USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 290 hydrogens (0 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 Set 1.1: A 15 TYR OH : rot 180:sc= 0.452 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -177:sc= 1.93 (180deg=0.721) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 12 LYS NZ :NH3+ -157:sc=-0.000269 (180deg=-0.286) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0328) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -0.512 (180deg=-0.955) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -6.323 8.282 -4.073 1.00 55.41 N ATOM 66 CA TRP A 4 -5.583 9.433 -4.577 1.00 43.32 C ATOM 67 C TRP A 4 -6.532 10.545 -5.009 1.00 53.05 C ATOM 68 O TRP A 4 -6.173 11.722 -4.995 1.00 72.41 O ATOM 69 CB TRP A 4 -4.694 9.019 -5.751 1.00 52.45 C ATOM 70 CG TRP A 4 -3.608 8.061 -5.366 1.00 34.13 C ATOM 71 CD1 TRP A 4 -3.685 6.697 -5.353 1.00 13.40 C ATOM 72 CD2 TRP A 4 -2.284 8.394 -4.935 1.00 53.23 C ATOM 73 NE1 TRP A 4 -2.488 6.163 -4.940 1.00 55.04 N ATOM 74 CE2 TRP A 4 -1.612 7.183 -4.679 1.00 73.10 C ATOM 75 CE3 TRP A 4 -1.600 9.597 -4.743 1.00 51.54 C ATOM 76 CZ2 TRP A 4 -0.292 7.143 -4.240 1.00 45.22 C ATOM 77 CZ3 TRP A 4 -0.289 9.556 -4.308 1.00 14.34 C ATOM 78 CH2 TRP A 4 0.354 8.336 -4.061 1.00 1.34 C ATOM 0 HA TRP A 4 -4.955 9.811 -3.770 1.00 43.32 H new ATOM 0 HB2 TRP A 4 -5.314 8.563 -6.523 1.00 52.45 H new ATOM 0 HB3 TRP A 4 -4.244 9.910 -6.188 1.00 52.45 H new ATOM 0 HD1 TRP A 4 -4.558 6.123 -5.627 1.00 13.40 H new ATOM 0 HE1 TRP A 4 -2.285 5.168 -4.843 1.00 55.04 H new ATOM 0 HE3 TRP A 4 -2.087 10.542 -4.931 1.00 51.54 H new ATOM 0 HZ2 TRP A 4 0.205 6.204 -4.047 1.00 45.22 H new ATOM 0 HZ3 TRP A 4 0.249 10.480 -4.156 1.00 14.34 H new ATOM 0 HH2 TRP A 4 1.380 8.337 -3.723 1.00 1.34 H new ATOM 89 N GLY A 5 -7.747 10.164 -5.394 1.00 10.22 N ATOM 90 CA GLY A 5 -8.729 11.142 -5.825 1.00 32.24 C ATOM 91 C GLY A 5 -8.926 12.251 -4.811 1.00 15.23 C ATOM 92 O GLY A 5 -9.272 13.377 -5.170 1.00 35.13 O ATOM 0 H GLY A 5 -8.068 9.196 -5.415 1.00 10.22 H new ATOM 0 HA2 GLY A 5 -8.414 11.574 -6.775 1.00 32.24 H new ATOM 0 HA3 GLY A 5 -9.681 10.642 -6.002 1.00 32.24 H new ATOM 96 N LYS A 6 -8.708 11.934 -3.539 1.00 62.00 N ATOM 97 CA LYS A 6 -8.864 12.912 -2.468 1.00 63.55 C ATOM 98 C LYS A 6 -7.838 14.033 -2.602 1.00 32.21 C ATOM 99 O LYS A 6 -8.195 15.210 -2.665 1.00 50.04 O ATOM 100 CB LYS A 6 -8.718 12.233 -1.105 1.00 31.52 C ATOM 101 CG LYS A 6 -8.979 13.161 0.068 1.00 13.42 C ATOM 102 CD LYS A 6 -8.913 12.419 1.393 1.00 54.44 C ATOM 103 CE LYS A 6 -9.991 12.897 2.353 1.00 15.14 C ATOM 104 NZ LYS A 6 -9.533 12.851 3.769 1.00 24.23 N ATOM 0 H LYS A 6 -8.423 11.007 -3.224 1.00 62.00 H new ATOM 0 HA LYS A 6 -9.861 13.345 -2.547 1.00 63.55 H new ATOM 0 HB2 LYS A 6 -9.408 11.391 -1.052 1.00 31.52 H new ATOM 0 HB3 LYS A 6 -7.711 11.825 -1.018 1.00 31.52 H new ATOM 0 HG2 LYS A 6 -8.246 13.968 0.065 1.00 13.42 H new ATOM 0 HG3 LYS A 6 -9.960 13.622 -0.043 1.00 13.42 H new ATOM 0 HD2 LYS A 6 -9.028 11.349 1.218 1.00 54.44 H new ATOM 0 HD3 LYS A 6 -7.932 12.565 1.844 1.00 54.44 H new ATOM 0 HE2 LYS A 6 -10.279 13.917 2.097 1.00 15.14 H new ATOM 0 HE3 LYS A 6 -10.880 12.277 2.239 1.00 15.14 H new ATOM 0 HZ1 LYS A 6 -10.296 13.185 4.392 1.00 24.23 H new ATOM 0 HZ2 LYS A 6 -9.282 11.874 4.021 1.00 24.23 H new ATOM 0 HZ3 LYS A 6 -8.700 13.463 3.884 1.00 24.23 H new ATOM 118 N LEU A 7 -6.564 13.660 -2.645 1.00 43.54 N ATOM 119 CA LEU A 7 -5.486 14.635 -2.773 1.00 41.22 C ATOM 120 C LEU A 7 -5.560 15.357 -4.115 1.00 74.31 C ATOM 121 O LEU A 7 -5.325 16.562 -4.197 1.00 50.35 O ATOM 122 CB LEU A 7 -4.128 13.946 -2.627 1.00 32.33 C ATOM 123 CG LEU A 7 -3.150 14.592 -1.645 1.00 63.04 C ATOM 124 CD1 LEU A 7 -2.028 13.626 -1.296 1.00 51.20 C ATOM 125 CD2 LEU A 7 -2.585 15.880 -2.226 1.00 11.41 C ATOM 0 H LEU A 7 -6.252 12.690 -2.593 1.00 43.54 H new ATOM 0 HA LEU A 7 -5.601 15.372 -1.978 1.00 41.22 H new ATOM 0 HB2 LEU A 7 -4.298 12.915 -2.315 1.00 32.33 H new ATOM 0 HB3 LEU A 7 -3.655 13.908 -3.608 1.00 32.33 H new ATOM 0 HG LEU A 7 -3.690 14.835 -0.730 1.00 63.04 H new ATOM 0 HD11 LEU A 7 -1.342 14.103 -0.596 1.00 51.20 H new ATOM 0 HD12 LEU A 7 -2.448 12.730 -0.839 1.00 51.20 H new ATOM 0 HD13 LEU A 7 -1.489 13.352 -2.203 1.00 51.20 H new ATOM 0 HD21 LEU A 7 -1.891 16.327 -1.514 1.00 11.41 H new ATOM 0 HD22 LEU A 7 -2.060 15.660 -3.156 1.00 11.41 H new ATOM 0 HD23 LEU A 7 -3.399 16.577 -2.425 1.00 11.41 H new ATOM 137 N PHE A 8 -5.891 14.611 -5.164 1.00 54.22 N ATOM 138 CA PHE A 8 -5.999 15.180 -6.503 1.00 24.22 C ATOM 139 C PHE A 8 -7.131 16.201 -6.571 1.00 24.20 C ATOM 140 O PHE A 8 -6.927 17.342 -6.984 1.00 54.33 O ATOM 141 CB PHE A 8 -6.232 14.073 -7.533 1.00 33.11 C ATOM 142 CG PHE A 8 -4.963 13.457 -8.050 1.00 14.25 C ATOM 143 CD1 PHE A 8 -3.981 13.024 -7.173 1.00 74.23 C ATOM 144 CD2 PHE A 8 -4.753 13.311 -9.411 1.00 42.42 C ATOM 145 CE1 PHE A 8 -2.813 12.458 -7.646 1.00 64.32 C ATOM 146 CE2 PHE A 8 -3.586 12.746 -9.890 1.00 31.40 C ATOM 147 CZ PHE A 8 -2.615 12.317 -9.006 1.00 52.31 C ATOM 0 H PHE A 8 -6.089 13.612 -5.113 1.00 54.22 H new ATOM 0 HA PHE A 8 -5.062 15.688 -6.732 1.00 24.22 H new ATOM 0 HB2 PHE A 8 -6.848 13.294 -7.084 1.00 33.11 H new ATOM 0 HB3 PHE A 8 -6.796 14.481 -8.372 1.00 33.11 H new ATOM 0 HD1 PHE A 8 -4.131 13.130 -6.109 1.00 74.23 H new ATOM 0 HD2 PHE A 8 -5.510 13.643 -10.106 1.00 42.42 H new ATOM 0 HE1 PHE A 8 -2.055 12.126 -6.953 1.00 64.32 H new ATOM 0 HE2 PHE A 8 -3.434 12.640 -10.954 1.00 31.40 H new ATOM 0 HZ PHE A 8 -1.703 11.872 -9.377 1.00 52.31 H new ATOM 157 N SER A 9 -8.324 15.781 -6.163 1.00 22.41 N ATOM 158 CA SER A 9 -9.490 16.656 -6.181 1.00 61.14 C ATOM 159 C SER A 9 -9.251 17.897 -5.327 1.00 42.44 C ATOM 160 O SER A 9 -9.467 19.025 -5.774 1.00 74.50 O ATOM 161 CB SER A 9 -10.725 15.906 -5.677 1.00 44.33 C ATOM 162 OG SER A 9 -11.762 16.807 -5.332 1.00 14.34 O ATOM 0 H SER A 9 -8.509 14.840 -5.816 1.00 22.41 H new ATOM 0 HA SER A 9 -9.661 16.972 -7.210 1.00 61.14 H new ATOM 0 HB2 SER A 9 -11.077 15.219 -6.447 1.00 44.33 H new ATOM 0 HB3 SER A 9 -10.459 15.303 -4.809 1.00 44.33 H new ATOM 0 HG SER A 9 -12.541 16.304 -5.014 1.00 14.34 H new ATOM 168 N THR A 10 -8.802 17.683 -4.094 1.00 73.44 N ATOM 169 CA THR A 10 -8.534 18.782 -3.176 1.00 55.22 C ATOM 170 C THR A 10 -7.530 19.763 -3.771 1.00 20.33 C ATOM 171 O THR A 10 -7.795 20.961 -3.857 1.00 41.30 O ATOM 172 CB THR A 10 -7.997 18.269 -1.827 1.00 10.21 C ATOM 173 OG1 THR A 10 -8.915 17.328 -1.260 1.00 14.34 O ATOM 174 CG2 THR A 10 -7.780 19.421 -0.858 1.00 1.34 C ATOM 0 H THR A 10 -8.616 16.757 -3.708 1.00 73.44 H new ATOM 0 HA THR A 10 -9.482 19.293 -3.010 1.00 55.22 H new ATOM 0 HB THR A 10 -7.040 17.779 -2.005 1.00 10.21 H new ATOM 0 HG1 THR A 10 -8.809 16.460 -1.703 1.00 14.34 H new ATOM 0 HG21 THR A 10 -7.401 19.034 0.088 1.00 1.34 H new ATOM 0 HG22 THR A 10 -7.058 20.120 -1.280 1.00 1.34 H new ATOM 0 HG23 THR A 10 -8.726 19.935 -0.686 1.00 1.34 H new ATOM 182 N ALA A 11 -6.376 19.245 -4.180 1.00 13.40 N ATOM 183 CA ALA A 11 -5.333 20.076 -4.769 1.00 71.52 C ATOM 184 C ALA A 11 -5.873 20.883 -5.945 1.00 3.12 C ATOM 185 O ALA A 11 -5.709 22.102 -6.002 1.00 2.14 O ATOM 186 CB ALA A 11 -4.160 19.214 -5.212 1.00 72.35 C ATOM 0 H ALA A 11 -6.140 18.255 -4.114 1.00 13.40 H new ATOM 0 HA ALA A 11 -4.988 20.777 -4.009 1.00 71.52 H new ATOM 0 HB1 ALA A 11 -3.388 19.847 -5.650 1.00 72.35 H new ATOM 0 HB2 ALA A 11 -3.751 18.686 -4.351 1.00 72.35 H new ATOM 0 HB3 ALA A 11 -4.500 18.490 -5.953 1.00 72.35 H new ATOM 192 N LYS A 12 -6.516 20.196 -6.882 1.00 55.35 N ATOM 193 CA LYS A 12 -7.081 20.849 -8.058 1.00 13.14 C ATOM 194 C LYS A 12 -7.982 22.012 -7.654 1.00 31.12 C ATOM 195 O LYS A 12 -7.874 23.112 -8.196 1.00 74.23 O ATOM 196 CB LYS A 12 -7.874 19.842 -8.894 1.00 13.21 C ATOM 197 CG LYS A 12 -7.765 20.075 -10.391 1.00 21.02 C ATOM 198 CD LYS A 12 -8.942 20.879 -10.918 1.00 5.45 C ATOM 199 CE LYS A 12 -9.446 20.328 -12.242 1.00 64.43 C ATOM 200 NZ LYS A 12 -8.346 20.176 -13.235 1.00 4.24 N ATOM 0 H LYS A 12 -6.659 19.187 -6.851 1.00 55.35 H new ATOM 0 HA LYS A 12 -6.258 21.241 -8.656 1.00 13.14 H new ATOM 0 HB2 LYS A 12 -7.523 18.836 -8.665 1.00 13.21 H new ATOM 0 HB3 LYS A 12 -8.923 19.887 -8.603 1.00 13.21 H new ATOM 0 HG2 LYS A 12 -6.836 20.601 -10.611 1.00 21.02 H new ATOM 0 HG3 LYS A 12 -7.718 19.116 -10.907 1.00 21.02 H new ATOM 0 HD2 LYS A 12 -9.750 20.866 -10.186 1.00 5.45 H new ATOM 0 HD3 LYS A 12 -8.645 21.920 -11.046 1.00 5.45 H new ATOM 0 HE2 LYS A 12 -9.921 19.361 -12.076 1.00 64.43 H new ATOM 0 HE3 LYS A 12 -10.210 20.993 -12.645 1.00 64.43 H new ATOM 0 HZ1 LYS A 12 -8.743 20.182 -14.196 1.00 4.24 H new ATOM 0 HZ2 LYS A 12 -7.675 20.964 -13.133 1.00 4.24 H new ATOM 0 HZ3 LYS A 12 -7.851 19.276 -13.070 1.00 4.24 H new ATOM 214 N LYS A 13 -8.870 21.762 -6.697 1.00 42.22 N ATOM 215 CA LYS A 13 -9.788 22.788 -6.218 1.00 1.42 C ATOM 216 C LYS A 13 -9.024 23.999 -5.692 1.00 1.33 C ATOM 217 O LYS A 13 -9.168 25.109 -6.207 1.00 21.12 O ATOM 218 CB LYS A 13 -10.688 22.223 -5.117 1.00 73.43 C ATOM 219 CG LYS A 13 -12.172 22.387 -5.401 1.00 25.34 C ATOM 220 CD LYS A 13 -12.855 21.043 -5.591 1.00 21.02 C ATOM 221 CE LYS A 13 -14.311 21.211 -5.997 1.00 70.22 C ATOM 222 NZ LYS A 13 -15.200 20.253 -5.284 1.00 21.54 N ATOM 0 H LYS A 13 -8.973 20.857 -6.238 1.00 42.22 H new ATOM 0 HA LYS A 13 -10.407 23.106 -7.057 1.00 1.42 H new ATOM 0 HB2 LYS A 13 -10.466 21.164 -4.986 1.00 73.43 H new ATOM 0 HB3 LYS A 13 -10.450 22.717 -4.175 1.00 73.43 H new ATOM 0 HG2 LYS A 13 -12.644 22.923 -4.577 1.00 25.34 H new ATOM 0 HG3 LYS A 13 -12.307 22.995 -6.296 1.00 25.34 H new ATOM 0 HD2 LYS A 13 -12.327 20.470 -6.353 1.00 21.02 H new ATOM 0 HD3 LYS A 13 -12.798 20.470 -4.665 1.00 21.02 H new ATOM 0 HE2 LYS A 13 -14.632 22.231 -5.785 1.00 70.22 H new ATOM 0 HE3 LYS A 13 -14.407 21.064 -7.073 1.00 70.22 H new ATOM 0 HZ1 LYS A 13 -16.184 20.400 -5.588 1.00 21.54 H new ATOM 0 HZ2 LYS A 13 -14.910 19.279 -5.506 1.00 21.54 H new ATOM 0 HZ3 LYS A 13 -15.128 20.410 -4.258 1.00 21.54 H new ATOM 236 N LEU A 14 -8.211 23.779 -4.665 1.00 5.22 N ATOM 237 CA LEU A 14 -7.422 24.853 -4.070 1.00 22.43 C ATOM 238 C LEU A 14 -6.633 25.605 -5.137 1.00 15.01 C ATOM 239 O LEU A 14 -6.456 26.820 -5.051 1.00 14.41 O ATOM 240 CB LEU A 14 -6.466 24.287 -3.017 1.00 54.05 C ATOM 241 CG LEU A 14 -6.842 24.550 -1.559 1.00 13.51 C ATOM 242 CD1 LEU A 14 -6.229 23.496 -0.651 1.00 32.22 C ATOM 243 CD2 LEU A 14 -6.398 25.944 -1.137 1.00 32.50 C ATOM 0 H LEU A 14 -8.081 22.867 -4.227 1.00 5.22 H new ATOM 0 HA LEU A 14 -8.108 25.552 -3.592 1.00 22.43 H new ATOM 0 HB2 LEU A 14 -6.393 23.209 -3.164 1.00 54.05 H new ATOM 0 HB3 LEU A 14 -5.474 24.701 -3.196 1.00 54.05 H new ATOM 0 HG LEU A 14 -7.927 24.492 -1.467 1.00 13.51 H new ATOM 0 HD11 LEU A 14 -6.508 23.700 0.383 1.00 32.22 H new ATOM 0 HD12 LEU A 14 -6.596 22.511 -0.938 1.00 32.22 H new ATOM 0 HD13 LEU A 14 -5.143 23.521 -0.746 1.00 32.22 H new ATOM 0 HD21 LEU A 14 -6.674 26.114 -0.096 1.00 32.50 H new ATOM 0 HD22 LEU A 14 -5.317 26.030 -1.245 1.00 32.50 H new ATOM 0 HD23 LEU A 14 -6.885 26.688 -1.768 1.00 32.50 H new ATOM 255 N TYR A 15 -6.164 24.875 -6.143 1.00 12.33 N ATOM 256 CA TYR A 15 -5.395 25.474 -7.227 1.00 64.50 C ATOM 257 C TYR A 15 -6.239 26.478 -8.005 1.00 11.33 C ATOM 258 O TYR A 15 -5.966 27.679 -7.993 1.00 21.25 O ATOM 259 CB TYR A 15 -4.875 24.388 -8.171 1.00 73.13 C ATOM 260 CG TYR A 15 -4.125 24.933 -9.366 1.00 20.43 C ATOM 261 CD1 TYR A 15 -2.983 25.707 -9.200 1.00 75.00 C ATOM 262 CD2 TYR A 15 -4.557 24.672 -10.660 1.00 74.42 C ATOM 263 CE1 TYR A 15 -2.295 26.207 -10.288 1.00 55.14 C ATOM 264 CE2 TYR A 15 -3.875 25.166 -11.755 1.00 2.54 C ATOM 265 CZ TYR A 15 -2.745 25.934 -11.564 1.00 2.04 C ATOM 266 OH TYR A 15 -2.061 26.429 -12.650 1.00 54.25 O ATOM 0 H TYR A 15 -6.303 23.868 -6.230 1.00 12.33 H new ATOM 0 HA TYR A 15 -4.548 26.002 -6.789 1.00 64.50 H new ATOM 0 HB2 TYR A 15 -4.219 23.719 -7.615 1.00 73.13 H new ATOM 0 HB3 TYR A 15 -5.716 23.790 -8.522 1.00 73.13 H new ATOM 0 HD1 TYR A 15 -2.627 25.921 -8.203 1.00 75.00 H new ATOM 0 HD2 TYR A 15 -5.442 24.072 -10.813 1.00 74.42 H new ATOM 0 HE1 TYR A 15 -1.410 26.808 -10.141 1.00 55.14 H new ATOM 0 HE2 TYR A 15 -4.224 24.952 -12.754 1.00 2.54 H new ATOM 0 HH TYR A 15 -2.507 26.145 -13.475 1.00 54.25 H new ATOM 276 N LYS A 16 -7.268 25.979 -8.681 1.00 20.53 N ATOM 277 CA LYS A 16 -8.156 26.830 -9.464 1.00 21.15 C ATOM 278 C LYS A 16 -8.757 27.931 -8.597 1.00 15.44 C ATOM 279 O LYS A 16 -8.568 29.118 -8.862 1.00 43.55 O ATOM 280 CB LYS A 16 -9.273 25.995 -10.093 1.00 61.52 C ATOM 281 CG LYS A 16 -8.964 25.534 -11.507 1.00 73.42 C ATOM 282 CD LYS A 16 -8.791 26.711 -12.452 1.00 70.22 C ATOM 283 CE LYS A 16 -9.700 26.590 -13.666 1.00 31.03 C ATOM 284 NZ LYS A 16 -11.136 26.737 -13.300 1.00 31.32 N ATOM 0 H LYS A 16 -7.508 24.988 -8.702 1.00 20.53 H new ATOM 0 HA LYS A 16 -7.568 27.295 -10.256 1.00 21.15 H new ATOM 0 HB2 LYS A 16 -9.459 25.122 -9.467 1.00 61.52 H new ATOM 0 HB3 LYS A 16 -10.192 26.581 -10.103 1.00 61.52 H new ATOM 0 HG2 LYS A 16 -8.055 24.932 -11.504 1.00 73.42 H new ATOM 0 HG3 LYS A 16 -9.769 24.893 -11.866 1.00 73.42 H new ATOM 0 HD2 LYS A 16 -9.010 27.639 -11.923 1.00 70.22 H new ATOM 0 HD3 LYS A 16 -7.752 26.768 -12.778 1.00 70.22 H new ATOM 0 HE2 LYS A 16 -9.432 27.352 -14.398 1.00 31.03 H new ATOM 0 HE3 LYS A 16 -9.544 25.622 -14.142 1.00 31.03 H new ATOM 0 HZ1 LYS A 16 -11.702 26.869 -14.162 1.00 31.32 H new ATOM 0 HZ2 LYS A 16 -11.457 25.882 -12.803 1.00 31.32 H new ATOM 0 HZ3 LYS A 16 -11.253 27.563 -12.679 1.00 31.32 H new ATOM 298 N LYS A 17 -9.483 27.531 -7.558 1.00 25.22 N ATOM 299 CA LYS A 17 -10.110 28.483 -6.649 1.00 40.13 C ATOM 300 C LYS A 17 -9.081 29.460 -6.089 1.00 61.31 C ATOM 301 O LYS A 17 -9.395 30.616 -5.811 1.00 15.04 O ATOM 302 CB LYS A 17 -10.804 27.744 -5.503 1.00 55.30 C ATOM 303 CG LYS A 17 -9.853 27.279 -4.414 1.00 61.14 C ATOM 304 CD LYS A 17 -9.725 28.311 -3.307 1.00 42.50 C ATOM 305 CE LYS A 17 -8.306 28.372 -2.763 1.00 2.01 C ATOM 306 NZ LYS A 17 -7.997 29.700 -2.165 1.00 13.42 N ATOM 0 H LYS A 17 -9.652 26.552 -7.325 1.00 25.22 H new ATOM 0 HA LYS A 17 -10.853 29.049 -7.211 1.00 40.13 H new ATOM 0 HB2 LYS A 17 -11.555 28.399 -5.062 1.00 55.30 H new ATOM 0 HB3 LYS A 17 -11.332 26.880 -5.906 1.00 55.30 H new ATOM 0 HG2 LYS A 17 -10.210 26.338 -3.996 1.00 61.14 H new ATOM 0 HG3 LYS A 17 -8.871 27.084 -4.846 1.00 61.14 H new ATOM 0 HD2 LYS A 17 -10.012 29.291 -3.687 1.00 42.50 H new ATOM 0 HD3 LYS A 17 -10.415 28.067 -2.499 1.00 42.50 H new ATOM 0 HE2 LYS A 17 -8.172 27.595 -2.010 1.00 2.01 H new ATOM 0 HE3 LYS A 17 -7.600 28.163 -3.567 1.00 2.01 H new ATOM 0 HZ1 LYS A 17 -6.966 29.828 -2.117 1.00 13.42 H new ATOM 0 HZ2 LYS A 17 -8.412 30.451 -2.753 1.00 13.42 H new ATOM 0 HZ3 LYS A 17 -8.397 29.751 -1.206 1.00 13.42 H new ATOM 320 N GLY A 18 -7.849 28.986 -5.928 1.00 2.45 N ATOM 321 CA GLY A 18 -6.792 29.832 -5.403 1.00 34.33 C ATOM 322 C GLY A 18 -6.479 31.002 -6.314 1.00 71.42 C ATOM 323 O GLY A 18 -6.490 32.155 -5.883 1.00 72.14 O ATOM 0 H GLY A 18 -7.564 28.032 -6.151 1.00 2.45 H new ATOM 0 HA2 GLY A 18 -7.085 30.207 -4.422 1.00 34.33 H new ATOM 0 HA3 GLY A 18 -5.891 29.236 -5.260 1.00 34.33 H new ATOM 327 N LYS A 19 -6.197 30.705 -7.578 1.00 42.44 N ATOM 328 CA LYS A 19 -5.878 31.741 -8.554 1.00 71.34 C ATOM 329 C LYS A 19 -7.059 32.687 -8.749 1.00 5.12 C ATOM 330 O LYS A 19 -6.923 33.903 -8.609 1.00 23.20 O ATOM 331 CB LYS A 19 -5.493 31.107 -9.893 1.00 41.22 C ATOM 332 CG LYS A 19 -4.498 29.967 -9.763 1.00 34.45 C ATOM 333 CD LYS A 19 -4.980 28.721 -10.488 1.00 2.22 C ATOM 334 CE LYS A 19 -5.012 28.931 -11.994 1.00 33.21 C ATOM 335 NZ LYS A 19 -3.677 28.705 -12.614 1.00 75.03 N ATOM 0 H LYS A 19 -6.183 29.756 -7.951 1.00 42.44 H new ATOM 0 HA LYS A 19 -5.033 32.316 -8.174 1.00 71.34 H new ATOM 0 HB2 LYS A 19 -6.394 30.738 -10.383 1.00 41.22 H new ATOM 0 HB3 LYS A 19 -5.070 31.875 -10.541 1.00 41.22 H new ATOM 0 HG2 LYS A 19 -3.535 30.276 -10.169 1.00 34.45 H new ATOM 0 HG3 LYS A 19 -4.341 29.738 -8.709 1.00 34.45 H new ATOM 0 HD2 LYS A 19 -4.324 27.883 -10.250 1.00 2.22 H new ATOM 0 HD3 LYS A 19 -5.977 28.456 -10.135 1.00 2.22 H new ATOM 0 HE2 LYS A 19 -5.739 28.252 -12.440 1.00 33.21 H new ATOM 0 HE3 LYS A 19 -5.347 29.945 -12.212 1.00 33.21 H new ATOM 0 HZ1 LYS A 19 -3.729 28.907 -13.633 1.00 75.03 H new ATOM 0 HZ2 LYS A 19 -2.978 29.334 -12.171 1.00 75.03 H new ATOM 0 HZ3 LYS A 19 -3.391 27.715 -12.472 1.00 75.03 H new ATOM 349 N LYS A 20 -8.217 32.122 -9.071 1.00 12.04 N ATOM 350 CA LYS A 20 -9.423 32.914 -9.282 1.00 1.35 C ATOM 351 C LYS A 20 -9.689 33.829 -8.090 1.00 25.42 C ATOM 352 O LYS A 20 -10.130 34.967 -8.254 1.00 34.32 O ATOM 353 CB LYS A 20 -10.626 31.998 -9.513 1.00 34.32 C ATOM 354 CG LYS A 20 -10.480 31.096 -10.726 1.00 41.14 C ATOM 355 CD LYS A 20 -11.145 31.699 -11.953 1.00 5.15 C ATOM 356 CE LYS A 20 -10.207 31.703 -13.150 1.00 24.21 C ATOM 357 NZ LYS A 20 -9.582 33.038 -13.361 1.00 25.13 N ATOM 0 H LYS A 20 -8.346 31.117 -9.192 1.00 12.04 H new ATOM 0 HA LYS A 20 -9.270 33.533 -10.166 1.00 1.35 H new ATOM 0 HB2 LYS A 20 -10.777 31.380 -8.628 1.00 34.32 H new ATOM 0 HB3 LYS A 20 -11.520 32.610 -9.631 1.00 34.32 H new ATOM 0 HG2 LYS A 20 -9.423 30.927 -10.930 1.00 41.14 H new ATOM 0 HG3 LYS A 20 -10.922 30.123 -10.512 1.00 41.14 H new ATOM 0 HD2 LYS A 20 -12.044 31.133 -12.196 1.00 5.15 H new ATOM 0 HD3 LYS A 20 -11.460 32.719 -11.733 1.00 5.15 H new ATOM 0 HE2 LYS A 20 -9.427 30.956 -13.002 1.00 24.21 H new ATOM 0 HE3 LYS A 20 -10.759 31.415 -14.045 1.00 24.21 H new ATOM 0 HZ1 LYS A 20 -8.950 32.999 -14.186 1.00 25.13 H new ATOM 0 HZ2 LYS A 20 -10.325 33.747 -13.527 1.00 25.13 H new ATOM 0 HZ3 LYS A 20 -9.034 33.302 -12.517 1.00 25.13 H new ATOM 473 N PHE A 27 -15.586 37.093 -7.514 1.00 2.21 N ATOM 474 CA PHE A 27 -15.786 35.947 -8.393 1.00 40.12 C ATOM 475 C PHE A 27 -16.474 34.806 -7.651 1.00 33.45 C ATOM 476 O PHE A 27 -17.259 34.055 -8.231 1.00 42.13 O ATOM 477 CB PHE A 27 -14.446 35.469 -8.956 1.00 40.45 C ATOM 478 CG PHE A 27 -14.558 34.833 -10.312 1.00 53.35 C ATOM 479 CD1 PHE A 27 -14.464 35.601 -11.462 1.00 63.22 C ATOM 480 CD2 PHE A 27 -14.758 33.468 -10.437 1.00 60.05 C ATOM 481 CE1 PHE A 27 -14.567 35.018 -12.711 1.00 75.01 C ATOM 482 CE2 PHE A 27 -14.862 32.879 -11.684 1.00 12.42 C ATOM 483 CZ PHE A 27 -14.766 33.656 -12.822 1.00 63.41 C ATOM 0 HA PHE A 27 -16.427 36.261 -9.217 1.00 40.12 H new ATOM 0 HB2 PHE A 27 -13.763 36.317 -9.016 1.00 40.45 H new ATOM 0 HB3 PHE A 27 -14.005 34.753 -8.263 1.00 40.45 H new ATOM 0 HD1 PHE A 27 -14.309 36.667 -11.381 1.00 63.22 H new ATOM 0 HD2 PHE A 27 -14.834 32.856 -9.550 1.00 60.05 H new ATOM 0 HE1 PHE A 27 -14.492 35.627 -13.600 1.00 75.01 H new ATOM 0 HE2 PHE A 27 -15.018 31.814 -11.768 1.00 12.42 H new ATOM 0 HZ PHE A 27 -14.846 33.199 -13.797 1.00 63.41 H new ATOM 493 N LYS A 28 -16.174 34.680 -6.362 1.00 55.22 N ATOM 494 CA LYS A 28 -16.763 33.632 -5.538 1.00 33.43 C ATOM 495 C LYS A 28 -18.272 33.818 -5.416 1.00 74.25 C ATOM 496 O LYS A 28 -19.048 32.919 -5.744 1.00 3.13 O ATOM 497 CB LYS A 28 -16.126 33.630 -4.147 1.00 24.25 C ATOM 498 CG LYS A 28 -15.500 32.299 -3.766 1.00 34.02 C ATOM 499 CD LYS A 28 -14.096 32.480 -3.214 1.00 51.02 C ATOM 500 CE LYS A 28 -14.102 32.578 -1.696 1.00 62.43 C ATOM 501 NZ LYS A 28 -14.185 33.990 -1.232 1.00 21.04 N ATOM 0 H LYS A 28 -15.526 35.292 -5.866 1.00 55.22 H new ATOM 0 HA LYS A 28 -16.570 32.674 -6.021 1.00 33.43 H new ATOM 0 HB2 LYS A 28 -15.362 34.406 -4.105 1.00 24.25 H new ATOM 0 HB3 LYS A 28 -16.885 33.890 -3.409 1.00 24.25 H new ATOM 0 HG2 LYS A 28 -16.123 31.803 -3.022 1.00 34.02 H new ATOM 0 HG3 LYS A 28 -15.467 31.648 -4.640 1.00 34.02 H new ATOM 0 HD2 LYS A 28 -13.472 31.642 -3.523 1.00 51.02 H new ATOM 0 HD3 LYS A 28 -13.651 33.381 -3.636 1.00 51.02 H new ATOM 0 HE2 LYS A 28 -14.947 32.015 -1.299 1.00 62.43 H new ATOM 0 HE3 LYS A 28 -13.197 32.118 -1.299 1.00 62.43 H new ATOM 0 HZ1 LYS A 28 -14.187 34.014 -0.192 1.00 21.04 H new ATOM 0 HZ2 LYS A 28 -13.366 34.522 -1.589 1.00 21.04 H new ATOM 0 HZ3 LYS A 28 -15.061 34.422 -1.590 1.00 21.04 H new ATOM 515 N LYS A 29 -18.683 34.990 -4.945 1.00 53.35 N ATOM 516 CA LYS A 29 -20.100 35.296 -4.783 1.00 44.55 C ATOM 517 C LYS A 29 -20.847 35.127 -6.102 1.00 73.51 C ATOM 518 O LYS A 29 -21.911 34.509 -6.148 1.00 41.41 O ATOM 519 CB LYS A 29 -20.278 36.725 -4.265 1.00 4.15 C ATOM 520 CG LYS A 29 -21.575 36.939 -3.504 1.00 24.35 C ATOM 521 CD LYS A 29 -21.394 37.921 -2.358 1.00 70.13 C ATOM 522 CE LYS A 29 -22.247 37.541 -1.158 1.00 75.31 C ATOM 523 NZ LYS A 29 -23.687 37.847 -1.382 1.00 54.20 N ATOM 0 H LYS A 29 -18.055 35.744 -4.668 1.00 53.35 H new ATOM 0 HA LYS A 29 -20.516 34.598 -4.057 1.00 44.55 H new ATOM 0 HB2 LYS A 29 -19.440 36.974 -3.614 1.00 4.15 H new ATOM 0 HB3 LYS A 29 -20.243 37.415 -5.108 1.00 4.15 H new ATOM 0 HG2 LYS A 29 -22.340 37.311 -4.185 1.00 24.35 H new ATOM 0 HG3 LYS A 29 -21.931 35.985 -3.114 1.00 24.35 H new ATOM 0 HD2 LYS A 29 -20.345 37.950 -2.065 1.00 70.13 H new ATOM 0 HD3 LYS A 29 -21.660 38.924 -2.692 1.00 70.13 H new ATOM 0 HE2 LYS A 29 -22.130 36.477 -0.951 1.00 75.31 H new ATOM 0 HE3 LYS A 29 -21.894 38.078 -0.277 1.00 75.31 H new ATOM 0 HZ1 LYS A 29 -24.235 37.574 -0.541 1.00 54.20 H new ATOM 0 HZ2 LYS A 29 -23.803 38.866 -1.554 1.00 54.20 H new ATOM 0 HZ3 LYS A 29 -24.031 37.315 -2.207 1.00 54.20 H new ATOM 537 N ALA A 30 -20.283 35.677 -7.172 1.00 71.32 N ATOM 538 CA ALA A 30 -20.895 35.583 -8.492 1.00 21.41 C ATOM 539 C ALA A 30 -21.054 34.128 -8.921 1.00 24.11 C ATOM 540 O ALA A 30 -22.091 33.738 -9.459 1.00 43.22 O ATOM 541 CB ALA A 30 -20.067 36.349 -9.513 1.00 72.21 C ATOM 0 H ALA A 30 -19.403 36.192 -7.151 1.00 71.32 H new ATOM 0 HA ALA A 30 -21.888 36.029 -8.438 1.00 21.41 H new ATOM 0 HB1 ALA A 30 -20.535 36.270 -10.494 1.00 72.21 H new ATOM 0 HB2 ALA A 30 -20.009 37.398 -9.222 1.00 72.21 H new ATOM 0 HB3 ALA A 30 -19.062 35.928 -9.556 1.00 72.21 H new ATOM 547 N LEU A 31 -20.020 33.329 -8.680 1.00 61.01 N ATOM 548 CA LEU A 31 -20.044 31.916 -9.042 1.00 54.04 C ATOM 549 C LEU A 31 -21.170 31.187 -8.316 1.00 54.12 C ATOM 550 O LEU A 31 -22.074 30.635 -8.944 1.00 52.33 O ATOM 551 CB LEU A 31 -18.702 31.261 -8.713 1.00 3.44 C ATOM 552 CG LEU A 31 -18.575 29.778 -9.060 1.00 32.33 C ATOM 553 CD1 LEU A 31 -18.571 29.581 -10.568 1.00 24.33 C ATOM 554 CD2 LEU A 31 -17.316 29.190 -8.439 1.00 42.45 C ATOM 0 H LEU A 31 -19.155 33.636 -8.235 1.00 61.01 H new ATOM 0 HA LEU A 31 -20.222 31.845 -10.115 1.00 54.04 H new ATOM 0 HB2 LEU A 31 -17.917 31.805 -9.238 1.00 3.44 H new ATOM 0 HB3 LEU A 31 -18.514 31.381 -7.646 1.00 3.44 H new ATOM 0 HG LEU A 31 -19.437 29.253 -8.648 1.00 32.33 H new ATOM 0 HD11 LEU A 31 -18.480 28.519 -10.796 1.00 24.33 H new ATOM 0 HD12 LEU A 31 -19.501 29.964 -10.987 1.00 24.33 H new ATOM 0 HD13 LEU A 31 -17.729 30.119 -11.003 1.00 24.33 H new ATOM 0 HD21 LEU A 31 -17.242 28.133 -8.697 1.00 42.45 H new ATOM 0 HD22 LEU A 31 -16.442 29.718 -8.820 1.00 42.45 H new ATOM 0 HD23 LEU A 31 -17.361 29.297 -7.355 1.00 42.45 H new ATOM 566 N LYS A 32 -21.111 31.191 -6.989 1.00 20.52 N ATOM 567 CA LYS A 32 -22.127 30.533 -6.175 1.00 42.13 C ATOM 568 C LYS A 32 -23.525 31.002 -6.566 1.00 44.14 C ATOM 569 O LYS A 32 -24.423 30.190 -6.788 1.00 52.34 O ATOM 570 CB LYS A 32 -21.880 30.812 -4.691 1.00 13.40 C ATOM 571 CG LYS A 32 -21.063 29.737 -3.997 1.00 64.22 C ATOM 572 CD LYS A 32 -21.622 29.410 -2.623 1.00 11.43 C ATOM 573 CE LYS A 32 -20.513 29.120 -1.624 1.00 25.41 C ATOM 574 NZ LYS A 32 -20.076 27.697 -1.679 1.00 3.02 N ATOM 0 H LYS A 32 -20.370 31.643 -6.453 1.00 20.52 H new ATOM 0 HA LYS A 32 -22.060 29.460 -6.352 1.00 42.13 H new ATOM 0 HB2 LYS A 32 -21.366 31.768 -4.590 1.00 13.40 H new ATOM 0 HB3 LYS A 32 -22.840 30.911 -4.184 1.00 13.40 H new ATOM 0 HG2 LYS A 32 -21.051 28.836 -4.610 1.00 64.22 H new ATOM 0 HG3 LYS A 32 -20.030 30.070 -3.900 1.00 64.22 H new ATOM 0 HD2 LYS A 32 -22.225 30.245 -2.266 1.00 11.43 H new ATOM 0 HD3 LYS A 32 -22.284 28.547 -2.694 1.00 11.43 H new ATOM 0 HE2 LYS A 32 -19.662 29.770 -1.827 1.00 25.41 H new ATOM 0 HE3 LYS A 32 -20.860 29.355 -0.618 1.00 25.41 H new ATOM 0 HZ1 LYS A 32 -19.319 27.539 -0.983 1.00 3.02 H new ATOM 0 HZ2 LYS A 32 -20.882 27.078 -1.460 1.00 3.02 H new ATOM 0 HZ3 LYS A 32 -19.721 27.479 -2.632 1.00 3.02 H new ATOM 588 N PHE A 33 -23.701 32.317 -6.650 1.00 63.44 N ATOM 589 CA PHE A 33 -24.989 32.893 -7.016 1.00 13.54 C ATOM 590 C PHE A 33 -25.503 32.295 -8.322 1.00 22.43 C ATOM 591 O PHE A 33 -26.582 31.705 -8.365 1.00 64.12 O ATOM 592 CB PHE A 33 -24.872 34.413 -7.150 1.00 11.25 C ATOM 593 CG PHE A 33 -26.191 35.126 -7.058 1.00 43.50 C ATOM 594 CD1 PHE A 33 -26.971 35.024 -5.917 1.00 41.35 C ATOM 595 CD2 PHE A 33 -26.650 35.900 -8.112 1.00 62.41 C ATOM 596 CE1 PHE A 33 -28.185 35.679 -5.831 1.00 41.11 C ATOM 597 CE2 PHE A 33 -27.863 36.557 -8.031 1.00 50.14 C ATOM 598 CZ PHE A 33 -28.631 36.447 -6.889 1.00 0.32 C ATOM 0 H PHE A 33 -22.968 33.003 -6.470 1.00 63.44 H new ATOM 0 HA PHE A 33 -25.701 32.658 -6.225 1.00 13.54 H new ATOM 0 HB2 PHE A 33 -24.210 34.789 -6.370 1.00 11.25 H new ATOM 0 HB3 PHE A 33 -24.405 34.651 -8.106 1.00 11.25 H new ATOM 0 HD1 PHE A 33 -26.626 34.426 -5.086 1.00 41.35 H new ATOM 0 HD2 PHE A 33 -26.053 35.991 -9.007 1.00 62.41 H new ATOM 0 HE1 PHE A 33 -28.785 35.590 -4.937 1.00 41.11 H new ATOM 0 HE2 PHE A 33 -28.210 37.156 -8.860 1.00 50.14 H new ATOM 0 HZ PHE A 33 -29.579 36.961 -6.823 1.00 0.32 H new ATOM 608 N GLY A 34 -24.721 32.452 -9.386 1.00 22.53 N ATOM 609 CA GLY A 34 -25.113 31.922 -10.679 1.00 3.12 C ATOM 610 C GLY A 34 -25.343 30.424 -10.647 1.00 3.25 C ATOM 611 O GLY A 34 -26.302 29.923 -11.233 1.00 71.40 O ATOM 0 H GLY A 34 -23.823 32.937 -9.376 1.00 22.53 H new ATOM 0 HA2 GLY A 34 -26.025 32.419 -11.011 1.00 3.12 H new ATOM 0 HA3 GLY A 34 -24.340 32.152 -11.412 1.00 3.12 H new ATOM 615 N LYS A 35 -24.460 29.706 -9.961 1.00 3.33 N ATOM 616 CA LYS A 35 -24.570 28.256 -9.854 1.00 5.32 C ATOM 617 C LYS A 35 -25.947 27.852 -9.338 1.00 23.51 C ATOM 618 O LYS A 35 -26.655 27.075 -9.978 1.00 40.01 O ATOM 619 CB LYS A 35 -23.484 27.709 -8.924 1.00 41.13 C ATOM 620 CG LYS A 35 -23.312 26.202 -9.010 1.00 54.42 C ATOM 621 CD LYS A 35 -23.197 25.575 -7.631 1.00 62.22 C ATOM 622 CE LYS A 35 -23.238 24.056 -7.705 1.00 1.13 C ATOM 623 NZ LYS A 35 -21.915 23.483 -8.078 1.00 72.02 N ATOM 0 H LYS A 35 -23.660 30.105 -9.470 1.00 3.33 H new ATOM 0 HA LYS A 35 -24.435 27.832 -10.849 1.00 5.32 H new ATOM 0 HB2 LYS A 35 -22.535 28.189 -9.165 1.00 41.13 H new ATOM 0 HB3 LYS A 35 -23.727 27.981 -7.897 1.00 41.13 H new ATOM 0 HG2 LYS A 35 -24.160 25.768 -9.539 1.00 54.42 H new ATOM 0 HG3 LYS A 35 -22.420 25.969 -9.592 1.00 54.42 H new ATOM 0 HD2 LYS A 35 -22.266 25.893 -7.162 1.00 62.22 H new ATOM 0 HD3 LYS A 35 -24.010 25.932 -6.999 1.00 62.22 H new ATOM 0 HE2 LYS A 35 -23.549 23.654 -6.741 1.00 1.13 H new ATOM 0 HE3 LYS A 35 -23.986 23.748 -8.435 1.00 1.13 H new ATOM 0 HZ1 LYS A 35 -21.985 22.446 -8.118 1.00 72.02 H new ATOM 0 HZ2 LYS A 35 -21.629 23.847 -9.009 1.00 72.02 H new ATOM 0 HZ3 LYS A 35 -21.206 23.755 -7.368 1.00 72.02 H new ATOM 637 N GLN A 36 -26.319 28.384 -8.178 1.00 73.05 N ATOM 638 CA GLN A 36 -27.612 28.078 -7.578 1.00 75.23 C ATOM 639 C GLN A 36 -28.753 28.540 -8.479 1.00 35.42 C ATOM 640 O GLN A 36 -29.761 27.846 -8.628 1.00 4.24 O ATOM 641 CB GLN A 36 -27.731 28.741 -6.205 1.00 23.42 C ATOM 642 CG GLN A 36 -27.892 27.750 -5.063 1.00 64.11 C ATOM 643 CD GLN A 36 -29.108 28.040 -4.206 1.00 70.30 C ATOM 644 OE1 GLN A 36 -29.580 29.175 -4.141 1.00 41.23 O ATOM 645 NE2 GLN A 36 -29.623 27.012 -3.542 1.00 73.41 N ATOM 0 H GLN A 36 -25.744 29.028 -7.636 1.00 73.05 H new ATOM 0 HA GLN A 36 -27.682 26.997 -7.459 1.00 75.23 H new ATOM 0 HB2 GLN A 36 -26.844 29.348 -6.026 1.00 23.42 H new ATOM 0 HB3 GLN A 36 -28.585 29.418 -6.211 1.00 23.42 H new ATOM 0 HG2 GLN A 36 -27.971 26.742 -5.470 1.00 64.11 H new ATOM 0 HG3 GLN A 36 -26.999 27.772 -4.439 1.00 64.11 H new ATOM 0 HE21 GLN A 36 -29.200 26.088 -3.625 1.00 73.41 H new ATOM 0 HE22 GLN A 36 -30.442 27.147 -2.949 1.00 73.41 H new ATOM 654 N LEU A 37 -28.590 29.714 -9.077 1.00 41.31 N ATOM 655 CA LEU A 37 -29.607 30.270 -9.964 1.00 22.45 C ATOM 656 C LEU A 37 -29.969 29.279 -11.065 1.00 31.41 C ATOM 657 O LEU A 37 -31.143 28.979 -11.282 1.00 63.04 O ATOM 658 CB LEU A 37 -29.113 31.579 -10.582 1.00 23.41 C ATOM 659 CG LEU A 37 -29.918 32.831 -10.235 1.00 34.01 C ATOM 660 CD1 LEU A 37 -31.370 32.665 -10.656 1.00 53.32 C ATOM 661 CD2 LEU A 37 -29.824 33.130 -8.746 1.00 11.31 C ATOM 0 H LEU A 37 -27.763 30.300 -8.964 1.00 41.31 H new ATOM 0 HA LEU A 37 -30.500 30.470 -9.372 1.00 22.45 H new ATOM 0 HB2 LEU A 37 -28.081 31.737 -10.271 1.00 23.41 H new ATOM 0 HB3 LEU A 37 -29.105 31.465 -11.666 1.00 23.41 H new ATOM 0 HG LEU A 37 -29.496 33.674 -10.782 1.00 34.01 H new ATOM 0 HD11 LEU A 37 -31.928 33.566 -10.401 1.00 53.32 H new ATOM 0 HD12 LEU A 37 -31.420 32.499 -11.732 1.00 53.32 H new ATOM 0 HD13 LEU A 37 -31.804 31.810 -10.137 1.00 53.32 H new ATOM 0 HD21 LEU A 37 -30.403 34.025 -8.517 1.00 11.31 H new ATOM 0 HD22 LEU A 37 -30.220 32.287 -8.180 1.00 11.31 H new ATOM 0 HD23 LEU A 37 -28.781 33.293 -8.473 1.00 11.31 H new ATOM 673 N ALA A 38 -28.953 28.772 -11.755 1.00 70.44 N ATOM 674 CA ALA A 38 -29.164 27.811 -12.831 1.00 52.02 C ATOM 675 C ALA A 38 -29.696 26.489 -12.290 1.00 33.43 C ATOM 676 O ALA A 38 -30.657 25.930 -12.820 1.00 65.42 O ATOM 677 CB ALA A 38 -27.870 27.587 -13.600 1.00 34.42 C ATOM 0 H ALA A 38 -27.975 29.011 -11.588 1.00 70.44 H new ATOM 0 HA ALA A 38 -29.911 28.222 -13.510 1.00 52.02 H new ATOM 0 HB1 ALA A 38 -28.042 26.867 -14.400 1.00 34.42 H new ATOM 0 HB2 ALA A 38 -27.533 28.531 -14.028 1.00 34.42 H new ATOM 0 HB3 ALA A 38 -27.107 27.202 -12.924 1.00 34.42 H new ATOM 683 N LYS A 39 -29.066 25.992 -11.231 1.00 32.14 N ATOM 684 CA LYS A 39 -29.476 24.735 -10.616 1.00 21.22 C ATOM 685 C LYS A 39 -30.942 24.786 -10.198 1.00 70.11 C ATOM 686 O LYS A 39 -31.629 23.766 -10.186 1.00 74.33 O ATOM 687 CB LYS A 39 -28.599 24.428 -9.400 1.00 45.10 C ATOM 688 CG LYS A 39 -28.095 22.996 -9.359 1.00 72.40 C ATOM 689 CD LYS A 39 -29.064 22.085 -8.623 1.00 4.11 C ATOM 690 CE LYS A 39 -29.048 22.349 -7.125 1.00 42.11 C ATOM 691 NZ LYS A 39 -28.733 21.118 -6.348 1.00 42.23 N ATOM 0 H LYS A 39 -28.269 26.441 -10.780 1.00 32.14 H new ATOM 0 HA LYS A 39 -29.354 23.942 -11.354 1.00 21.22 H new ATOM 0 HB2 LYS A 39 -27.745 25.105 -9.399 1.00 45.10 H new ATOM 0 HB3 LYS A 39 -29.168 24.630 -8.492 1.00 45.10 H new ATOM 0 HG2 LYS A 39 -27.951 22.631 -10.376 1.00 72.40 H new ATOM 0 HG3 LYS A 39 -27.122 22.966 -8.869 1.00 72.40 H new ATOM 0 HD2 LYS A 39 -30.072 22.236 -9.009 1.00 4.11 H new ATOM 0 HD3 LYS A 39 -28.802 21.044 -8.813 1.00 4.11 H new ATOM 0 HE2 LYS A 39 -28.310 23.119 -6.900 1.00 42.11 H new ATOM 0 HE3 LYS A 39 -30.018 22.736 -6.814 1.00 42.11 H new ATOM 0 HZ1 LYS A 39 -28.732 21.340 -5.332 1.00 42.23 H new ATOM 0 HZ2 LYS A 39 -29.451 20.391 -6.543 1.00 42.23 H new ATOM 0 HZ3 LYS A 39 -27.796 20.762 -6.626 1.00 42.23 H new