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+ 178:sc= 0 (180deg=-0.00378) 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= -0.0104 X(o=-0.01,f=-0.13) USER MOD Single : A 22 GLN : amide:sc= -0.0586 X(o=-0.059,f=0) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.612 5.150 -6.368 1.00 72.32 N ATOM 2 CA GLY A 1 -24.815 4.338 -6.309 1.00 61.25 C ATOM 3 C GLY A 1 -25.090 3.868 -4.879 1.00 61.42 C ATOM 4 O GLY A 1 -25.089 4.672 -3.948 1.00 61.01 O ATOM 0 H1 GLY A 1 -23.429 5.428 -7.353 1.00 72.32 H new ATOM 0 H2 GLY A 1 -23.740 6.002 -5.786 1.00 72.32 H new ATOM 0 H3 GLY A 1 -22.805 4.602 -6.007 1.00 72.32 H new ATOM 0 HA2 GLY A 1 -25.665 4.913 -6.676 1.00 61.25 H new ATOM 0 HA3 GLY A 1 -24.708 3.474 -6.965 1.00 61.25 H new ATOM 8 N ILE A 2 -25.319 2.570 -4.750 1.00 30.21 N ATOM 9 CA ILE A 2 -25.595 1.985 -3.449 1.00 74.35 C ATOM 10 C ILE A 2 -24.586 0.868 -3.172 1.00 70.44 C ATOM 11 O ILE A 2 -23.881 0.898 -2.165 1.00 22.00 O ATOM 12 CB ILE A 2 -27.054 1.530 -3.365 1.00 12.32 C ATOM 13 CG1 ILE A 2 -27.170 0.193 -2.628 1.00 25.33 C ATOM 14 CG2 ILE A 2 -27.693 1.477 -4.753 1.00 10.24 C ATOM 15 CD1 ILE A 2 -26.654 0.312 -1.193 1.00 60.23 C ATOM 0 H ILE A 2 -25.319 1.907 -5.525 1.00 30.21 H new ATOM 0 HA ILE A 2 -25.471 2.730 -2.663 1.00 74.35 H new ATOM 0 HB ILE A 2 -27.609 2.267 -2.784 1.00 12.32 H new ATOM 0 HG12 ILE A 2 -28.210 -0.132 -2.618 1.00 25.33 H new ATOM 0 HG13 ILE A 2 -26.602 -0.570 -3.160 1.00 25.33 H new ATOM 0 HG21 ILE A 2 -28.729 1.151 -4.664 1.00 10.24 H new ATOM 0 HG22 ILE A 2 -27.662 2.468 -5.206 1.00 10.24 H new ATOM 0 HG23 ILE A 2 -27.144 0.774 -5.380 1.00 10.24 H new ATOM 0 HD11 ILE A 2 -26.748 -0.651 -0.692 1.00 60.23 H new ATOM 0 HD12 ILE A 2 -25.607 0.614 -1.207 1.00 60.23 H new ATOM 0 HD13 ILE A 2 -27.240 1.059 -0.657 1.00 60.23 H new ATOM 27 N GLY A 3 -24.550 -0.093 -4.085 1.00 10.55 N ATOM 28 CA GLY A 3 -23.639 -1.217 -3.953 1.00 40.13 C ATOM 29 C GLY A 3 -22.244 -0.856 -4.466 1.00 62.34 C ATOM 30 O GLY A 3 -21.336 -1.685 -4.442 1.00 75.32 O ATOM 0 H GLY A 3 -25.137 -0.116 -4.919 1.00 10.55 H new ATOM 0 HA2 GLY A 3 -23.579 -1.520 -2.908 1.00 40.13 H new ATOM 0 HA3 GLY A 3 -24.026 -2.070 -4.510 1.00 40.13 H new ATOM 34 N ALA A 4 -22.117 0.383 -4.918 1.00 21.20 N ATOM 35 CA ALA A 4 -20.848 0.863 -5.438 1.00 41.24 C ATOM 36 C ALA A 4 -19.992 1.381 -4.280 1.00 30.31 C ATOM 37 O ALA A 4 -18.766 1.280 -4.315 1.00 64.13 O ATOM 38 CB ALA A 4 -21.103 1.935 -6.499 1.00 4.33 C ATOM 0 H ALA A 4 -22.872 1.069 -4.935 1.00 21.20 H new ATOM 0 HA ALA A 4 -20.299 0.053 -5.919 1.00 41.24 H new ATOM 0 HB1 ALA A 4 -20.151 2.295 -6.889 1.00 4.33 H new ATOM 0 HB2 ALA A 4 -21.691 1.509 -7.312 1.00 4.33 H new ATOM 0 HB3 ALA A 4 -21.650 2.766 -6.053 1.00 4.33 H new ATOM 44 N LEU A 5 -20.672 1.926 -3.281 1.00 55.54 N ATOM 45 CA LEU A 5 -19.988 2.460 -2.115 1.00 63.34 C ATOM 46 C LEU A 5 -19.295 1.318 -1.367 1.00 25.31 C ATOM 47 O LEU A 5 -18.234 1.512 -0.777 1.00 11.24 O ATOM 48 CB LEU A 5 -20.959 3.263 -1.248 1.00 52.51 C ATOM 49 CG LEU A 5 -20.411 4.565 -0.657 1.00 62.15 C ATOM 50 CD1 LEU A 5 -21.545 5.451 -0.136 1.00 74.35 C ATOM 51 CD2 LEU A 5 -19.365 4.280 0.422 1.00 51.24 C ATOM 0 H LEU A 5 -21.688 2.009 -3.255 1.00 55.54 H new ATOM 0 HA LEU A 5 -19.210 3.161 -2.417 1.00 63.34 H new ATOM 0 HB2 LEU A 5 -21.838 3.501 -1.847 1.00 52.51 H new ATOM 0 HB3 LEU A 5 -21.294 2.628 -0.428 1.00 52.51 H new ATOM 0 HG LEU A 5 -19.911 5.117 -1.453 1.00 62.15 H new ATOM 0 HD11 LEU A 5 -21.128 6.369 0.278 1.00 74.35 H new ATOM 0 HD12 LEU A 5 -22.221 5.697 -0.955 1.00 74.35 H new ATOM 0 HD13 LEU A 5 -22.095 4.919 0.641 1.00 74.35 H new ATOM 0 HD21 LEU A 5 -18.992 5.222 0.825 1.00 51.24 H new ATOM 0 HD22 LEU A 5 -19.818 3.697 1.223 1.00 51.24 H new ATOM 0 HD23 LEU A 5 -18.538 3.718 -0.012 1.00 51.24 H new ATOM 63 N PHE A 6 -19.925 0.153 -1.417 1.00 32.24 N ATOM 64 CA PHE A 6 -19.382 -1.019 -0.752 1.00 72.23 C ATOM 65 C PHE A 6 -17.951 -1.299 -1.215 1.00 65.24 C ATOM 66 O PHE A 6 -17.100 -1.685 -0.415 1.00 10.12 O ATOM 67 CB PHE A 6 -20.271 -2.203 -1.137 1.00 71.31 C ATOM 68 CG PHE A 6 -20.277 -3.337 -0.110 1.00 3.32 C ATOM 69 CD1 PHE A 6 -21.356 -3.516 0.699 1.00 30.15 C ATOM 70 CD2 PHE A 6 -19.204 -4.166 -0.006 1.00 61.43 C ATOM 71 CE1 PHE A 6 -21.361 -4.568 1.653 1.00 2.25 C ATOM 72 CE2 PHE A 6 -19.209 -5.218 0.948 1.00 63.03 C ATOM 73 CZ PHE A 6 -20.288 -5.397 1.757 1.00 70.50 C ATOM 0 H PHE A 6 -20.806 -0.004 -1.907 1.00 32.24 H new ATOM 0 HA PHE A 6 -19.361 -0.859 0.326 1.00 72.23 H new ATOM 0 HB2 PHE A 6 -21.292 -1.847 -1.276 1.00 71.31 H new ATOM 0 HB3 PHE A 6 -19.937 -2.598 -2.097 1.00 71.31 H new ATOM 0 HD1 PHE A 6 -22.209 -2.858 0.616 1.00 30.15 H new ATOM 0 HD2 PHE A 6 -18.348 -4.024 -0.649 1.00 61.43 H new ATOM 0 HE1 PHE A 6 -22.217 -4.710 2.296 1.00 2.25 H new ATOM 0 HE2 PHE A 6 -18.356 -5.876 1.031 1.00 63.03 H new ATOM 0 HZ PHE A 6 -20.292 -6.198 2.482 1.00 70.50 H new ATOM 83 N LEU A 7 -17.730 -1.094 -2.505 1.00 21.22 N ATOM 84 CA LEU A 7 -16.416 -1.319 -3.085 1.00 44.21 C ATOM 85 C LEU A 7 -15.452 -0.241 -2.586 1.00 3.11 C ATOM 86 O LEU A 7 -14.259 -0.494 -2.432 1.00 34.24 O ATOM 87 CB LEU A 7 -16.511 -1.401 -4.609 1.00 73.44 C ATOM 88 CG LEU A 7 -17.221 -2.635 -5.172 1.00 1.34 C ATOM 89 CD1 LEU A 7 -18.500 -2.240 -5.914 1.00 33.01 C ATOM 90 CD2 LEU A 7 -16.277 -3.457 -6.053 1.00 44.53 C ATOM 0 H LEU A 7 -18.439 -0.774 -3.165 1.00 21.22 H new ATOM 0 HA LEU A 7 -16.016 -2.280 -2.761 1.00 44.21 H new ATOM 0 HB2 LEU A 7 -17.029 -0.512 -4.969 1.00 73.44 H new ATOM 0 HB3 LEU A 7 -15.501 -1.369 -5.018 1.00 73.44 H new ATOM 0 HG LEU A 7 -17.516 -3.270 -4.337 1.00 1.34 H new ATOM 0 HD11 LEU A 7 -18.985 -3.135 -6.304 1.00 33.01 H new ATOM 0 HD12 LEU A 7 -19.176 -1.730 -5.228 1.00 33.01 H new ATOM 0 HD13 LEU A 7 -18.251 -1.573 -6.739 1.00 33.01 H new ATOM 0 HD21 LEU A 7 -16.806 -4.328 -6.440 1.00 44.53 H new ATOM 0 HD22 LEU A 7 -15.930 -2.844 -6.885 1.00 44.53 H new ATOM 0 HD23 LEU A 7 -15.422 -3.785 -5.462 1.00 44.53 H new ATOM 102 N GLY A 8 -16.006 0.938 -2.346 1.00 23.44 N ATOM 103 CA GLY A 8 -15.210 2.055 -1.868 1.00 23.14 C ATOM 104 C GLY A 8 -14.456 1.685 -0.589 1.00 73.33 C ATOM 105 O GLY A 8 -13.415 2.266 -0.287 1.00 44.13 O ATOM 0 H GLY A 8 -16.997 1.144 -2.474 1.00 23.44 H new ATOM 0 HA2 GLY A 8 -14.500 2.356 -2.638 1.00 23.14 H new ATOM 0 HA3 GLY A 8 -15.857 2.912 -1.678 1.00 23.14 H new ATOM 109 N PHE A 9 -15.011 0.718 0.128 1.00 64.52 N ATOM 110 CA PHE A 9 -14.405 0.261 1.366 1.00 50.50 C ATOM 111 C PHE A 9 -13.122 -0.526 1.091 1.00 42.15 C ATOM 112 O PHE A 9 -12.128 -0.367 1.798 1.00 31.55 O ATOM 113 CB PHE A 9 -15.418 -0.659 2.049 1.00 23.32 C ATOM 114 CG PHE A 9 -16.789 -0.016 2.275 1.00 75.03 C ATOM 115 CD1 PHE A 9 -17.882 -0.799 2.480 1.00 55.22 C ATOM 116 CD2 PHE A 9 -16.913 1.338 2.271 1.00 60.43 C ATOM 117 CE1 PHE A 9 -19.153 -0.204 2.691 1.00 31.24 C ATOM 118 CE2 PHE A 9 -18.185 1.934 2.481 1.00 4.23 C ATOM 119 CZ PHE A 9 -19.278 1.150 2.686 1.00 4.55 C ATOM 0 H PHE A 9 -15.875 0.239 -0.126 1.00 64.52 H new ATOM 0 HA PHE A 9 -14.148 1.116 1.991 1.00 50.50 H new ATOM 0 HB2 PHE A 9 -15.544 -1.557 1.444 1.00 23.32 H new ATOM 0 HB3 PHE A 9 -15.014 -0.977 3.010 1.00 23.32 H new ATOM 0 HD1 PHE A 9 -17.783 -1.874 2.482 1.00 55.22 H new ATOM 0 HD2 PHE A 9 -16.045 1.960 2.108 1.00 60.43 H new ATOM 0 HE1 PHE A 9 -20.020 -0.826 2.855 1.00 31.24 H new ATOM 0 HE2 PHE A 9 -18.285 3.009 2.478 1.00 4.23 H new ATOM 0 HZ PHE A 9 -20.245 1.603 2.845 1.00 4.55 H new ATOM 129 N LEU A 10 -13.187 -1.361 0.065 1.00 23.53 N ATOM 130 CA LEU A 10 -12.043 -2.174 -0.313 1.00 41.20 C ATOM 131 C LEU A 10 -11.027 -1.304 -1.056 1.00 53.12 C ATOM 132 O LEU A 10 -9.827 -1.570 -1.011 1.00 33.21 O ATOM 133 CB LEU A 10 -12.497 -3.402 -1.104 1.00 24.11 C ATOM 134 CG LEU A 10 -13.659 -4.195 -0.504 1.00 60.11 C ATOM 135 CD1 LEU A 10 -14.466 -4.898 -1.598 1.00 51.34 C ATOM 136 CD2 LEU A 10 -13.162 -5.175 0.561 1.00 4.30 C ATOM 0 H LEU A 10 -14.014 -1.493 -0.517 1.00 23.53 H new ATOM 0 HA LEU A 10 -11.542 -2.562 0.574 1.00 41.20 H new ATOM 0 HB2 LEU A 10 -12.782 -3.079 -2.105 1.00 24.11 H new ATOM 0 HB3 LEU A 10 -11.645 -4.073 -1.216 1.00 24.11 H new ATOM 0 HG LEU A 10 -14.331 -3.494 -0.008 1.00 60.11 H new ATOM 0 HD11 LEU A 10 -15.286 -5.455 -1.144 1.00 51.34 H new ATOM 0 HD12 LEU A 10 -14.869 -4.156 -2.287 1.00 51.34 H new ATOM 0 HD13 LEU A 10 -13.819 -5.585 -2.143 1.00 51.34 H new ATOM 0 HD21 LEU A 10 -14.008 -5.726 0.972 1.00 4.30 H new ATOM 0 HD22 LEU A 10 -12.457 -5.874 0.111 1.00 4.30 H new ATOM 0 HD23 LEU A 10 -12.666 -4.624 1.360 1.00 4.30 H new ATOM 148 N GLY A 11 -11.545 -0.283 -1.722 1.00 43.21 N ATOM 149 CA GLY A 11 -10.698 0.627 -2.473 1.00 1.43 C ATOM 150 C GLY A 11 -9.709 1.342 -1.551 1.00 3.44 C ATOM 151 O GLY A 11 -8.673 1.830 -2.003 1.00 64.23 O ATOM 0 H GLY A 11 -12.541 -0.066 -1.757 1.00 43.21 H new ATOM 0 HA2 GLY A 11 -10.153 0.074 -3.238 1.00 1.43 H new ATOM 0 HA3 GLY A 11 -11.316 1.362 -2.990 1.00 1.43 H new ATOM 155 N ALA A 12 -10.061 1.384 -0.275 1.00 44.35 N ATOM 156 CA ALA A 12 -9.218 2.031 0.716 1.00 32.12 C ATOM 157 C ALA A 12 -8.019 1.132 1.023 1.00 10.22 C ATOM 158 O ALA A 12 -6.910 1.621 1.237 1.00 71.32 O ATOM 159 CB ALA A 12 -10.044 2.348 1.962 1.00 42.44 C ATOM 0 H ALA A 12 -10.921 0.980 0.096 1.00 44.35 H new ATOM 0 HA ALA A 12 -8.832 2.976 0.334 1.00 32.12 H new ATOM 0 HB1 ALA A 12 -9.411 2.833 2.705 1.00 42.44 H new ATOM 0 HB2 ALA A 12 -10.865 3.013 1.695 1.00 42.44 H new ATOM 0 HB3 ALA A 12 -10.446 1.424 2.377 1.00 42.44 H new ATOM 165 N ALA A 13 -8.281 -0.167 1.037 1.00 21.44 N ATOM 166 CA ALA A 13 -7.237 -1.138 1.315 1.00 73.32 C ATOM 167 C ALA A 13 -6.109 -0.974 0.294 1.00 52.25 C ATOM 168 O ALA A 13 -4.959 -1.308 0.577 1.00 75.11 O ATOM 169 CB ALA A 13 -7.835 -2.547 1.304 1.00 50.20 C ATOM 0 H ALA A 13 -9.201 -0.569 0.860 1.00 21.44 H new ATOM 0 HA ALA A 13 -6.811 -0.972 2.305 1.00 73.32 H new ATOM 0 HB1 ALA A 13 -7.052 -3.276 1.513 1.00 50.20 H new ATOM 0 HB2 ALA A 13 -8.610 -2.619 2.067 1.00 50.20 H new ATOM 0 HB3 ALA A 13 -8.269 -2.750 0.325 1.00 50.20 H new ATOM 175 N GLY A 14 -6.477 -0.462 -0.870 1.00 1.51 N ATOM 176 CA GLY A 14 -5.511 -0.250 -1.934 1.00 32.11 C ATOM 177 C GLY A 14 -4.462 0.786 -1.523 1.00 30.53 C ATOM 178 O GLY A 14 -3.271 0.483 -1.473 1.00 64.02 O ATOM 0 H GLY A 14 -7.432 -0.187 -1.100 1.00 1.51 H new ATOM 0 HA2 GLY A 14 -5.021 -1.192 -2.178 1.00 32.11 H new ATOM 0 HA3 GLY A 14 -6.025 0.085 -2.835 1.00 32.11 H new ATOM 182 N SER A 15 -4.943 1.989 -1.242 1.00 65.54 N ATOM 183 CA SER A 15 -4.063 3.072 -0.839 1.00 72.22 C ATOM 184 C SER A 15 -3.205 2.632 0.349 1.00 12.31 C ATOM 185 O SER A 15 -2.011 2.923 0.398 1.00 14.02 O ATOM 186 CB SER A 15 -4.861 4.327 -0.481 1.00 71.51 C ATOM 187 OG SER A 15 -4.123 5.519 -0.734 1.00 11.12 O ATOM 0 H SER A 15 -5.931 2.237 -1.286 1.00 65.54 H new ATOM 0 HA SER A 15 -3.413 3.316 -1.679 1.00 72.22 H new ATOM 0 HB2 SER A 15 -5.786 4.345 -1.057 1.00 71.51 H new ATOM 0 HB3 SER A 15 -5.141 4.291 0.572 1.00 71.51 H new ATOM 0 HG SER A 15 -4.667 6.298 -0.494 1.00 11.12 H new ATOM 193 N LYS A 16 -3.847 1.940 1.279 1.00 20.01 N ATOM 194 CA LYS A 16 -3.156 1.458 2.463 1.00 43.32 C ATOM 195 C LYS A 16 -1.842 0.795 2.048 1.00 62.32 C ATOM 196 O LYS A 16 -0.765 1.331 2.302 1.00 14.14 O ATOM 197 CB LYS A 16 -4.073 0.548 3.284 1.00 12.11 C ATOM 198 CG LYS A 16 -5.293 1.316 3.796 1.00 24.12 C ATOM 199 CD LYS A 16 -5.356 1.290 5.324 1.00 43.34 C ATOM 200 CE LYS A 16 -6.365 2.313 5.849 1.00 63.35 C ATOM 201 NZ LYS A 16 -5.668 3.434 6.517 1.00 65.01 N ATOM 0 H LYS A 16 -4.838 1.702 1.237 1.00 20.01 H new ATOM 0 HA LYS A 16 -2.899 2.289 3.119 1.00 43.32 H new ATOM 0 HB2 LYS A 16 -4.399 -0.293 2.672 1.00 12.11 H new ATOM 0 HB3 LYS A 16 -3.520 0.134 4.127 1.00 12.11 H new ATOM 0 HG2 LYS A 16 -5.250 2.348 3.448 1.00 24.12 H new ATOM 0 HG3 LYS A 16 -6.202 0.878 3.384 1.00 24.12 H new ATOM 0 HD2 LYS A 16 -5.635 0.292 5.663 1.00 43.34 H new ATOM 0 HD3 LYS A 16 -4.369 1.503 5.736 1.00 43.34 H new ATOM 0 HE2 LYS A 16 -6.969 2.692 5.025 1.00 63.35 H new ATOM 0 HE3 LYS A 16 -7.048 1.832 6.550 1.00 63.35 H new ATOM 0 HZ1 LYS A 16 -6.368 4.119 6.867 1.00 65.01 H new ATOM 0 HZ2 LYS A 16 -5.111 3.070 7.316 1.00 65.01 H new ATOM 0 HZ3 LYS A 16 -5.035 3.903 5.838 1.00 65.01 H new ATOM 214 N LYS A 17 -1.975 -0.363 1.417 1.00 14.20 N ATOM 215 CA LYS A 17 -0.811 -1.105 0.964 1.00 54.14 C ATOM 216 C LYS A 17 0.005 -0.234 0.007 1.00 22.21 C ATOM 217 O LYS A 17 1.131 0.151 0.318 1.00 73.54 O ATOM 218 CB LYS A 17 -1.231 -2.449 0.365 1.00 43.14 C ATOM 219 CG LYS A 17 -1.149 -3.565 1.409 1.00 43.32 C ATOM 220 CD LYS A 17 -2.487 -3.740 2.131 1.00 11.14 C ATOM 221 CE LYS A 17 -3.149 -5.063 1.746 1.00 55.23 C ATOM 222 NZ LYS A 17 -4.342 -5.310 2.586 1.00 74.11 N ATOM 0 H LYS A 17 -2.870 -0.805 1.209 1.00 14.20 H new ATOM 0 HA LYS A 17 -0.163 -1.346 1.807 1.00 54.14 H new ATOM 0 HB2 LYS A 17 -2.249 -2.378 -0.018 1.00 43.14 H new ATOM 0 HB3 LYS A 17 -0.588 -2.690 -0.482 1.00 43.14 H new ATOM 0 HG2 LYS A 17 -0.868 -4.500 0.925 1.00 43.32 H new ATOM 0 HG3 LYS A 17 -0.368 -3.333 2.134 1.00 43.32 H new ATOM 0 HD2 LYS A 17 -2.329 -3.708 3.209 1.00 11.14 H new ATOM 0 HD3 LYS A 17 -3.150 -2.912 1.881 1.00 11.14 H new ATOM 0 HE2 LYS A 17 -3.436 -5.040 0.695 1.00 55.23 H new ATOM 0 HE3 LYS A 17 -2.438 -5.880 1.865 1.00 55.23 H new ATOM 0 HZ1 LYS A 17 -4.779 -6.213 2.311 1.00 74.11 H new ATOM 0 HZ2 LYS A 17 -4.060 -5.352 3.586 1.00 74.11 H new ATOM 0 HZ3 LYS A 17 -5.027 -4.539 2.452 1.00 74.11 H new HETATM 235 C1 ACA A 18 -1.324 -3.095 -5.774 1.00 35.34 C HETATM 236 O1 ACA A 18 -2.073 -3.398 -4.847 1.00 52.44 O HETATM 237 C2 ACA A 18 -1.665 -1.671 -5.986 1.00 50.12 C HETATM 238 C3 ACA A 18 -0.578 -0.767 -5.401 1.00 71.31 C HETATM 239 C4 ACA A 18 -0.552 -0.856 -3.874 1.00 72.45 C HETATM 240 C5 ACA A 18 0.572 0.003 -3.293 1.00 54.53 C HETATM 241 C6 ACA A 18 0.059 0.872 -2.144 1.00 0.34 C HETATM 242 N6 ACA A 18 -0.596 0.054 -1.139 1.00 61.34 N HETATM 0 H62 ACA A 18 0.889 1.416 -1.694 1.00 0.34 H new HETATM 0 H61 ACA A 18 -0.639 1.616 -2.527 1.00 0.34 H new HETATM 0 H52 ACA A 18 1.378 -0.639 -2.937 1.00 54.53 H new HETATM 0 H51 ACA A 18 0.991 0.637 -4.074 1.00 54.53 H new HETATM 0 H42 ACA A 18 -1.510 -0.528 -3.471 1.00 72.45 H new HETATM 0 H41 ACA A 18 -0.416 -1.894 -3.569 1.00 72.45 H new HETATM 0 H32 ACA A 18 0.394 -1.055 -5.802 1.00 71.31 H new HETATM 0 H31 ACA A 18 -0.755 0.264 -5.705 1.00 71.31 H new HETATM 0 H22 ACA A 18 -1.777 -1.472 -7.052 1.00 50.12 H new HETATM 0 H21 ACA A 18 -2.624 -1.447 -5.518 1.00 50.12 H new ATOM 254 N LYS A 19 -1.238 -3.760 -6.917 1.00 61.10 N ATOM 255 CA LYS A 19 -2.054 -4.937 -7.162 1.00 24.14 C ATOM 256 C LYS A 19 -1.369 -6.163 -6.557 1.00 3.30 C ATOM 257 O LYS A 19 -1.468 -6.404 -5.354 1.00 33.03 O ATOM 258 CB LYS A 19 -2.359 -5.077 -8.655 1.00 2.52 C ATOM 259 CG LYS A 19 -3.006 -6.429 -8.957 1.00 65.52 C ATOM 260 CD LYS A 19 -4.379 -6.246 -9.608 1.00 4.13 C ATOM 261 CE LYS A 19 -4.813 -7.516 -10.341 1.00 40.14 C ATOM 262 NZ LYS A 19 -6.008 -7.252 -11.173 1.00 71.54 N ATOM 0 HA LYS A 19 -3.022 -4.838 -6.671 1.00 24.14 H new ATOM 0 HB2 LYS A 19 -3.024 -4.273 -8.971 1.00 2.52 H new ATOM 0 HB3 LYS A 19 -1.438 -4.974 -9.229 1.00 2.52 H new ATOM 0 HG2 LYS A 19 -2.360 -7.006 -9.619 1.00 65.52 H new ATOM 0 HG3 LYS A 19 -3.110 -7.001 -8.035 1.00 65.52 H new ATOM 0 HD2 LYS A 19 -5.116 -5.992 -8.846 1.00 4.13 H new ATOM 0 HD3 LYS A 19 -4.345 -5.412 -10.308 1.00 4.13 H new ATOM 0 HE2 LYS A 19 -3.998 -7.877 -10.969 1.00 40.14 H new ATOM 0 HE3 LYS A 19 -5.032 -8.303 -9.619 1.00 40.14 H new ATOM 0 HZ1 LYS A 19 -6.289 -8.125 -11.664 1.00 71.54 H new ATOM 0 HZ2 LYS A 19 -6.789 -6.929 -10.567 1.00 71.54 H new ATOM 0 HZ3 LYS A 19 -5.787 -6.516 -11.874 1.00 71.54 H new ATOM 275 N ASN A 20 -0.689 -6.906 -7.417 1.00 41.51 N ATOM 276 CA ASN A 20 0.014 -8.102 -6.982 1.00 3.34 C ATOM 277 C ASN A 20 1.437 -8.085 -7.543 1.00 4.52 C ATOM 278 O ASN A 20 1.646 -8.359 -8.723 1.00 22.44 O ATOM 279 CB ASN A 20 -0.682 -9.366 -7.493 1.00 2.44 C ATOM 280 CG ASN A 20 -1.589 -9.965 -6.416 1.00 34.51 C ATOM 281 OD1 ASN A 20 -1.185 -10.204 -5.290 1.00 63.24 O ATOM 282 ND2 ASN A 20 -2.833 -10.196 -6.826 1.00 50.14 N ATOM 0 H ASN A 20 -0.609 -6.703 -8.414 1.00 41.51 H new ATOM 0 HA ASN A 20 0.023 -8.111 -5.892 1.00 3.34 H new ATOM 0 HB2 ASN A 20 -1.271 -9.128 -8.379 1.00 2.44 H new ATOM 0 HB3 ASN A 20 0.065 -10.100 -7.794 1.00 2.44 H new ATOM 0 HD21 ASN A 20 -3.516 -10.597 -6.183 1.00 50.14 H new ATOM 0 HD22 ASN A 20 -3.104 -9.972 -7.783 1.00 50.14 H new ATOM 289 N GLU A 21 2.379 -7.761 -6.670 1.00 40.33 N ATOM 290 CA GLU A 21 3.777 -7.706 -7.063 1.00 4.45 C ATOM 291 C GLU A 21 4.244 -9.074 -7.560 1.00 71.42 C ATOM 292 O GLU A 21 4.999 -9.164 -8.527 1.00 11.23 O ATOM 293 CB GLU A 21 4.652 -7.213 -5.908 1.00 75.31 C ATOM 294 CG GLU A 21 4.833 -5.695 -5.966 1.00 20.41 C ATOM 295 CD GLU A 21 6.218 -5.288 -5.458 1.00 63.12 C ATOM 296 OE1 GLU A 21 7.221 -5.501 -6.155 1.00 75.15 O ATOM 297 OE2 GLU A 21 6.230 -4.731 -4.295 1.00 23.11 O ATOM 0 H GLU A 21 2.202 -7.534 -5.692 1.00 40.33 H new ATOM 0 HA GLU A 21 3.876 -6.992 -7.881 1.00 4.45 H new ATOM 0 HB2 GLU A 21 4.197 -7.492 -4.958 1.00 75.31 H new ATOM 0 HB3 GLU A 21 5.626 -7.701 -5.951 1.00 75.31 H new ATOM 0 HG2 GLU A 21 4.701 -5.348 -6.991 1.00 20.41 H new ATOM 0 HG3 GLU A 21 4.064 -5.210 -5.364 1.00 20.41 H new ATOM 305 N GLN A 22 3.773 -10.108 -6.877 1.00 54.51 N ATOM 306 CA GLN A 22 4.134 -11.469 -7.237 1.00 44.14 C ATOM 307 C GLN A 22 3.701 -11.770 -8.673 1.00 55.00 C ATOM 308 O GLN A 22 4.470 -12.335 -9.451 1.00 1.43 O ATOM 309 CB GLN A 22 3.523 -12.475 -6.258 1.00 32.13 C ATOM 310 CG GLN A 22 4.534 -13.562 -5.888 1.00 72.21 C ATOM 311 CD GLN A 22 3.872 -14.669 -5.064 1.00 23.44 C ATOM 312 OE1 GLN A 22 4.216 -14.918 -3.921 1.00 53.12 O ATOM 313 NE2 GLN A 22 2.904 -15.316 -5.708 1.00 14.42 N ATOM 0 H GLN A 22 3.145 -10.030 -6.077 1.00 54.51 H new ATOM 0 HA GLN A 22 5.218 -11.565 -7.177 1.00 44.14 H new ATOM 0 HB2 GLN A 22 3.194 -11.957 -5.357 1.00 32.13 H new ATOM 0 HB3 GLN A 22 2.639 -12.932 -6.704 1.00 32.13 H new ATOM 0 HG2 GLN A 22 4.965 -13.987 -6.795 1.00 72.21 H new ATOM 0 HG3 GLN A 22 5.355 -13.123 -5.321 1.00 72.21 H new ATOM 0 HE21 GLN A 22 2.666 -15.056 -6.665 1.00 14.42 H new ATOM 0 HE22 GLN A 22 2.400 -16.072 -5.244 1.00 14.42 H new ATOM 322 N GLU A 23 2.473 -11.380 -8.982 1.00 14.24 N ATOM 323 CA GLU A 23 1.930 -11.601 -10.311 1.00 75.20 C ATOM 324 C GLU A 23 2.718 -10.796 -11.347 1.00 51.23 C ATOM 325 O GLU A 23 2.881 -11.234 -12.485 1.00 2.13 O ATOM 326 CB GLU A 23 0.442 -11.252 -10.361 1.00 5.25 C ATOM 327 CG GLU A 23 -0.395 -12.311 -9.642 1.00 13.13 C ATOM 328 CD GLU A 23 -1.603 -12.721 -10.487 1.00 42.23 C ATOM 329 OE1 GLU A 23 -2.146 -11.894 -11.233 1.00 63.35 O ATOM 330 OE2 GLU A 23 -1.974 -13.949 -10.348 1.00 34.12 O ATOM 0 H GLU A 23 1.839 -10.912 -8.334 1.00 14.24 H new ATOM 0 HA GLU A 23 2.029 -12.660 -10.551 1.00 75.20 H new ATOM 0 HB2 GLU A 23 0.278 -10.278 -9.899 1.00 5.25 H new ATOM 0 HB3 GLU A 23 0.119 -11.171 -11.399 1.00 5.25 H new ATOM 0 HG2 GLU A 23 0.221 -13.186 -9.432 1.00 13.13 H new ATOM 0 HG3 GLU A 23 -0.733 -11.922 -8.682 1.00 13.13 H new ATOM 338 N LEU A 24 3.185 -9.634 -10.916 1.00 45.33 N ATOM 339 CA LEU A 24 3.951 -8.764 -11.792 1.00 41.24 C ATOM 340 C LEU A 24 5.323 -9.389 -12.052 1.00 32.10 C ATOM 341 O LEU A 24 5.848 -9.303 -13.161 1.00 55.20 O ATOM 342 CB LEU A 24 4.020 -7.349 -11.214 1.00 1.03 C ATOM 343 CG LEU A 24 3.512 -6.228 -12.123 1.00 72.31 C ATOM 344 CD1 LEU A 24 4.187 -6.285 -13.495 1.00 74.45 C ATOM 345 CD2 LEU A 24 1.986 -6.261 -12.234 1.00 24.13 C ATOM 0 H LEU A 24 3.048 -9.274 -9.971 1.00 45.33 H new ATOM 0 HA LEU A 24 3.457 -8.666 -12.758 1.00 41.24 H new ATOM 0 HB2 LEU A 24 3.445 -7.328 -10.288 1.00 1.03 H new ATOM 0 HB3 LEU A 24 5.056 -7.135 -10.951 1.00 1.03 H new ATOM 0 HG LEU A 24 3.782 -5.274 -11.671 1.00 72.31 H new ATOM 0 HD11 LEU A 24 3.808 -5.477 -14.121 1.00 74.45 H new ATOM 0 HD12 LEU A 24 5.265 -6.176 -13.375 1.00 74.45 H new ATOM 0 HD13 LEU A 24 3.970 -7.243 -13.968 1.00 74.45 H new ATOM 0 HD21 LEU A 24 1.651 -5.454 -12.886 1.00 24.13 H new ATOM 0 HD22 LEU A 24 1.672 -7.218 -12.651 1.00 24.13 H new ATOM 0 HD23 LEU A 24 1.546 -6.135 -11.245 1.00 24.13 H new ATOM 357 N LEU A 25 5.864 -10.005 -11.011 1.00 22.14 N ATOM 358 CA LEU A 25 7.165 -10.644 -11.113 1.00 71.25 C ATOM 359 C LEU A 25 7.079 -11.810 -12.099 1.00 73.41 C ATOM 360 O LEU A 25 8.063 -12.148 -12.754 1.00 75.11 O ATOM 361 CB LEU A 25 7.674 -11.047 -9.728 1.00 41.14 C ATOM 362 CG LEU A 25 8.854 -12.020 -9.703 1.00 53.21 C ATOM 363 CD1 LEU A 25 10.182 -11.269 -9.577 1.00 70.33 C ATOM 364 CD2 LEU A 25 8.681 -13.066 -8.600 1.00 5.54 C ATOM 0 H LEU A 25 5.425 -10.075 -10.093 1.00 22.14 H new ATOM 0 HA LEU A 25 7.903 -9.945 -11.508 1.00 71.25 H new ATOM 0 HB2 LEU A 25 7.963 -10.143 -9.192 1.00 41.14 H new ATOM 0 HB3 LEU A 25 6.848 -11.495 -9.176 1.00 41.14 H new ATOM 0 HG LEU A 25 8.875 -12.555 -10.653 1.00 53.21 H new ATOM 0 HD11 LEU A 25 11.004 -11.984 -9.562 1.00 70.33 H new ATOM 0 HD12 LEU A 25 10.302 -10.597 -10.427 1.00 70.33 H new ATOM 0 HD13 LEU A 25 10.187 -10.691 -8.653 1.00 70.33 H new ATOM 0 HD21 LEU A 25 9.534 -13.745 -8.605 1.00 5.54 H new ATOM 0 HD22 LEU A 25 8.619 -12.568 -7.632 1.00 5.54 H new ATOM 0 HD23 LEU A 25 7.766 -13.632 -8.776 1.00 5.54 H new ATOM 376 N GLU A 26 5.892 -12.395 -12.173 1.00 31.51 N ATOM 377 CA GLU A 26 5.665 -13.517 -13.069 1.00 3.02 C ATOM 378 C GLU A 26 6.061 -13.142 -14.499 1.00 55.23 C ATOM 379 O GLU A 26 6.715 -13.922 -15.190 1.00 54.44 O ATOM 380 CB GLU A 26 4.208 -13.980 -13.007 1.00 71.34 C ATOM 381 CG GLU A 26 4.122 -15.506 -12.919 1.00 13.31 C ATOM 382 CD GLU A 26 4.149 -15.972 -11.462 1.00 14.41 C ATOM 383 OE1 GLU A 26 5.195 -15.883 -10.801 1.00 24.04 O ATOM 384 OE2 GLU A 26 3.032 -16.441 -11.019 1.00 61.53 O ATOM 0 H GLU A 26 5.078 -12.113 -11.627 1.00 31.51 H new ATOM 0 HA GLU A 26 6.291 -14.349 -12.746 1.00 3.02 H new ATOM 0 HB2 GLU A 26 3.717 -13.534 -12.142 1.00 71.34 H new ATOM 0 HB3 GLU A 26 3.674 -13.632 -13.891 1.00 71.34 H new ATOM 0 HG2 GLU A 26 3.206 -15.851 -13.398 1.00 13.31 H new ATOM 0 HG3 GLU A 26 4.954 -15.953 -13.463 1.00 13.31 H new ATOM 392 N LEU A 27 5.648 -11.949 -14.901 1.00 61.23 N ATOM 393 CA LEU A 27 5.952 -11.463 -16.236 1.00 63.22 C ATOM 394 C LEU A 27 7.464 -11.278 -16.374 1.00 22.20 C ATOM 395 O LEU A 27 8.020 -11.469 -17.455 1.00 42.20 O ATOM 396 CB LEU A 27 5.146 -10.198 -16.541 1.00 15.31 C ATOM 397 CG LEU A 27 4.512 -10.127 -17.932 1.00 1.13 C ATOM 398 CD1 LEU A 27 5.578 -10.219 -19.026 1.00 4.20 C ATOM 399 CD2 LEU A 27 3.429 -11.195 -18.096 1.00 22.23 C ATOM 0 H LEU A 27 5.105 -11.305 -14.326 1.00 61.23 H new ATOM 0 HA LEU A 27 5.651 -12.194 -16.986 1.00 63.22 H new ATOM 0 HB2 LEU A 27 4.354 -10.107 -15.797 1.00 15.31 H new ATOM 0 HB3 LEU A 27 5.800 -9.335 -16.417 1.00 15.31 H new ATOM 0 HG LEU A 27 4.026 -9.157 -18.037 1.00 1.13 H new ATOM 0 HD11 LEU A 27 5.101 -10.166 -20.004 1.00 4.20 H new ATOM 0 HD12 LEU A 27 6.281 -9.392 -18.920 1.00 4.20 H new ATOM 0 HD13 LEU A 27 6.113 -11.164 -18.934 1.00 4.20 H new ATOM 0 HD21 LEU A 27 2.995 -11.123 -19.093 1.00 22.23 H new ATOM 0 HD22 LEU A 27 3.869 -12.183 -17.963 1.00 22.23 H new ATOM 0 HD23 LEU A 27 2.650 -11.041 -17.349 1.00 22.23 H new ATOM 411 N ASP A 28 8.087 -10.907 -15.265 1.00 33.01 N ATOM 412 CA ASP A 28 9.524 -10.694 -15.250 1.00 3.31 C ATOM 413 C ASP A 28 10.230 -11.966 -15.720 1.00 74.32 C ATOM 414 O ASP A 28 11.070 -11.919 -16.618 1.00 50.14 O ATOM 415 CB ASP A 28 10.018 -10.374 -13.838 1.00 3.05 C ATOM 416 CG ASP A 28 11.056 -9.253 -13.754 1.00 3.35 C ATOM 417 OD1 ASP A 28 10.778 -8.097 -14.110 1.00 60.30 O ATOM 418 OD2 ASP A 28 12.207 -9.607 -13.294 1.00 52.54 O ATOM 0 H ASP A 28 7.623 -10.749 -14.371 1.00 33.01 H new ATOM 0 HA ASP A 28 9.747 -9.855 -15.910 1.00 3.31 H new ATOM 0 HB2 ASP A 28 9.161 -10.102 -13.223 1.00 3.05 H new ATOM 0 HB3 ASP A 28 10.446 -11.278 -13.406 1.00 3.05 H new ATOM 424 N LYS A 29 9.863 -13.074 -15.093 1.00 63.32 N ATOM 425 CA LYS A 29 10.450 -14.358 -15.437 1.00 41.13 C ATOM 426 C LYS A 29 9.914 -14.812 -16.797 1.00 41.45 C ATOM 427 O LYS A 29 10.621 -15.469 -17.559 1.00 1.32 O ATOM 428 CB LYS A 29 10.216 -15.372 -14.315 1.00 52.11 C ATOM 429 CG LYS A 29 9.091 -16.343 -14.678 1.00 51.43 C ATOM 430 CD LYS A 29 9.614 -17.489 -15.544 1.00 35.52 C ATOM 431 CE LYS A 29 8.521 -18.016 -16.477 1.00 43.41 C ATOM 432 NZ LYS A 29 7.970 -19.289 -15.961 1.00 31.12 N ATOM 0 H LYS A 29 9.166 -13.109 -14.349 1.00 63.32 H new ATOM 0 HA LYS A 29 11.532 -14.268 -15.534 1.00 41.13 H new ATOM 0 HB2 LYS A 29 11.134 -15.928 -14.126 1.00 52.11 H new ATOM 0 HB3 LYS A 29 9.965 -14.848 -13.393 1.00 52.11 H new ATOM 0 HG2 LYS A 29 8.645 -16.744 -13.768 1.00 51.43 H new ATOM 0 HG3 LYS A 29 8.304 -15.810 -15.211 1.00 51.43 H new ATOM 0 HD2 LYS A 29 10.465 -17.146 -16.133 1.00 35.52 H new ATOM 0 HD3 LYS A 29 9.973 -18.297 -14.906 1.00 35.52 H new ATOM 0 HE2 LYS A 29 7.724 -17.278 -16.567 1.00 43.41 H new ATOM 0 HE3 LYS A 29 8.929 -18.168 -17.476 1.00 43.41 H new ATOM 0 HZ1 LYS A 29 7.230 -19.633 -16.605 1.00 31.12 H new ATOM 0 HZ2 LYS A 29 8.730 -19.996 -15.898 1.00 31.12 H new ATOM 0 HZ3 LYS A 29 7.562 -19.133 -15.017 1.00 31.12 H new ATOM 445 N TRP A 30 8.668 -14.445 -17.058 1.00 74.22 N ATOM 446 CA TRP A 30 8.029 -14.806 -18.311 1.00 32.32 C ATOM 447 C TRP A 30 8.867 -14.228 -19.454 1.00 13.31 C ATOM 448 O TRP A 30 8.882 -14.774 -20.556 1.00 41.23 O ATOM 449 CB TRP A 30 6.573 -14.336 -18.341 1.00 10.13 C ATOM 450 CG TRP A 30 5.725 -15.005 -19.424 1.00 2.12 C ATOM 451 CD1 TRP A 30 4.810 -15.973 -19.275 1.00 75.15 C ATOM 452 CD2 TRP A 30 5.748 -14.714 -20.837 1.00 2.15 C ATOM 453 NE1 TRP A 30 4.246 -16.326 -20.485 1.00 53.44 N ATOM 454 CE2 TRP A 30 4.834 -15.536 -21.464 1.00 31.13 C ATOM 455 CE3 TRP A 30 6.517 -13.785 -21.562 1.00 0.10 C ATOM 456 CZ2 TRP A 30 4.603 -15.513 -22.845 1.00 12.24 C ATOM 457 CZ3 TRP A 30 6.274 -13.775 -22.942 1.00 44.43 C ATOM 458 CH2 TRP A 30 5.357 -14.596 -23.588 1.00 54.35 C ATOM 0 H TRP A 30 8.084 -13.901 -16.423 1.00 74.22 H new ATOM 0 HA TRP A 30 7.987 -15.889 -18.423 1.00 32.32 H new ATOM 0 HB2 TRP A 30 6.120 -14.529 -17.369 1.00 10.13 H new ATOM 0 HB3 TRP A 30 6.553 -13.257 -18.494 1.00 10.13 H new ATOM 0 HD1 TRP A 30 4.547 -16.421 -18.328 1.00 75.15 H new ATOM 0 HE1 TRP A 30 3.529 -17.036 -20.633 1.00 53.44 H new ATOM 0 HE3 TRP A 30 7.237 -13.132 -21.092 1.00 0.10 H new ATOM 0 HZ2 TRP A 30 3.882 -16.167 -23.312 1.00 12.24 H new ATOM 0 HZ3 TRP A 30 6.839 -13.081 -23.546 1.00 44.43 H new ATOM 0 HH2 TRP A 30 5.227 -14.527 -24.658 1.00 54.35 H new ATOM 469 N ALA A 31 9.545 -13.131 -19.151 1.00 4.40 N ATOM 470 CA ALA A 31 10.383 -12.472 -20.138 1.00 40.32 C ATOM 471 C ALA A 31 11.386 -13.481 -20.703 1.00 3.41 C ATOM 472 O ALA A 31 11.819 -13.357 -21.847 1.00 2.43 O ATOM 473 CB ALA A 31 11.070 -11.263 -19.500 1.00 42.21 C ATOM 0 H ALA A 31 9.531 -12.682 -18.235 1.00 4.40 H new ATOM 0 HA ALA A 31 9.781 -12.104 -20.968 1.00 40.32 H new ATOM 0 HB1 ALA A 31 11.699 -10.769 -20.241 1.00 42.21 H new ATOM 0 HB2 ALA A 31 10.315 -10.564 -19.140 1.00 42.21 H new ATOM 0 HB3 ALA A 31 11.686 -11.594 -18.664 1.00 42.21 H new ATOM 479 N SER A 32 11.727 -14.456 -19.873 1.00 63.54 N ATOM 480 CA SER A 32 12.670 -15.485 -20.275 1.00 73.32 C ATOM 481 C SER A 32 12.212 -16.133 -21.584 1.00 45.11 C ATOM 482 O SER A 32 13.036 -16.540 -22.401 1.00 11.12 O ATOM 483 CB SER A 32 12.826 -16.547 -19.185 1.00 61.11 C ATOM 484 OG SER A 32 11.943 -17.648 -19.381 1.00 25.20 O ATOM 0 H SER A 32 11.367 -14.555 -18.924 1.00 63.54 H new ATOM 0 HA SER A 32 13.642 -15.015 -20.429 1.00 73.32 H new ATOM 0 HB2 SER A 32 13.855 -16.906 -19.173 1.00 61.11 H new ATOM 0 HB3 SER A 32 12.634 -16.097 -18.211 1.00 61.11 H new ATOM 0 HG SER A 32 12.075 -18.304 -18.665 1.00 25.20 H new ATOM 490 N LEU A 33 10.899 -16.208 -21.742 1.00 63.31 N ATOM 491 CA LEU A 33 10.320 -16.799 -22.937 1.00 12.40 C ATOM 492 C LEU A 33 10.788 -16.015 -24.165 1.00 74.04 C ATOM 493 O LEU A 33 11.222 -16.605 -25.154 1.00 12.33 O ATOM 494 CB LEU A 33 8.799 -16.890 -22.808 1.00 42.01 C ATOM 495 CG LEU A 33 8.186 -18.271 -23.047 1.00 73.33 C ATOM 496 CD1 LEU A 33 7.220 -18.644 -21.921 1.00 54.02 C ATOM 497 CD2 LEU A 33 7.521 -18.346 -24.423 1.00 45.45 C ATOM 0 H LEU A 33 10.219 -15.869 -21.062 1.00 63.31 H new ATOM 0 HA LEU A 33 10.667 -17.825 -23.061 1.00 12.40 H new ATOM 0 HB2 LEU A 33 8.519 -16.558 -21.808 1.00 42.01 H new ATOM 0 HB3 LEU A 33 8.352 -16.189 -23.513 1.00 42.01 H new ATOM 0 HG LEU A 33 8.989 -19.008 -23.039 1.00 73.33 H new ATOM 0 HD11 LEU A 33 6.798 -19.630 -22.115 1.00 54.02 H new ATOM 0 HD12 LEU A 33 7.756 -18.659 -20.972 1.00 54.02 H new ATOM 0 HD13 LEU A 33 6.417 -17.909 -21.872 1.00 54.02 H new ATOM 0 HD21 LEU A 33 7.093 -19.338 -24.567 1.00 45.45 H new ATOM 0 HD22 LEU A 33 6.731 -17.598 -24.487 1.00 45.45 H new ATOM 0 HD23 LEU A 33 8.264 -18.155 -25.197 1.00 45.45 H new ATOM 509 N TRP A 34 10.683 -14.698 -24.063 1.00 53.15 N ATOM 510 CA TRP A 34 11.090 -13.828 -25.153 1.00 72.33 C ATOM 511 C TRP A 34 12.484 -14.262 -25.609 1.00 51.34 C ATOM 512 O TRP A 34 12.702 -14.523 -26.791 1.00 64.32 O ATOM 513 CB TRP A 34 11.029 -12.359 -24.733 1.00 25.03 C ATOM 514 CG TRP A 34 9.750 -11.639 -25.170 1.00 53.31 C ATOM 515 CD1 TRP A 34 8.658 -11.379 -24.438 1.00 52.41 C ATOM 516 CD2 TRP A 34 9.475 -11.094 -26.478 1.00 11.20 C ATOM 517 NE1 TRP A 34 7.703 -10.710 -25.175 1.00 11.05 N ATOM 518 CE2 TRP A 34 8.215 -10.531 -26.455 1.00 14.40 C ATOM 519 CE3 TRP A 34 10.264 -11.078 -27.641 1.00 64.41 C ATOM 520 CZ2 TRP A 34 7.633 -9.910 -27.566 1.00 12.33 C ATOM 521 CZ3 TRP A 34 9.667 -10.453 -28.743 1.00 53.03 C ATOM 522 CH2 TRP A 34 8.401 -9.881 -28.736 1.00 61.12 C ATOM 0 H TRP A 34 10.322 -14.212 -23.242 1.00 53.15 H new ATOM 0 HA TRP A 34 10.404 -13.919 -25.996 1.00 72.33 H new ATOM 0 HB2 TRP A 34 11.115 -12.298 -23.648 1.00 25.03 H new ATOM 0 HB3 TRP A 34 11.889 -11.836 -25.151 1.00 25.03 H new ATOM 0 HD1 TRP A 34 8.540 -11.658 -23.401 1.00 52.41 H new ATOM 0 HE1 TRP A 34 6.789 -10.403 -24.842 1.00 11.05 H new ATOM 0 HE3 TRP A 34 11.252 -11.513 -27.682 1.00 64.41 H new ATOM 0 HZ2 TRP A 34 6.645 -9.477 -27.523 1.00 12.33 H new ATOM 0 HZ3 TRP A 34 10.231 -10.413 -29.663 1.00 53.03 H new ATOM 0 HH2 TRP A 34 8.011 -9.416 -29.629 1.00 61.12 H new ATOM 533 N ASN A 35 13.394 -14.325 -24.648 1.00 43.44 N ATOM 534 CA ASN A 35 14.761 -14.723 -24.936 1.00 5.12 C ATOM 535 C ASN A 35 14.908 -16.229 -24.707 1.00 11.31 C ATOM 536 O ASN A 35 15.973 -16.795 -24.950 1.00 74.11 O ATOM 537 CB ASN A 35 15.749 -14.005 -24.014 1.00 52.04 C ATOM 538 CG ASN A 35 15.543 -12.491 -24.061 1.00 24.45 C ATOM 539 OD1 ASN A 35 15.217 -11.850 -23.075 1.00 74.24 O ATOM 540 ND2 ASN A 35 15.750 -11.954 -25.261 1.00 32.14 N ATOM 0 H ASN A 35 13.211 -14.107 -23.669 1.00 43.44 H new ATOM 0 HA ASN A 35 14.978 -14.461 -25.971 1.00 5.12 H new ATOM 0 HB2 ASN A 35 15.622 -14.361 -22.992 1.00 52.04 H new ATOM 0 HB3 ASN A 35 16.770 -14.246 -24.311 1.00 52.04 H new ATOM 0 HD21 ASN A 35 15.637 -10.949 -25.396 1.00 32.14 H new ATOM 0 HD22 ASN A 35 16.021 -12.547 -26.045 1.00 32.14 H new TER 547 ASN A 35