LYS A 17 -2.130 -2.842 4.106 1.00 13.42 H new ATOM 0 HG2 LYS A 17 -4.854 -2.701 2.779 1.00 62.15 H new ATOM 0 HG3 LYS A 17 -4.595 -3.799 4.120 1.00 62.15 H new ATOM 0 HD2 LYS A 17 -3.586 -1.012 4.529 1.00 32.31 H new ATOM 0 HD3 LYS A 17 -5.327 -1.173 4.418 1.00 32.31 H new ATOM 0 HE2 LYS A 17 -5.297 -1.769 6.613 1.00 63.45 H new ATOM 0 HE3 LYS A 17 -4.617 -3.300 6.097 1.00 63.45 H new ATOM 0 HZ1 LYS A 17 -3.243 -2.250 7.770 1.00 20.22 H new ATOM 0 HZ2 LYS A 17 -2.398 -2.351 6.301 1.00 20.22 H new ATOM 0 HZ3 LYS A 17 -3.057 -0.868 6.800 1.00 20.22 H new HETATM 235 C1 ACA A 18 -0.479 -6.916 -4.093 1.00 3.45 C HETATM 236 O1 ACA A 18 -0.400 -8.097 -3.761 1.00 61.23 O HETATM 237 C2 ACA A 18 -0.699 -6.252 -2.788 1.00 2.33 C HETATM 238 C3 ACA A 18 -2.064 -6.638 -2.214 1.00 23.34 C HETATM 239 C4 ACA A 18 -2.232 -6.099 -0.791 1.00 63.45 C HETATM 240 C5 ACA A 18 -3.699 -5.775 -0.497 1.00 74.34 C HETATM 241 C6 ACA A 18 -3.953 -4.269 -0.573 1.00 1.22 C HETATM 242 N6 ACA A 18 -3.593 -3.630 0.681 1.00 1.42 N HETATM 0 H62 ACA A 18 -3.373 -3.837 -1.388 1.00 1.22 H new HETATM 0 H61 ACA A 18 -5.004 -4.082 -0.795 1.00 1.22 H new HETATM 0 H52 ACA A 18 -4.340 -6.292 -1.211 1.00 74.34 H new HETATM 0 H51 ACA A 18 -3.965 -6.143 0.494 1.00 74.34 H new HETATM 0 H42 ACA A 18 -1.868 -6.835 -0.074 1.00 63.45 H new HETATM 0 H41 ACA A 18 -1.625 -5.202 -0.664 1.00 63.45 H new HETATM 0 H32 ACA A 18 -2.855 -6.244 -2.852 1.00 23.34 H new HETATM 0 H31 ACA A 18 -2.168 -7.723 -2.211 1.00 23.34 H new HETATM 0 H22 ACA A 18 0.089 -6.537 -2.091 1.00 2.33 H new HETATM 0 H21 ACA A 18 -0.642 -5.170 -2.909 1.00 2.33 H new ATOM 254 N LYS A 19 -1.292 -6.451 -5.029 1.00 43.01 N ATOM 255 CA LYS A 19 -2.181 -7.342 -5.757 1.00 32.13 C ATOM 256 C LYS A 19 -1.363 -8.481 -6.369 1.00 70.24 C ATOM 257 O LYS A 19 -1.396 -9.608 -5.877 1.00 61.21 O ATOM 258 CB LYS A 19 -3.005 -6.558 -6.780 1.00 34.23 C ATOM 259 CG LYS A 19 -3.526 -5.251 -6.179 1.00 14.13 C ATOM 260 CD LYS A 19 -4.975 -4.995 -6.596 1.00 1.32 C ATOM 261 CE LYS A 19 -5.047 -3.972 -7.732 1.00 52.04 C ATOM 262 NZ LYS A 19 -6.454 -3.712 -8.107 1.00 5.44 N ATOM 0 HA LYS A 19 -2.905 -7.796 -5.080 1.00 32.13 H new ATOM 0 HB2 LYS A 19 -2.393 -6.341 -7.656 1.00 34.23 H new ATOM 0 HB3 LYS A 19 -3.844 -7.166 -7.120 1.00 34.23 H new ATOM 0 HG2 LYS A 19 -3.459 -5.294 -5.092 1.00 14.13 H new ATOM 0 HG3 LYS A 19 -2.898 -4.421 -6.504 1.00 14.13 H new ATOM 0 HD2 LYS A 19 -5.436 -5.930 -6.914 1.00 1.32 H new ATOM 0 HD3 LYS A 19 -5.545 -4.634 -5.740 1.00 1.32 H new ATOM 0 HE2 LYS A 19 -4.569 -3.042 -7.423 1.00 52.04 H new ATOM 0 HE3 LYS A 19 -4.496 -4.341 -8.597 1.00 52.04 H new ATOM 0 HZ1 LYS A 19 -6.485 -3.016 -8.879 1.00 5.44 H new ATOM 0 HZ2 LYS A 19 -6.899 -4.598 -8.422 1.00 5.44 H new ATOM 0 HZ3 LYS A 19 -6.969 -3.339 -7.284 1.00 5.44 H new ATOM 275 N ASN A 20 -0.649 -8.149 -7.435 1.00 21.22 N ATOM 276 CA ASN A 20 0.175 -9.130 -8.120 1.00 43.32 C ATOM 277 C ASN A 20 1.535 -8.509 -8.446 1.00 50.51 C ATOM 278 O ASN A 20 1.606 -7.443 -9.055 1.00 64.44 O ATOM 279 CB ASN A 20 -0.471 -9.570 -9.435 1.00 52.41 C ATOM 280 CG ASN A 20 -1.185 -10.914 -9.273 1.00 2.43 C ATOM 281 OD1 ASN A 20 -1.711 -11.243 -8.223 1.00 64.31 O ATOM 282 ND2 ASN A 20 -1.172 -11.669 -10.368 1.00 25.04 N ATOM 0 H ASN A 20 -0.624 -7.214 -7.841 1.00 21.22 H new ATOM 0 HA ASN A 20 0.285 -9.994 -7.465 1.00 43.32 H new ATOM 0 HB2 ASN A 20 -1.183 -8.814 -9.765 1.00 52.41 H new ATOM 0 HB3 ASN A 20 0.291 -9.650 -10.210 1.00 52.41 H new ATOM 0 HD21 ASN A 20 -1.621 -12.585 -10.361 1.00 25.04 H new ATOM 0 HD22 ASN A 20 -0.713 -11.332 -11.214 1.00 25.04 H new ATOM 289 N GLU A 21 2.582 -9.203 -8.024 1.00 12.53 N ATOM 290 CA GLU A 21 3.936 -8.733 -8.263 1.00 14.34 C ATOM 291 C GLU A 21 4.229 -8.698 -9.764 1.00 72.32 C ATOM 292 O GLU A 21 4.992 -7.855 -10.233 1.00 2.34 O ATOM 293 CB GLU A 21 4.957 -9.604 -7.526 1.00 25.42 C ATOM 294 CG GLU A 21 6.363 -9.011 -7.637 1.00 51.42 C ATOM 295 CD GLU A 21 6.787 -8.355 -6.321 1.00 55.02 C ATOM 296 OE1 GLU A 21 6.123 -7.418 -5.854 1.00 11.34 O ATOM 297 OE2 GLU A 21 7.847 -8.854 -5.780 1.00 24.51 O ATOM 0 H GLU A 21 2.520 -10.087 -7.518 1.00 12.53 H new ATOM 0 HA GLU A 21 4.022 -7.719 -7.872 1.00 14.34 H new ATOM 0 HB2 GLU A 21 4.676 -9.691 -6.476 1.00 25.42 H new ATOM 0 HB3 GLU A 21 4.949 -10.611 -7.942 1.00 25.42 H new ATOM 0 HG2 GLU A 21 7.072 -9.795 -7.902 1.00 51.42 H new ATOM 0 HG3 GLU A 21 6.388 -8.274 -8.440 1.00 51.42 H new ATOM 305 N GLN A 22 3.606 -9.625 -10.477 1.00 74.31 N ATOM 306 CA GLN A 22 3.790 -9.711 -11.916 1.00 31.40 C ATOM 307 C GLN A 22 3.243 -8.454 -12.598 1.00 53.31 C ATOM 308 O GLN A 22 3.959 -7.787 -13.343 1.00 74.42 O ATOM 309 CB GLN A 22 3.129 -10.971 -12.480 1.00 2.13 C ATOM 310 CG GLN A 22 4.042 -12.187 -12.319 1.00 10.40 C ATOM 311 CD GLN A 22 3.863 -13.165 -13.482 1.00 51.20 C ATOM 312 OE1 GLN A 22 4.679 -13.252 -14.385 1.00 61.44 O ATOM 313 NE2 GLN A 22 2.753 -13.895 -13.410 1.00 1.34 N ATOM 0 H GLN A 22 2.974 -10.323 -10.085 1.00 74.31 H new ATOM 0 HA GLN A 22 4.858 -9.777 -12.122 1.00 31.40 H new ATOM 0 HB2 GLN A 22 2.184 -11.151 -11.967 1.00 2.13 H new ATOM 0 HB3 GLN A 22 2.897 -10.823 -13.535 1.00 2.13 H new ATOM 0 HG2 GLN A 22 5.081 -11.862 -12.269 1.00 10.40 H new ATOM 0 HG3 GLN A 22 3.820 -12.691 -11.378 1.00 10.40 H new ATOM 0 HE21 GLN A 22 2.112 -13.772 -12.626 1.00 1.34 H new ATOM 0 HE22 GLN A 22 2.543 -14.577 -14.138 1.00 1.34 H new ATOM 322 N GLU A 23 1.981 -8.169 -12.316 1.00 71.40 N ATOM 323 CA GLU A 23 1.331 -7.005 -12.892 1.00 24.04 C ATOM 324 C GLU A 23 2.139 -5.741 -12.590 1.00 31.13 C ATOM 325 O GLU A 23 2.174 -4.813 -13.397 1.00 63.15 O ATOM 326 CB GLU A 23 -0.106 -6.870 -12.382 1.00 63.41 C ATOM 327 CG GLU A 23 -0.949 -8.078 -12.796 1.00 61.53 C ATOM 328 CD GLU A 23 -2.330 -7.641 -13.287 1.00 24.55 C ATOM 329 OE1 GLU A 23 -3.342 -7.933 -12.633 1.00 22.11 O ATOM 330 OE2 GLU A 23 -2.331 -6.972 -14.390 1.00 32.01 O ATOM 0 H GLU A 23 1.391 -8.724 -11.696 1.00 71.40 H new ATOM 0 HA GLU A 23 1.288 -7.136 -13.973 1.00 24.04 H new ATOM 0 HB2 GLU A 23 -0.103 -6.779 -11.296 1.00 63.41 H new ATOM 0 HB3 GLU A 23 -0.552 -5.958 -12.778 1.00 63.41 H new ATOM 0 HG2 GLU A 23 -0.437 -8.630 -13.584 1.00 61.53 H new ATOM 0 HG3 GLU A 23 -1.058 -8.757 -11.950 1.00 61.53 H new ATOM 338 N LEU A 24 2.771 -5.746 -11.425 1.00 5.04 N ATOM 339 CA LEU A 24 3.577 -4.612 -11.006 1.00 0.32 C ATOM 340 C LEU A 24 4.888 -4.605 -11.795 1.00 24.14 C ATOM 341 O LEU A 24 5.388 -3.543 -12.163 1.00 13.30 O ATOM 342 CB LEU A 24 3.772 -4.625 -9.488 1.00 20.52 C ATOM 343 CG LEU A 24 3.844 -3.255 -8.809 1.00 32.51 C ATOM 344 CD1 LEU A 24 2.842 -3.161 -7.658 1.00 21.43 C ATOM 345 CD2 LEU A 24 5.271 -2.943 -8.356 1.00 3.54 C ATOM 0 H LEU A 24 2.741 -6.517 -10.758 1.00 5.04 H new ATOM 0 HA LEU A 24 3.065 -3.676 -11.230 1.00 0.32 H new ATOM 0 HB2 LEU A 24 2.952 -5.187 -9.041 1.00 20.52 H new ATOM 0 HB3 LEU A 24 4.690 -5.168 -9.264 1.00 20.52 H new ATOM 0 HG LEU A 24 3.566 -2.495 -9.540 1.00 32.51 H new ATOM 0 HD11 LEU A 24 2.914 -2.178 -7.193 1.00 21.43 H new ATOM 0 HD12 LEU A 24 1.832 -3.308 -8.042 1.00 21.43 H new ATOM 0 HD13 LEU A 24 3.065 -3.930 -6.918 1.00 21.43 H new ATOM 0 HD21 LEU A 24 5.295 -1.964 -7.877 1.00 3.54 H new ATOM 0 HD22 LEU A 24 5.602 -3.702 -7.647 1.00 3.54 H new ATOM 0 HD23 LEU A 24 5.935 -2.940 -9.221 1.00 3.54 H new ATOM 357 N LEU A 25 5.406 -5.801 -12.031 1.00 1.11 N ATOM 358 CA LEU A 25 6.649 -5.946 -12.769 1.00 23.11 C ATOM 359 C LEU A 25 6.400 -5.629 -14.245 1.00 52.11 C ATOM 360 O LEU A 25 7.312 -5.211 -14.956 1.00 52.11 O ATOM 361 CB LEU A 25 7.255 -7.330 -12.531 1.00 23.12 C ATOM 362 CG LEU A 25 8.370 -7.748 -13.492 1.00 54.12 C ATOM 363 CD1 LEU A 25 9.710 -7.858 -12.762 1.00 4.23 C ATOM 364 CD2 LEU A 25 8.008 -9.042 -14.222 1.00 74.25 C ATOM 0 H LEU A 25 4.987 -6.679 -11.724 1.00 1.11 H new ATOM 0 HA LEU A 25 7.391 -5.233 -12.410 1.00 23.11 H new ATOM 0 HB2 LEU A 25 7.647 -7.363 -11.515 1.00 23.12 H new ATOM 0 HB3 LEU A 25 6.456 -8.069 -12.589 1.00 23.12 H new ATOM 0 HG LEU A 25 8.478 -6.971 -14.249 1.00 54.12 H new ATOM 0 HD11 LEU A 25 10.485 -8.156 -13.468 1.00 4.23 H new ATOM 0 HD12 LEU A 25 9.968 -6.892 -12.327 1.00 4.23 H new ATOM 0 HD13 LEU A 25 9.633 -8.604 -11.971 1.00 4.23 H new ATOM 0 HD21 LEU A 25 8.817 -9.317 -14.899 1.00 74.25 H new ATOM 0 HD22 LEU A 25 7.856 -9.840 -13.495 1.00 74.25 H new ATOM 0 HD23 LEU A 25 7.092 -8.893 -14.794 1.00 74.25 H new ATOM 376 N GLU A 26 5.160 -5.839 -14.662 1.00 72.44 N ATOM 377 CA GLU A 26 4.780 -5.582 -16.041 1.00 2.02 C ATOM 378 C GLU A 26 5.037 -4.116 -16.397 1.00 4.51 C ATOM 379 O GLU A 26 5.496 -3.812 -17.496 1.00 64.41 O ATOM 380 CB GLU A 26 3.317 -5.958 -16.285 1.00 34.21 C ATOM 381 CG GLU A 26 3.073 -6.278 -17.761 1.00 52.21 C ATOM 382 CD GLU A 26 1.621 -6.697 -17.999 1.00 25.43 C ATOM 383 OE1 GLU A 26 1.288 -7.883 -17.861 1.00 64.33 O ATOM 384 OE2 GLU A 26 0.825 -5.739 -18.337 1.00 52.40 O ATOM 0 H GLU A 26 4.405 -6.184 -14.069 1.00 72.44 H new ATOM 0 HA GLU A 26 5.394 -6.206 -16.690 1.00 2.02 H new ATOM 0 HB2 GLU A 26 3.052 -6.821 -15.673 1.00 34.21 H new ATOM 0 HB3 GLU A 26 2.670 -5.137 -15.975 1.00 34.21 H new ATOM 0 HG2 GLU A 26 3.308 -5.405 -18.370 1.00 52.21 H new ATOM 0 HG3 GLU A 26 3.743 -7.077 -18.079 1.00 52.21 H new ATOM 392 N LEU A 27 4.729 -3.246 -15.444 1.00 75.34 N ATOM 393 CA LEU A 27 4.921 -1.820 -15.644 1.00 45.33 C ATOM 394 C LEU A 27 6.408 -1.535 -15.861 1.00 1.33 C ATOM 395 O LEU A 27 6.767 -0.623 -16.604 1.00 64.03 O ATOM 396 CB LEU A 27 4.304 -1.031 -14.488 1.00 23.34 C ATOM 397 CG LEU A 27 3.645 0.300 -14.860 1.00 43.23 C ATOM 398 CD1 LEU A 27 4.645 1.234 -15.544 1.00 23.41 C ATOM 399 CD2 LEU A 27 2.396 0.073 -15.713 1.00 71.03 C ATOM 0 H LEU A 27 4.348 -3.502 -14.533 1.00 75.34 H new ATOM 0 HA LEU A 27 4.400 -1.486 -16.541 1.00 45.33 H new ATOM 0 HB2 LEU A 27 3.558 -1.660 -14.002 1.00 23.34 H new ATOM 0 HB3 LEU A 27 5.083 -0.835 -13.752 1.00 23.34 H new ATOM 0 HG LEU A 27 3.323 0.791 -13.942 1.00 43.23 H new ATOM 0 HD11 LEU A 27 4.152 2.172 -15.798 1.00 23.41 H new ATOM 0 HD12 LEU A 27 5.478 1.433 -14.869 1.00 23.41 H new ATOM 0 HD13 LEU A 27 5.019 0.763 -16.453 1.00 23.41 H new ATOM 0 HD21 LEU A 27 1.947 1.034 -15.964 1.00 71.03 H new ATOM 0 HD22 LEU A 27 2.671 -0.449 -16.629 1.00 71.03 H new ATOM 0 HD23 LEU A 27 1.678 -0.528 -15.155 1.00 71.03 H new ATOM 411 N ASP A 28 7.232 -2.331 -15.197 1.00 13.31 N ATOM 412 CA ASP A 28 8.673 -2.176 -15.308 1.00 10.42 C ATOM 413 C ASP A 28 9.081 -2.275 -16.778 1.00 33.04 C ATOM 414 O ASP A 28 9.866 -1.461 -17.265 1.00 54.41 O ATOM 415 CB ASP A 28 9.406 -3.277 -14.538 1.00 33.12 C ATOM 416 CG ASP A 28 10.878 -2.985 -14.237 1.00 74.00 C ATOM 417 OD1 ASP A 28 11.408 -1.926 -14.606 1.00 74.24 O ATOM 418 OD2 ASP A 28 11.495 -3.912 -13.586 1.00 32.11 O ATOM 0 H ASP A 28 6.930 -3.085 -14.580 1.00 13.31 H new ATOM 0 HA ASP A 28 8.941 -1.205 -14.891 1.00 10.42 H new ATOM 0 HB2 ASP A 28 8.885 -3.449 -13.596 1.00 33.12 H new ATOM 0 HB3 ASP A 28 9.344 -4.203 -15.110 1.00 33.12 H new ATOM 424 N LYS A 29 8.530 -3.277 -17.446 1.00 75.22 N ATOM 425 CA LYS A 29 8.827 -3.493 -18.853 1.00 40.32 C ATOM 426 C LYS A 29 8.092 -2.445 -19.690 1.00 71.23 C ATOM 427 O LYS A 29 8.583 -2.027 -20.737 1.00 62.31 O ATOM 428 CB LYS A 29 8.510 -4.935 -19.252 1.00 25.03 C ATOM 429 CG LYS A 29 9.098 -5.926 -18.245 1.00 62.12 C ATOM 430 CD LYS A 29 8.669 -7.358 -18.572 1.00 14.54 C ATOM 431 CE LYS A 29 9.425 -7.893 -19.790 1.00 31.33 C ATOM 432 NZ LYS A 29 8.552 -7.886 -20.984 1.00 74.25 N ATOM 0 H LYS A 29 7.879 -3.949 -17.040 1.00 75.22 H new ATOM 0 HA LYS A 29 9.892 -3.363 -19.043 1.00 40.32 H new ATOM 0 HB2 LYS A 29 7.430 -5.070 -19.312 1.00 25.03 H new ATOM 0 HB3 LYS A 29 8.912 -5.138 -20.244 1.00 25.03 H new ATOM 0 HG2 LYS A 29 10.186 -5.857 -18.254 1.00 62.12 H new ATOM 0 HG3 LYS A 29 8.771 -5.665 -17.239 1.00 62.12 H new ATOM 0 HD2 LYS A 29 8.855 -8.002 -17.713 1.00 14.54 H new ATOM 0 HD3 LYS A 29 7.596 -7.385 -18.765 1.00 14.54 H new ATOM 0 HE2 LYS A 29 10.309 -7.282 -19.974 1.00 31.33 H new ATOM 0 HE3 LYS A 29 9.774 -8.907 -19.593 1.00 31.33 H new ATOM 0 HZ1 LYS A 29 9.118 -8.105 -21.829 1.00 74.25 H new ATOM 0 HZ2 LYS A 29 7.805 -8.601 -20.872 1.00 74.25 H new ATOM 0 HZ3 LYS A 29 8.119 -6.947 -21.092 1.00 74.25 H new ATOM 445 N TRP A 30 6.926 -2.053 -19.199 1.00 33.12 N ATOM 446 CA TRP A 30 6.117 -1.063 -19.890 1.00 33.20 C ATOM 447 C TRP A 30 6.898 0.254 -19.911 1.00 42.13 C ATOM 448 O TRP A 30 6.694 1.086 -20.793 1.00 43.30 O ATOM 449 CB TRP A 30 4.739 -0.929 -19.240 1.00 54.31 C ATOM 450 CG TRP A 30 3.717 -0.177 -20.095 1.00 75.20 C ATOM 451 CD1 TRP A 30 2.673 -0.681 -20.766 1.00 70.41 C ATOM 452 CD2 TRP A 30 3.685 1.244 -20.346 1.00 14.53 C ATOM 453 NE1 TRP A 30 1.973 0.308 -21.428 1.00 72.34 N ATOM 454 CE2 TRP A 30 2.609 1.515 -21.164 1.00 43.32 C ATOM 455 CE3 TRP A 30 4.539 2.266 -19.894 1.00 74.43 C ATOM 456 CZ2 TRP A 30 2.285 2.805 -21.603 1.00 73.45 C ATOM 457 CZ3 TRP A 30 4.202 3.549 -20.343 1.00 32.14 C ATOM 458 CH2 TRP A 30 3.122 3.839 -21.167 1.00 61.54 C ATOM 0 H TRP A 30 6.522 -2.403 -18.330 1.00 33.12 H new ATOM 0 HA TRP A 30 5.925 -1.372 -20.918 1.00 33.20 H new ATOM 0 HB2 TRP A 30 4.353 -1.925 -19.023 1.00 54.31 H new ATOM 0 HB3 TRP A 30 4.848 -0.414 -18.285 1.00 54.31 H new ATOM 0 HD1 TRP A 30 2.412 -1.729 -20.787 1.00 70.41 H new ATOM 0 HE1 TRP A 30 1.142 0.177 -22.005 1.00 72.34 H new ATOM 0 HE3 TRP A 30 5.387 2.077 -19.252 1.00 74.43 H new ATOM 0 HZ2 TRP A 30 1.435 2.992 -22.243 1.00 73.45 H new ATOM 0 HZ3 TRP A 30 4.826 4.371 -20.026 1.00 32.14 H new ATOM 0 HH2 TRP A 30 2.929 4.858 -21.470 1.00 61.54 H new ATOM 469 N ALA A 31 7.776 0.399 -18.930 1.00 3.14 N ATOM 470 CA ALA A 31 8.588 1.599 -18.824 1.00 21.35 C ATOM 471 C ALA A 31 9.375 1.792 -20.122 1.00 1.45 C ATOM 472 O ALA A 31 9.674 2.922 -20.509 1.00 52.51 O ATOM 473 CB ALA A 31 9.498 1.495 -17.599 1.00 55.12 C ATOM 0 H ALA A 31 7.943 -0.295 -18.201 1.00 3.14 H new ATOM 0 HA ALA A 31 7.958 2.478 -18.686 1.00 21.35 H new ATOM 0 HB1 ALA A 31 10.107 2.396 -17.520 1.00 55.12 H new ATOM 0 HB2 ALA A 31 8.889 1.389 -16.701 1.00 55.12 H new ATOM 0 HB3 ALA A 31 10.148 0.626 -17.701 1.00 55.12 H new ATOM 479 N SER A 32 9.690 0.674 -20.757 1.00 32.00 N ATOM 480 CA SER A 32 10.438 0.706 -22.003 1.00 40.35 C ATOM 481 C SER A 32 9.749 1.638 -23.003 1.00 54.51 C ATOM 482 O SER A 32 10.412 2.277 -23.817 1.00 32.41 O ATOM 483 CB SER A 32 10.579 -0.698 -22.596 1.00 33.05 C ATOM 484 OG SER A 32 11.638 -0.771 -23.547 1.00 72.10 O ATOM 0 H SER A 32 9.441 -0.261 -20.433 1.00 32.00 H new ATOM 0 HA SER A 32 11.438 1.085 -21.793 1.00 40.35 H new ATOM 0 HB2 SER A 32 10.761 -1.414 -21.794 1.00 33.05 H new ATOM 0 HB3 SER A 32 9.642 -0.986 -23.073 1.00 33.05 H new ATOM 0 HG SER A 32 11.697 -1.683 -23.902 1.00 72.10 H new ATOM 490 N LEU A 33 8.428 1.684 -22.907 1.00 14.12 N ATOM 491 CA LEU A 33 7.643 2.527 -23.793 1.00 54.41 C ATOM 492 C LEU A 33 8.179 3.958 -23.735 1.00 33.03 C ATOM 493 O LEU A 33 8.348 4.604 -24.768 1.00 24.32 O ATOM 494 CB LEU A 33 6.154 2.413 -23.460 1.00 32.15 C ATOM 495 CG LEU A 33 5.205 2.327 -24.656 1.00 61.32 C ATOM 496 CD1 LEU A 33 4.512 0.965 -24.709 1.00 55.24 C ATOM 497 CD2 LEU A 33 4.199 3.480 -24.642 1.00 14.44 C ATOM 0 H LEU A 33 7.882 1.152 -22.230 1.00 14.12 H new ATOM 0 HA LEU A 33 7.741 2.191 -24.825 1.00 54.41 H new ATOM 0 HB2 LEU A 33 6.007 1.528 -22.840 1.00 32.15 H new ATOM 0 HB3 LEU A 33 5.870 3.275 -22.857 1.00 32.15 H new ATOM 0 HG LEU A 33 5.795 2.425 -25.567 1.00 61.32 H new ATOM 0 HD11 LEU A 33 3.843 0.930 -25.569 1.00 55.24 H new ATOM 0 HD12 LEU A 33 5.261 0.179 -24.801 1.00 55.24 H new ATOM 0 HD13 LEU A 33 3.937 0.814 -23.795 1.00 55.24 H new ATOM 0 HD21 LEU A 33 3.536 3.395 -25.503 1.00 14.44 H new ATOM 0 HD22 LEU A 33 3.610 3.438 -23.725 1.00 14.44 H new ATOM 0 HD23 LEU A 33 4.733 4.429 -24.687 1.00 14.44 H new ATOM 509 N TRP A 34 8.434 4.412 -22.517 1.00 43.41 N ATOM 510 CA TRP A 34 8.948 5.756 -22.311 1.00 63.23 C ATOM 511 C TRP A 34 10.136 5.957 -23.252 1.00 73.32 C ATOM 512 O TRP A 34 10.297 7.029 -23.835 1.00 51.43 O ATOM 513 CB TRP A 34 9.303 5.988 -20.841 1.00 64.34 C ATOM 514 CG TRP A 34 8.090 6.210 -19.935 1.00 32.32 C ATOM 515 CD1 TRP A 34 7.119 5.339 -19.628 1.00 65.53 C ATOM 516 CD2 TRP A 34 7.757 7.422 -19.226 1.00 5.41 C ATOM 517 NE1 TRP A 34 6.188 5.899 -18.777 1.00 71.03 N ATOM 518 CE2 TRP A 34 6.588 7.205 -18.525 1.00 3.43 C ATOM 519 CE3 TRP A 34 8.422 8.659 -19.178 1.00 21.13 C ATOM 520 CZ2 TRP A 34 5.982 8.182 -17.725 1.00 35.32 C ATOM 521 CZ3 TRP A 34 7.803 9.625 -18.375 1.00 14.22 C ATOM 522 CH2 TRP A 34 6.627 9.424 -17.663 1.00 43.25 C ATOM 0 H TRP A 34 8.294 3.873 -21.662 1.00 43.41 H new ATOM 0 HA TRP A 34 8.187 6.500 -22.547 1.00 63.23 H new ATOM 0 HB2 TRP A 34 9.865 5.129 -20.474 1.00 64.34 H new ATOM 0 HB3 TRP A 34 9.961 6.854 -20.769 1.00 64.34 H new ATOM 0 HD1 TRP A 34 7.071 4.326 -20.000 1.00 65.53 H new ATOM 0 HE1 TRP A 34 5.359 5.439 -18.402 1.00 71.03 H new ATOM 0 HE3 TRP A 34 9.338 8.850 -19.718 1.00 21.13 H new ATOM 0 HZ2 TRP A 34 5.067 7.988 -17.185 1.00 35.32 H new ATOM 0 HZ3 TRP A 34 8.273 10.595 -18.304 1.00 14.22 H new ATOM 0 HH2 TRP A 34 6.212 10.222 -17.065 1.00 43.25 H new ATOM 533 N ASN A 35 10.939 4.910 -23.372 1.00 42.30 N ATOM 534 CA ASN A 35 12.108 4.958 -24.233 1.00 0.34 C ATOM 535 C ASN A 35 11.714 4.529 -25.647 1.00 64.35 C ATOM 536 O ASN A 35 11.763 3.345 -25.977 1.00 32.43 O ATOM 537 CB ASN A 35 13.198 4.004 -23.736 1.00 24.45 C ATOM 538 CG ASN A 35 13.205 3.929 -22.208 1.00 43.14 C ATOM 539 OD1 ASN A 35 13.254 4.929 -21.511 1.00 73.22 O ATOM 540 ND2 ASN A 35 13.153 2.690 -21.728 1.00 62.54 N ATOM 0 H ASN A 35 10.803 4.023 -22.887 1.00 42.30 H new ATOM 0 HA ASN A 35 12.490 5.979 -24.225 1.00 0.34 H new ATOM 0 HB2 ASN A 35 13.034 3.010 -24.152 1.00 24.45 H new ATOM 0 HB3 ASN A 35 14.172 4.341 -24.092 1.00 24.45 H new ATOM 0 HD21 ASN A 35 13.153 2.533 -20.720 1.00 62.54 H new ATOM 0 HD22 ASN A 35 13.114 1.896 -22.368 1.00 62.54 H new TER 547 ASN A 35