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 Single : A 6 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0474) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 82:sc= 0.82 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= -0.429 (180deg=-0.879) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : 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+ 146:sc= -0.122 (180deg=-0.812) 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+ -161:sc= -0.0284 (180deg=-0.195) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -4.691 7.412 -1.661 1.00 2.12 N ATOM 66 CA TRP A 4 -5.408 8.492 -0.992 1.00 20.32 C ATOM 67 C TRP A 4 -4.662 9.814 -1.139 1.00 75.51 C ATOM 68 O TRP A 4 -5.271 10.858 -1.366 1.00 50.33 O ATOM 69 CB TRP A 4 -5.600 8.163 0.489 1.00 34.25 C ATOM 70 CG TRP A 4 -6.199 6.809 0.724 1.00 31.04 C ATOM 71 CD1 TRP A 4 -5.730 5.840 1.565 1.00 61.14 C ATOM 72 CD2 TRP A 4 -7.377 6.274 0.110 1.00 44.41 C ATOM 73 NE1 TRP A 4 -6.545 4.735 1.509 1.00 21.04 N ATOM 74 CE2 TRP A 4 -7.563 4.977 0.625 1.00 23.41 C ATOM 75 CE3 TRP A 4 -8.293 6.766 -0.823 1.00 41.24 C ATOM 76 CZ2 TRP A 4 -8.626 4.167 0.236 1.00 55.02 C ATOM 77 CZ3 TRP A 4 -9.348 5.961 -1.209 1.00 0.30 C ATOM 78 CH2 TRP A 4 -9.508 4.674 -0.680 1.00 33.14 C ATOM 0 HA TRP A 4 -6.385 8.593 -1.464 1.00 20.32 H new ATOM 0 HB2 TRP A 4 -4.636 8.218 0.994 1.00 34.25 H new ATOM 0 HB3 TRP A 4 -6.241 8.920 0.942 1.00 34.25 H new ATOM 0 HD1 TRP A 4 -4.849 5.929 2.183 1.00 61.14 H new ATOM 0 HE1 TRP A 4 -6.413 3.874 2.040 1.00 21.04 H new ATOM 0 HE3 TRP A 4 -8.179 7.758 -1.235 1.00 41.24 H new ATOM 0 HZ2 TRP A 4 -8.751 3.174 0.642 1.00 55.02 H new ATOM 0 HZ3 TRP A 4 -10.061 6.331 -1.931 1.00 0.30 H new ATOM 0 HH2 TRP A 4 -10.344 4.070 -1.001 1.00 33.14 H new ATOM 89 N GLY A 5 -3.340 9.760 -1.008 1.00 53.42 N ATOM 90 CA GLY A 5 -2.534 10.961 -1.130 1.00 60.11 C ATOM 91 C GLY A 5 -2.727 11.656 -2.463 1.00 62.13 C ATOM 92 O GLY A 5 -2.572 12.873 -2.566 1.00 10.11 O ATOM 0 H GLY A 5 -2.813 8.907 -0.820 1.00 53.42 H new ATOM 0 HA2 GLY A 5 -2.789 11.650 -0.324 1.00 60.11 H new ATOM 0 HA3 GLY A 5 -1.482 10.703 -1.007 1.00 60.11 H new ATOM 96 N LYS A 6 -3.064 10.882 -3.489 1.00 33.30 N ATOM 97 CA LYS A 6 -3.278 11.429 -4.823 1.00 74.04 C ATOM 98 C LYS A 6 -4.502 12.339 -4.848 1.00 73.14 C ATOM 99 O LYS A 6 -4.415 13.504 -5.239 1.00 63.34 O ATOM 100 CB LYS A 6 -3.450 10.298 -5.840 1.00 20.45 C ATOM 101 CG LYS A 6 -2.191 9.997 -6.634 1.00 24.04 C ATOM 102 CD LYS A 6 -2.496 9.170 -7.871 1.00 42.13 C ATOM 103 CE LYS A 6 -2.846 10.053 -9.059 1.00 41.22 C ATOM 104 NZ LYS A 6 -1.640 10.705 -9.640 1.00 43.21 N ATOM 0 H LYS A 6 -3.195 9.873 -3.422 1.00 33.30 H new ATOM 0 HA LYS A 6 -2.402 12.020 -5.090 1.00 74.04 H new ATOM 0 HB2 LYS A 6 -3.764 9.395 -5.317 1.00 20.45 H new ATOM 0 HB3 LYS A 6 -4.251 10.561 -6.531 1.00 20.45 H new ATOM 0 HG2 LYS A 6 -1.714 10.932 -6.929 1.00 24.04 H new ATOM 0 HG3 LYS A 6 -1.481 9.462 -6.003 1.00 24.04 H new ATOM 0 HD2 LYS A 6 -1.633 8.551 -8.118 1.00 42.13 H new ATOM 0 HD3 LYS A 6 -3.325 8.493 -7.662 1.00 42.13 H new ATOM 0 HE2 LYS A 6 -3.339 9.453 -9.824 1.00 41.22 H new ATOM 0 HE3 LYS A 6 -3.557 10.818 -8.746 1.00 41.22 H new ATOM 0 HZ1 LYS A 6 -1.883 11.130 -10.558 1.00 43.21 H new ATOM 0 HZ2 LYS A 6 -1.301 11.447 -8.994 1.00 43.21 H new ATOM 0 HZ3 LYS A 6 -0.892 9.995 -9.774 1.00 43.21 H new ATOM 118 N LEU A 7 -5.642 11.801 -4.428 1.00 10.41 N ATOM 119 CA LEU A 7 -6.884 12.566 -4.401 1.00 32.15 C ATOM 120 C LEU A 7 -6.770 13.757 -3.455 1.00 3.30 C ATOM 121 O LEU A 7 -7.215 14.860 -3.773 1.00 3.43 O ATOM 122 CB LEU A 7 -8.048 11.670 -3.972 1.00 41.21 C ATOM 123 CG LEU A 7 -9.304 11.741 -4.841 1.00 33.22 C ATOM 124 CD1 LEU A 7 -10.271 10.626 -4.473 1.00 21.10 C ATOM 125 CD2 LEU A 7 -9.975 13.099 -4.699 1.00 12.31 C ATOM 0 H LEU A 7 -5.732 10.839 -4.102 1.00 10.41 H new ATOM 0 HA LEU A 7 -7.073 12.941 -5.407 1.00 32.15 H new ATOM 0 HB2 LEU A 7 -7.699 10.637 -3.956 1.00 41.21 H new ATOM 0 HB3 LEU A 7 -8.323 11.929 -2.950 1.00 41.21 H new ATOM 0 HG LEU A 7 -9.010 11.611 -5.882 1.00 33.22 H new ATOM 0 HD11 LEU A 7 -11.159 10.692 -5.102 1.00 21.10 H new ATOM 0 HD12 LEU A 7 -9.789 9.661 -4.627 1.00 21.10 H new ATOM 0 HD13 LEU A 7 -10.559 10.725 -3.426 1.00 21.10 H new ATOM 0 HD21 LEU A 7 -10.867 13.131 -5.325 1.00 12.31 H new ATOM 0 HD22 LEU A 7 -10.256 13.259 -3.658 1.00 12.31 H new ATOM 0 HD23 LEU A 7 -9.284 13.881 -5.013 1.00 12.31 H new ATOM 137 N PHE A 8 -6.168 13.528 -2.292 1.00 72.34 N ATOM 138 CA PHE A 8 -5.994 14.582 -1.301 1.00 4.44 C ATOM 139 C PHE A 8 -5.168 15.733 -1.869 1.00 62.54 C ATOM 140 O PHE A 8 -5.602 16.884 -1.865 1.00 53.31 O ATOM 141 CB PHE A 8 -5.317 14.025 -0.046 1.00 50.34 C ATOM 142 CG PHE A 8 -6.247 13.251 0.843 1.00 73.33 C ATOM 143 CD1 PHE A 8 -7.459 13.793 1.239 1.00 34.41 C ATOM 144 CD2 PHE A 8 -5.910 11.981 1.282 1.00 70.53 C ATOM 145 CE1 PHE A 8 -8.317 13.082 2.058 1.00 43.12 C ATOM 146 CE2 PHE A 8 -6.764 11.265 2.100 1.00 4.13 C ATOM 147 CZ PHE A 8 -7.969 11.816 2.488 1.00 50.41 C ATOM 0 H PHE A 8 -5.793 12.621 -2.014 1.00 72.34 H new ATOM 0 HA PHE A 8 -6.980 14.962 -1.036 1.00 4.44 H new ATOM 0 HB2 PHE A 8 -4.491 13.379 -0.345 1.00 50.34 H new ATOM 0 HB3 PHE A 8 -4.887 14.850 0.522 1.00 50.34 H new ATOM 0 HD1 PHE A 8 -7.737 14.782 0.904 1.00 34.41 H new ATOM 0 HD2 PHE A 8 -4.969 11.545 0.982 1.00 70.53 H new ATOM 0 HE1 PHE A 8 -9.258 13.516 2.361 1.00 43.12 H new ATOM 0 HE2 PHE A 8 -6.489 10.276 2.435 1.00 4.13 H new ATOM 0 HZ PHE A 8 -8.638 11.258 3.126 1.00 50.41 H new ATOM 157 N SER A 9 -3.974 15.411 -2.358 1.00 11.12 N ATOM 158 CA SER A 9 -3.085 16.417 -2.926 1.00 43.23 C ATOM 159 C SER A 9 -3.774 17.176 -4.056 1.00 71.54 C ATOM 160 O SER A 9 -3.855 18.404 -4.037 1.00 52.34 O ATOM 161 CB SER A 9 -1.803 15.761 -3.444 1.00 53.34 C ATOM 162 OG SER A 9 -0.890 16.734 -3.923 1.00 75.55 O ATOM 0 H SER A 9 -3.601 14.462 -2.372 1.00 11.12 H new ATOM 0 HA SER A 9 -2.830 17.126 -2.139 1.00 43.23 H new ATOM 0 HB2 SER A 9 -1.338 15.183 -2.645 1.00 53.34 H new ATOM 0 HB3 SER A 9 -2.046 15.061 -4.243 1.00 53.34 H new ATOM 0 HG SER A 9 -0.079 16.290 -4.247 1.00 75.55 H new ATOM 168 N THR A 10 -4.270 16.434 -5.042 1.00 35.21 N ATOM 169 CA THR A 10 -4.952 17.034 -6.182 1.00 10.24 C ATOM 170 C THR A 10 -6.076 17.957 -5.726 1.00 54.20 C ATOM 171 O THR A 10 -6.204 19.081 -6.210 1.00 51.34 O ATOM 172 CB THR A 10 -5.534 15.959 -7.119 1.00 23.14 C ATOM 173 OG1 THR A 10 -4.489 15.096 -7.582 1.00 33.33 O ATOM 174 CG2 THR A 10 -6.234 16.599 -8.308 1.00 33.23 C ATOM 0 H THR A 10 -4.212 15.416 -5.074 1.00 35.21 H new ATOM 0 HA THR A 10 -4.207 17.614 -6.726 1.00 10.24 H new ATOM 0 HB THR A 10 -6.265 15.376 -6.558 1.00 23.14 H new ATOM 0 HG1 THR A 10 -4.297 14.419 -6.900 1.00 33.33 H new ATOM 0 HG21 THR A 10 -6.637 15.820 -8.955 1.00 33.23 H new ATOM 0 HG22 THR A 10 -7.047 17.233 -7.954 1.00 33.23 H new ATOM 0 HG23 THR A 10 -5.521 17.203 -8.868 1.00 33.23 H new ATOM 182 N ALA A 11 -6.889 17.475 -4.791 1.00 52.44 N ATOM 183 CA ALA A 11 -8.002 18.259 -4.269 1.00 5.04 C ATOM 184 C ALA A 11 -7.516 19.586 -3.695 1.00 34.25 C ATOM 185 O ALA A 11 -8.045 20.648 -4.025 1.00 31.44 O ATOM 186 CB ALA A 11 -8.753 17.467 -3.209 1.00 73.32 C ATOM 0 H ALA A 11 -6.798 16.546 -4.380 1.00 52.44 H new ATOM 0 HA ALA A 11 -8.681 18.476 -5.094 1.00 5.04 H new ATOM 0 HB1 ALA A 11 -9.581 18.064 -2.828 1.00 73.32 H new ATOM 0 HB2 ALA A 11 -9.140 16.548 -3.648 1.00 73.32 H new ATOM 0 HB3 ALA A 11 -8.076 17.221 -2.391 1.00 73.32 H new ATOM 192 N LYS A 12 -6.507 19.519 -2.833 1.00 33.43 N ATOM 193 CA LYS A 12 -5.950 20.714 -2.212 1.00 44.42 C ATOM 194 C LYS A 12 -5.461 21.699 -3.270 1.00 24.40 C ATOM 195 O LYS A 12 -5.837 22.871 -3.264 1.00 33.22 O ATOM 196 CB LYS A 12 -4.797 20.339 -1.278 1.00 60.11 C ATOM 197 CG LYS A 12 -5.055 20.689 0.177 1.00 21.22 C ATOM 198 CD LYS A 12 -5.074 19.448 1.054 1.00 1.12 C ATOM 199 CE LYS A 12 -3.672 19.054 1.493 1.00 61.12 C ATOM 200 NZ LYS A 12 -2.854 18.556 0.353 1.00 64.43 N ATOM 0 H LYS A 12 -6.058 18.648 -2.549 1.00 33.43 H new ATOM 0 HA LYS A 12 -6.739 21.192 -1.631 1.00 44.42 H new ATOM 0 HB2 LYS A 12 -4.609 19.268 -1.358 1.00 60.11 H new ATOM 0 HB3 LYS A 12 -3.892 20.847 -1.610 1.00 60.11 H new ATOM 0 HG2 LYS A 12 -4.283 21.373 0.530 1.00 21.22 H new ATOM 0 HG3 LYS A 12 -6.008 21.211 0.263 1.00 21.22 H new ATOM 0 HD2 LYS A 12 -5.693 19.631 1.932 1.00 1.12 H new ATOM 0 HD3 LYS A 12 -5.531 18.622 0.508 1.00 1.12 H new ATOM 0 HE2 LYS A 12 -3.178 19.914 1.946 1.00 61.12 H new ATOM 0 HE3 LYS A 12 -3.735 18.282 2.260 1.00 61.12 H new ATOM 0 HZ1 LYS A 12 -2.012 18.066 0.718 1.00 64.43 H new ATOM 0 HZ2 LYS A 12 -3.419 17.895 -0.217 1.00 64.43 H new ATOM 0 HZ3 LYS A 12 -2.558 19.358 -0.239 1.00 64.43 H new ATOM 214 N LYS A 13 -4.620 21.215 -4.179 1.00 35.35 N ATOM 215 CA LYS A 13 -4.082 22.050 -5.245 1.00 4.30 C ATOM 216 C LYS A 13 -5.204 22.705 -6.043 1.00 55.21 C ATOM 217 O LYS A 13 -5.257 23.929 -6.171 1.00 13.25 O ATOM 218 CB LYS A 13 -3.198 21.217 -6.176 1.00 51.45 C ATOM 219 CG LYS A 13 -1.925 21.928 -6.603 1.00 72.35 C ATOM 220 CD LYS A 13 -0.694 21.082 -6.324 1.00 72.22 C ATOM 221 CE LYS A 13 0.534 21.947 -6.085 1.00 71.21 C ATOM 222 NZ LYS A 13 1.125 22.435 -7.362 1.00 4.14 N ATOM 0 H LYS A 13 -4.297 20.248 -4.198 1.00 35.35 H new ATOM 0 HA LYS A 13 -3.480 22.835 -4.788 1.00 4.30 H new ATOM 0 HB2 LYS A 13 -2.934 20.286 -5.675 1.00 51.45 H new ATOM 0 HB3 LYS A 13 -3.771 20.950 -7.064 1.00 51.45 H new ATOM 0 HG2 LYS A 13 -1.975 22.159 -7.667 1.00 72.35 H new ATOM 0 HG3 LYS A 13 -1.843 22.878 -6.074 1.00 72.35 H new ATOM 0 HD2 LYS A 13 -0.873 20.454 -5.452 1.00 72.22 H new ATOM 0 HD3 LYS A 13 -0.512 20.414 -7.166 1.00 72.22 H new ATOM 0 HE2 LYS A 13 0.263 22.799 -5.461 1.00 71.21 H new ATOM 0 HE3 LYS A 13 1.280 21.374 -5.535 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 1.960 23.021 -7.157 1.00 4.14 H new ATOM 0 HZ2 LYS A 13 1.407 21.623 -7.947 1.00 4.14 H new ATOM 0 HZ3 LYS A 13 0.421 23.003 -7.876 1.00 4.14 H new ATOM 236 N LEU A 14 -6.101 21.884 -6.577 1.00 72.45 N ATOM 237 CA LEU A 14 -7.225 22.383 -7.362 1.00 42.32 C ATOM 238 C LEU A 14 -7.983 23.465 -6.600 1.00 32.02 C ATOM 239 O LEU A 14 -8.273 24.532 -7.141 1.00 13.44 O ATOM 240 CB LEU A 14 -8.172 21.237 -7.721 1.00 21.23 C ATOM 241 CG LEU A 14 -8.181 20.807 -9.188 1.00 42.42 C ATOM 242 CD1 LEU A 14 -9.181 19.683 -9.409 1.00 41.35 C ATOM 243 CD2 LEU A 14 -8.499 21.992 -10.089 1.00 15.14 C ATOM 0 H LEU A 14 -6.072 20.869 -6.481 1.00 72.45 H new ATOM 0 HA LEU A 14 -6.830 22.819 -8.279 1.00 42.32 H new ATOM 0 HB2 LEU A 14 -7.911 20.372 -7.111 1.00 21.23 H new ATOM 0 HB3 LEU A 14 -9.185 21.529 -7.443 1.00 21.23 H new ATOM 0 HG LEU A 14 -7.188 20.437 -9.445 1.00 42.42 H new ATOM 0 HD11 LEU A 14 -9.173 19.390 -10.459 1.00 41.35 H new ATOM 0 HD12 LEU A 14 -8.909 18.827 -8.792 1.00 41.35 H new ATOM 0 HD13 LEU A 14 -10.179 20.025 -9.135 1.00 41.35 H new ATOM 0 HD21 LEU A 14 -8.501 21.668 -11.130 1.00 15.14 H new ATOM 0 HD22 LEU A 14 -9.480 22.392 -9.832 1.00 15.14 H new ATOM 0 HD23 LEU A 14 -7.744 22.766 -9.952 1.00 15.14 H new ATOM 255 N TYR A 15 -8.299 23.183 -5.341 1.00 35.30 N ATOM 256 CA TYR A 15 -9.024 24.131 -4.504 1.00 12.32 C ATOM 257 C TYR A 15 -8.301 25.474 -4.450 1.00 31.40 C ATOM 258 O TYR A 15 -8.834 26.497 -4.879 1.00 44.41 O ATOM 259 CB TYR A 15 -9.191 23.572 -3.090 1.00 10.21 C ATOM 260 CG TYR A 15 -9.762 24.570 -2.108 1.00 33.23 C ATOM 261 CD1 TYR A 15 -11.135 24.742 -1.981 1.00 31.42 C ATOM 262 CD2 TYR A 15 -8.929 25.340 -1.306 1.00 22.22 C ATOM 263 CE1 TYR A 15 -11.661 25.652 -1.085 1.00 52.54 C ATOM 264 CE2 TYR A 15 -9.446 26.252 -0.406 1.00 51.15 C ATOM 265 CZ TYR A 15 -10.813 26.405 -0.300 1.00 42.13 C ATOM 266 OH TYR A 15 -11.333 27.312 0.594 1.00 40.41 O ATOM 0 H TYR A 15 -8.064 22.305 -4.878 1.00 35.30 H new ATOM 0 HA TYR A 15 -10.009 24.286 -4.945 1.00 12.32 H new ATOM 0 HB2 TYR A 15 -9.842 22.699 -3.128 1.00 10.21 H new ATOM 0 HB3 TYR A 15 -8.222 23.231 -2.726 1.00 10.21 H new ATOM 0 HD1 TYR A 15 -11.802 24.154 -2.594 1.00 31.42 H new ATOM 0 HD2 TYR A 15 -7.858 25.224 -1.387 1.00 22.22 H new ATOM 0 HE1 TYR A 15 -12.731 25.773 -0.999 1.00 52.54 H new ATOM 0 HE2 TYR A 15 -8.784 26.842 0.211 1.00 51.15 H new ATOM 0 HH TYR A 15 -10.602 27.759 1.069 1.00 40.41 H new ATOM 276 N LYS A 16 -7.083 25.461 -3.920 1.00 22.12 N ATOM 277 CA LYS A 16 -6.283 26.675 -3.810 1.00 41.01 C ATOM 278 C LYS A 16 -6.181 27.383 -5.157 1.00 62.14 C ATOM 279 O LYS A 16 -6.351 28.599 -5.246 1.00 4.10 O ATOM 280 CB LYS A 16 -4.883 26.343 -3.289 1.00 63.44 C ATOM 281 CG LYS A 16 -4.560 26.992 -1.955 1.00 1.30 C ATOM 282 CD LYS A 16 -4.209 25.956 -0.901 1.00 22.04 C ATOM 283 CE LYS A 16 -2.767 25.491 -1.035 1.00 3.14 C ATOM 284 NZ LYS A 16 -2.089 25.397 0.288 1.00 11.11 N ATOM 0 H LYS A 16 -6.628 24.622 -3.560 1.00 22.12 H new ATOM 0 HA LYS A 16 -6.777 27.343 -3.105 1.00 41.01 H new ATOM 0 HB2 LYS A 16 -4.789 25.262 -3.190 1.00 63.44 H new ATOM 0 HB3 LYS A 16 -4.146 26.661 -4.026 1.00 63.44 H new ATOM 0 HG2 LYS A 16 -3.727 27.684 -2.078 1.00 1.30 H new ATOM 0 HG3 LYS A 16 -5.415 27.579 -1.619 1.00 1.30 H new ATOM 0 HD2 LYS A 16 -4.366 26.378 0.092 1.00 22.04 H new ATOM 0 HD3 LYS A 16 -4.878 25.101 -0.993 1.00 22.04 H new ATOM 0 HE2 LYS A 16 -2.743 24.518 -1.525 1.00 3.14 H new ATOM 0 HE3 LYS A 16 -2.220 26.183 -1.675 1.00 3.14 H new ATOM 0 HZ1 LYS A 16 -1.109 25.077 0.154 1.00 11.11 H new ATOM 0 HZ2 LYS A 16 -2.089 26.331 0.745 1.00 11.11 H new ATOM 0 HZ3 LYS A 16 -2.596 24.717 0.890 1.00 11.11 H new ATOM 298 N LYS A 17 -5.904 26.614 -6.205 1.00 41.11 N ATOM 299 CA LYS A 17 -5.782 27.166 -7.549 1.00 40.30 C ATOM 300 C LYS A 17 -7.007 28.001 -7.907 1.00 51.34 C ATOM 301 O LYS A 17 -6.891 29.180 -8.240 1.00 13.25 O ATOM 302 CB LYS A 17 -5.602 26.041 -8.571 1.00 0.15 C ATOM 303 CG LYS A 17 -4.896 26.481 -9.842 1.00 33.33 C ATOM 304 CD LYS A 17 -5.321 25.641 -11.034 1.00 73.15 C ATOM 305 CE LYS A 17 -4.146 25.343 -11.953 1.00 74.42 C ATOM 306 NZ LYS A 17 -4.418 25.764 -13.356 1.00 20.45 N ATOM 0 H LYS A 17 -5.760 25.606 -6.149 1.00 41.11 H new ATOM 0 HA LYS A 17 -4.904 27.812 -7.571 1.00 40.30 H new ATOM 0 HB2 LYS A 17 -5.034 25.232 -8.112 1.00 0.15 H new ATOM 0 HB3 LYS A 17 -6.581 25.637 -8.830 1.00 0.15 H new ATOM 0 HG2 LYS A 17 -5.117 27.530 -10.038 1.00 33.33 H new ATOM 0 HG3 LYS A 17 -3.817 26.402 -9.706 1.00 33.33 H new ATOM 0 HD2 LYS A 17 -5.757 24.705 -10.684 1.00 73.15 H new ATOM 0 HD3 LYS A 17 -6.097 26.165 -11.592 1.00 73.15 H new ATOM 0 HE2 LYS A 17 -3.258 25.857 -11.585 1.00 74.42 H new ATOM 0 HE3 LYS A 17 -3.929 24.275 -11.930 1.00 74.42 H new ATOM 0 HZ1 LYS A 17 -3.594 25.544 -13.951 1.00 20.45 H new ATOM 0 HZ2 LYS A 17 -5.250 25.255 -13.716 1.00 20.45 H new ATOM 0 HZ3 LYS A 17 -4.600 26.788 -13.382 1.00 20.45 H new ATOM 320 N GLY A 18 -8.182 27.382 -7.836 1.00 64.12 N ATOM 321 CA GLY A 18 -9.411 28.084 -8.155 1.00 10.13 C ATOM 322 C GLY A 18 -9.690 29.227 -7.199 1.00 12.01 C ATOM 323 O GLY A 18 -10.094 30.312 -7.618 1.00 4.34 O ATOM 0 H GLY A 18 -8.304 26.407 -7.563 1.00 64.12 H new ATOM 0 HA2 GLY A 18 -9.351 28.471 -9.172 1.00 10.13 H new ATOM 0 HA3 GLY A 18 -10.244 27.382 -8.130 1.00 10.13 H new ATOM 327 N LYS A 19 -9.477 28.984 -5.910 1.00 70.12 N ATOM 328 CA LYS A 19 -9.708 30.001 -4.891 1.00 34.52 C ATOM 329 C LYS A 19 -8.992 31.300 -5.246 1.00 32.32 C ATOM 330 O LYS A 19 -9.616 32.356 -5.349 1.00 4.40 O ATOM 331 CB LYS A 19 -9.233 29.500 -3.525 1.00 44.21 C ATOM 332 CG LYS A 19 -10.069 30.012 -2.365 1.00 22.21 C ATOM 333 CD LYS A 19 -9.339 31.094 -1.586 1.00 73.50 C ATOM 334 CE LYS A 19 -10.158 32.373 -1.509 1.00 42.21 C ATOM 335 NZ LYS A 19 -11.539 32.119 -1.013 1.00 42.21 N ATOM 0 H LYS A 19 -9.145 28.091 -5.546 1.00 70.12 H new ATOM 0 HA LYS A 19 -10.779 30.199 -4.846 1.00 34.52 H new ATOM 0 HB2 LYS A 19 -9.250 28.410 -3.521 1.00 44.21 H new ATOM 0 HB3 LYS A 19 -8.197 29.803 -3.377 1.00 44.21 H new ATOM 0 HG2 LYS A 19 -11.012 30.407 -2.742 1.00 22.21 H new ATOM 0 HG3 LYS A 19 -10.314 29.185 -1.699 1.00 22.21 H new ATOM 0 HD2 LYS A 19 -9.124 30.737 -0.579 1.00 73.50 H new ATOM 0 HD3 LYS A 19 -8.380 31.302 -2.061 1.00 73.50 H new ATOM 0 HE2 LYS A 19 -9.660 33.084 -0.849 1.00 42.21 H new ATOM 0 HE3 LYS A 19 -10.206 32.834 -2.496 1.00 42.21 H new ATOM 0 HZ1 LYS A 19 -11.859 32.930 -0.447 1.00 42.21 H new ATOM 0 HZ2 LYS A 19 -12.179 31.987 -1.822 1.00 42.21 H new ATOM 0 HZ3 LYS A 19 -11.544 31.262 -0.424 1.00 42.21 H new ATOM 349 N LYS A 20 -7.680 31.214 -5.433 1.00 4.30 N ATOM 350 CA LYS A 20 -6.878 32.382 -5.779 1.00 70.04 C ATOM 351 C LYS A 20 -7.393 33.036 -7.057 1.00 54.04 C ATOM 352 O LYS A 20 -7.200 34.233 -7.276 1.00 63.32 O ATOM 353 CB LYS A 20 -5.410 31.985 -5.953 1.00 12.30 C ATOM 354 CG LYS A 20 -4.628 31.965 -4.651 1.00 45.24 C ATOM 355 CD LYS A 20 -3.464 30.990 -4.716 1.00 3.44 C ATOM 356 CE LYS A 20 -2.233 31.544 -4.014 1.00 13.42 C ATOM 357 NZ LYS A 20 -1.316 32.233 -4.963 1.00 52.45 N ATOM 0 H LYS A 20 -7.149 30.347 -5.351 1.00 4.30 H new ATOM 0 HA LYS A 20 -6.960 33.102 -4.965 1.00 70.04 H new ATOM 0 HB2 LYS A 20 -5.361 30.998 -6.412 1.00 12.30 H new ATOM 0 HB3 LYS A 20 -4.933 32.681 -6.643 1.00 12.30 H new ATOM 0 HG2 LYS A 20 -4.254 32.966 -4.434 1.00 45.24 H new ATOM 0 HG3 LYS A 20 -5.291 31.688 -3.831 1.00 45.24 H new ATOM 0 HD2 LYS A 20 -3.753 30.046 -4.255 1.00 3.44 H new ATOM 0 HD3 LYS A 20 -3.225 30.776 -5.758 1.00 3.44 H new ATOM 0 HE2 LYS A 20 -2.542 32.242 -3.236 1.00 13.42 H new ATOM 0 HE3 LYS A 20 -1.700 30.731 -3.520 1.00 13.42 H new ATOM 0 HZ1 LYS A 20 -0.490 32.596 -4.446 1.00 52.45 H new ATOM 0 HZ2 LYS A 20 -1.001 31.561 -5.691 1.00 52.45 H new ATOM 0 HZ3 LYS A 20 -1.816 33.024 -5.416 1.00 52.45 H new ATOM 473 N PHE A 27 -16.369 36.084 -9.690 1.00 5.14 N ATOM 474 CA PHE A 27 -16.986 35.526 -8.492 1.00 52.32 C ATOM 475 C PHE A 27 -18.399 36.071 -8.305 1.00 32.00 C ATOM 476 O PHE A 27 -19.313 35.341 -7.920 1.00 2.04 O ATOM 477 CB PHE A 27 -16.137 35.844 -7.259 1.00 55.34 C ATOM 478 CG PHE A 27 -16.267 34.826 -6.163 1.00 72.43 C ATOM 479 CD1 PHE A 27 -15.759 33.547 -6.324 1.00 71.32 C ATOM 480 CD2 PHE A 27 -16.898 35.147 -4.972 1.00 61.11 C ATOM 481 CE1 PHE A 27 -15.876 32.607 -5.317 1.00 54.04 C ATOM 482 CE2 PHE A 27 -17.018 34.212 -3.962 1.00 21.43 C ATOM 483 CZ PHE A 27 -16.508 32.940 -4.135 1.00 23.20 C ATOM 0 HA PHE A 27 -17.045 34.444 -8.614 1.00 52.32 H new ATOM 0 HB2 PHE A 27 -15.091 35.914 -7.556 1.00 55.34 H new ATOM 0 HB3 PHE A 27 -16.425 36.822 -6.872 1.00 55.34 H new ATOM 0 HD1 PHE A 27 -15.266 33.281 -7.247 1.00 71.32 H new ATOM 0 HD2 PHE A 27 -17.301 36.139 -4.832 1.00 61.11 H new ATOM 0 HE1 PHE A 27 -15.474 31.614 -5.454 1.00 54.04 H new ATOM 0 HE2 PHE A 27 -17.510 34.476 -3.038 1.00 21.43 H new ATOM 0 HZ PHE A 27 -16.603 32.207 -3.347 1.00 23.20 H new ATOM 493 N LYS A 28 -18.571 37.359 -8.580 1.00 53.50 N ATOM 494 CA LYS A 28 -19.872 38.004 -8.443 1.00 41.45 C ATOM 495 C LYS A 28 -20.911 37.326 -9.330 1.00 53.21 C ATOM 496 O LYS A 28 -21.974 36.921 -8.860 1.00 35.22 O ATOM 497 CB LYS A 28 -19.769 39.488 -8.804 1.00 3.21 C ATOM 498 CG LYS A 28 -19.820 40.412 -7.599 1.00 61.31 C ATOM 499 CD LYS A 28 -18.444 40.602 -6.983 1.00 62.14 C ATOM 500 CE LYS A 28 -18.477 41.612 -5.847 1.00 4.31 C ATOM 501 NZ LYS A 28 -17.498 41.275 -4.777 1.00 4.14 N ATOM 0 H LYS A 28 -17.826 37.978 -8.899 1.00 53.50 H new ATOM 0 HA LYS A 28 -20.189 37.910 -7.404 1.00 41.45 H new ATOM 0 HB2 LYS A 28 -18.837 39.658 -9.343 1.00 3.21 H new ATOM 0 HB3 LYS A 28 -20.582 39.745 -9.483 1.00 3.21 H new ATOM 0 HG2 LYS A 28 -20.222 41.380 -7.898 1.00 61.31 H new ATOM 0 HG3 LYS A 28 -20.500 40.001 -6.853 1.00 61.31 H new ATOM 0 HD2 LYS A 28 -18.076 39.646 -6.611 1.00 62.14 H new ATOM 0 HD3 LYS A 28 -17.744 40.937 -7.749 1.00 62.14 H new ATOM 0 HE2 LYS A 28 -18.260 42.606 -6.238 1.00 4.31 H new ATOM 0 HE3 LYS A 28 -19.480 41.649 -5.423 1.00 4.31 H new ATOM 0 HZ1 LYS A 28 -17.551 41.987 -4.021 1.00 4.14 H new ATOM 0 HZ2 LYS A 28 -17.720 40.337 -4.386 1.00 4.14 H new ATOM 0 HZ3 LYS A 28 -16.538 41.265 -5.176 1.00 4.14 H new ATOM 515 N LYS A 29 -20.597 37.204 -10.615 1.00 51.54 N ATOM 516 CA LYS A 29 -21.502 36.573 -11.568 1.00 60.33 C ATOM 517 C LYS A 29 -21.752 35.115 -11.197 1.00 20.43 C ATOM 518 O LYS A 29 -22.898 34.681 -11.084 1.00 71.34 O ATOM 519 CB LYS A 29 -20.926 36.658 -12.984 1.00 20.15 C ATOM 520 CG LYS A 29 -21.977 36.551 -14.075 1.00 45.33 C ATOM 521 CD LYS A 29 -21.601 37.379 -15.293 1.00 14.21 C ATOM 522 CE LYS A 29 -22.128 36.754 -16.576 1.00 2.13 C ATOM 523 NZ LYS A 29 -21.036 36.144 -17.384 1.00 71.01 N ATOM 0 H LYS A 29 -19.721 37.534 -11.021 1.00 51.54 H new ATOM 0 HA LYS A 29 -22.452 37.106 -11.536 1.00 60.33 H new ATOM 0 HB2 LYS A 29 -20.394 37.603 -13.095 1.00 20.15 H new ATOM 0 HB3 LYS A 29 -20.193 35.862 -13.118 1.00 20.15 H new ATOM 0 HG2 LYS A 29 -22.096 35.507 -14.366 1.00 45.33 H new ATOM 0 HG3 LYS A 29 -22.940 36.886 -13.689 1.00 45.33 H new ATOM 0 HD2 LYS A 29 -22.002 38.387 -15.187 1.00 14.21 H new ATOM 0 HD3 LYS A 29 -20.516 37.471 -15.351 1.00 14.21 H new ATOM 0 HE2 LYS A 29 -22.868 35.992 -16.332 1.00 2.13 H new ATOM 0 HE3 LYS A 29 -22.637 37.514 -17.168 1.00 2.13 H new ATOM 0 HZ1 LYS A 29 -21.435 35.729 -18.250 1.00 71.01 H new ATOM 0 HZ2 LYS A 29 -20.342 36.876 -17.639 1.00 71.01 H new ATOM 0 HZ3 LYS A 29 -20.567 35.401 -16.828 1.00 71.01 H new ATOM 537 N ALA A 30 -20.672 34.364 -11.006 1.00 31.21 N ATOM 538 CA ALA A 30 -20.775 32.956 -10.643 1.00 70.34 C ATOM 539 C ALA A 30 -21.622 32.772 -9.389 1.00 55.30 C ATOM 540 O ALA A 30 -22.403 31.824 -9.287 1.00 44.55 O ATOM 541 CB ALA A 30 -19.390 32.361 -10.438 1.00 63.14 C ATOM 0 H ALA A 30 -19.716 34.707 -11.097 1.00 31.21 H new ATOM 0 HA ALA A 30 -21.267 32.431 -11.462 1.00 70.34 H new ATOM 0 HB1 ALA A 30 -19.482 31.309 -10.167 1.00 63.14 H new ATOM 0 HB2 ALA A 30 -18.816 32.449 -11.360 1.00 63.14 H new ATOM 0 HB3 ALA A 30 -18.878 32.898 -9.639 1.00 63.14 H new ATOM 547 N LEU A 31 -21.464 33.684 -8.436 1.00 33.45 N ATOM 548 CA LEU A 31 -22.215 33.622 -7.186 1.00 60.02 C ATOM 549 C LEU A 31 -23.706 33.825 -7.436 1.00 41.51 C ATOM 550 O LEU A 31 -24.521 32.950 -7.145 1.00 63.42 O ATOM 551 CB LEU A 31 -21.701 34.679 -6.207 1.00 54.00 C ATOM 552 CG LEU A 31 -22.386 34.717 -4.840 1.00 71.03 C ATOM 553 CD1 LEU A 31 -22.049 33.469 -4.040 1.00 20.34 C ATOM 554 CD2 LEU A 31 -21.981 35.969 -4.076 1.00 33.24 C ATOM 0 H LEU A 31 -20.823 34.475 -8.504 1.00 33.45 H new ATOM 0 HA LEU A 31 -22.070 32.633 -6.752 1.00 60.02 H new ATOM 0 HB2 LEU A 31 -20.635 34.514 -6.052 1.00 54.00 H new ATOM 0 HB3 LEU A 31 -21.808 35.659 -6.672 1.00 54.00 H new ATOM 0 HG LEU A 31 -23.465 34.743 -4.995 1.00 71.03 H new ATOM 0 HD11 LEU A 31 -22.545 33.513 -3.070 1.00 20.34 H new ATOM 0 HD12 LEU A 31 -22.390 32.587 -4.582 1.00 20.34 H new ATOM 0 HD13 LEU A 31 -20.970 33.411 -3.893 1.00 20.34 H new ATOM 0 HD21 LEU A 31 -22.478 35.980 -3.106 1.00 33.24 H new ATOM 0 HD22 LEU A 31 -20.901 35.973 -3.931 1.00 33.24 H new ATOM 0 HD23 LEU A 31 -22.274 36.852 -4.643 1.00 33.24 H new ATOM 566 N LYS A 32 -24.056 34.986 -7.979 1.00 53.43 N ATOM 567 CA LYS A 32 -25.449 35.305 -8.273 1.00 5.14 C ATOM 568 C LYS A 32 -26.099 34.196 -9.093 1.00 54.11 C ATOM 569 O LYS A 32 -27.194 33.733 -8.772 1.00 0.15 O ATOM 570 CB LYS A 32 -25.541 36.633 -9.027 1.00 11.41 C ATOM 571 CG LYS A 32 -25.802 37.828 -8.126 1.00 23.14 C ATOM 572 CD LYS A 32 -25.209 39.102 -8.703 1.00 50.22 C ATOM 573 CE LYS A 32 -24.860 40.100 -7.610 1.00 11.23 C ATOM 574 NZ LYS A 32 -24.370 41.389 -8.171 1.00 50.41 N ATOM 0 H LYS A 32 -23.394 35.722 -8.225 1.00 53.43 H new ATOM 0 HA LYS A 32 -25.983 35.394 -7.327 1.00 5.14 H new ATOM 0 HB2 LYS A 32 -24.612 36.796 -9.573 1.00 11.41 H new ATOM 0 HB3 LYS A 32 -26.338 36.566 -9.768 1.00 11.41 H new ATOM 0 HG2 LYS A 32 -26.876 37.955 -7.990 1.00 23.14 H new ATOM 0 HG3 LYS A 32 -25.376 37.641 -7.140 1.00 23.14 H new ATOM 0 HD2 LYS A 32 -24.314 38.861 -9.276 1.00 50.22 H new ATOM 0 HD3 LYS A 32 -25.919 39.553 -9.396 1.00 50.22 H new ATOM 0 HE2 LYS A 32 -25.739 40.284 -6.992 1.00 11.23 H new ATOM 0 HE3 LYS A 32 -24.096 39.674 -6.959 1.00 11.23 H new ATOM 0 HZ1 LYS A 32 -24.143 42.042 -7.394 1.00 50.41 H new ATOM 0 HZ2 LYS A 32 -23.516 41.218 -8.740 1.00 50.41 H new ATOM 0 HZ3 LYS A 32 -25.108 41.809 -8.772 1.00 50.41 H new ATOM 588 N PHE A 33 -25.419 33.773 -10.153 1.00 44.21 N ATOM 589 CA PHE A 33 -25.931 32.718 -11.019 1.00 63.33 C ATOM 590 C PHE A 33 -26.202 31.444 -10.223 1.00 44.43 C ATOM 591 O PHE A 33 -27.331 30.960 -10.172 1.00 72.32 O ATOM 592 CB PHE A 33 -24.937 32.427 -12.146 1.00 73.40 C ATOM 593 CG PHE A 33 -25.472 31.486 -13.188 1.00 44.33 C ATOM 594 CD1 PHE A 33 -26.692 31.729 -13.799 1.00 25.10 C ATOM 595 CD2 PHE A 33 -24.754 30.360 -13.558 1.00 1.23 C ATOM 596 CE1 PHE A 33 -27.186 30.865 -14.758 1.00 22.23 C ATOM 597 CE2 PHE A 33 -25.243 29.493 -14.516 1.00 60.43 C ATOM 598 CZ PHE A 33 -26.460 29.746 -15.118 1.00 11.03 C ATOM 0 H PHE A 33 -24.511 34.145 -10.433 1.00 44.21 H new ATOM 0 HA PHE A 33 -26.871 33.062 -11.452 1.00 63.33 H new ATOM 0 HB2 PHE A 33 -24.657 33.366 -12.625 1.00 73.40 H new ATOM 0 HB3 PHE A 33 -24.028 32.004 -11.718 1.00 73.40 H new ATOM 0 HD1 PHE A 33 -27.263 32.603 -13.523 1.00 25.10 H new ATOM 0 HD2 PHE A 33 -23.801 30.158 -13.092 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -28.139 31.064 -15.226 1.00 22.23 H new ATOM 0 HE2 PHE A 33 -24.674 28.618 -14.794 1.00 60.43 H new ATOM 0 HZ PHE A 33 -26.843 29.071 -15.869 1.00 11.03 H new ATOM 608 N GLY A 34 -25.155 30.907 -9.603 1.00 53.21 N ATOM 609 CA GLY A 34 -25.300 29.695 -8.819 1.00 20.05 C ATOM 610 C GLY A 34 -26.374 29.817 -7.756 1.00 1.03 C ATOM 611 O GLY A 34 -27.129 28.875 -7.514 1.00 10.11 O ATOM 0 H GLY A 34 -24.210 31.290 -9.630 1.00 53.21 H new ATOM 0 HA2 GLY A 34 -25.542 28.864 -9.482 1.00 20.05 H new ATOM 0 HA3 GLY A 34 -24.348 29.457 -8.344 1.00 20.05 H new ATOM 615 N LYS A 35 -26.443 30.980 -7.117 1.00 45.21 N ATOM 616 CA LYS A 35 -27.431 31.223 -6.073 1.00 52.34 C ATOM 617 C LYS A 35 -28.847 31.052 -6.614 1.00 70.54 C ATOM 618 O LYS A 35 -29.632 30.266 -6.084 1.00 40.01 O ATOM 619 CB LYS A 35 -27.261 32.631 -5.499 1.00 2.51 C ATOM 620 CG LYS A 35 -26.727 32.648 -4.077 1.00 60.21 C ATOM 621 CD LYS A 35 -27.683 33.354 -3.131 1.00 10.25 C ATOM 622 CE LYS A 35 -27.615 32.767 -1.729 1.00 51.11 C ATOM 623 NZ LYS A 35 -28.213 31.405 -1.669 1.00 35.22 N ATOM 0 H LYS A 35 -25.825 31.770 -7.304 1.00 45.21 H new ATOM 0 HA LYS A 35 -27.272 30.492 -5.280 1.00 52.34 H new ATOM 0 HB2 LYS A 35 -26.584 33.196 -6.139 1.00 2.51 H new ATOM 0 HB3 LYS A 35 -28.223 33.143 -5.523 1.00 2.51 H new ATOM 0 HG2 LYS A 35 -26.565 31.625 -3.736 1.00 60.21 H new ATOM 0 HG3 LYS A 35 -25.759 33.148 -4.057 1.00 60.21 H new ATOM 0 HD2 LYS A 35 -27.442 34.416 -3.094 1.00 10.25 H new ATOM 0 HD3 LYS A 35 -28.701 33.272 -3.512 1.00 10.25 H new ATOM 0 HE2 LYS A 35 -26.576 32.722 -1.404 1.00 51.11 H new ATOM 0 HE3 LYS A 35 -28.138 33.424 -1.034 1.00 51.11 H new ATOM 0 HZ1 LYS A 35 -28.443 31.170 -0.682 1.00 35.22 H new ATOM 0 HZ2 LYS A 35 -29.081 31.381 -2.242 1.00 35.22 H new ATOM 0 HZ3 LYS A 35 -27.534 30.711 -2.041 1.00 35.22 H new ATOM 637 N GLN A 36 -29.165 31.790 -7.673 1.00 21.11 N ATOM 638 CA GLN A 36 -30.486 31.718 -8.285 1.00 72.52 C ATOM 639 C GLN A 36 -30.741 30.331 -8.867 1.00 53.01 C ATOM 640 O GLN A 36 -31.886 29.888 -8.963 1.00 75.35 O ATOM 641 CB GLN A 36 -30.623 32.776 -9.381 1.00 5.33 C ATOM 642 CG GLN A 36 -31.772 33.745 -9.151 1.00 63.33 C ATOM 643 CD GLN A 36 -33.107 33.182 -9.598 1.00 2.22 C ATOM 644 OE1 GLN A 36 -33.548 33.419 -10.723 1.00 31.42 O ATOM 645 NE2 GLN A 36 -33.758 32.433 -8.716 1.00 72.44 N ATOM 0 H GLN A 36 -28.526 32.444 -8.125 1.00 21.11 H new ATOM 0 HA GLN A 36 -31.228 31.910 -7.510 1.00 72.52 H new ATOM 0 HB2 GLN A 36 -29.692 33.339 -9.449 1.00 5.33 H new ATOM 0 HB3 GLN A 36 -30.765 32.278 -10.340 1.00 5.33 H new ATOM 0 HG2 GLN A 36 -31.824 33.996 -8.092 1.00 63.33 H new ATOM 0 HG3 GLN A 36 -31.574 34.672 -9.689 1.00 63.33 H new ATOM 0 HE21 GLN A 36 -33.354 32.263 -7.795 1.00 72.44 H new ATOM 0 HE22 GLN A 36 -34.662 32.028 -8.960 1.00 72.44 H new ATOM 654 N LEU A 37 -29.668 29.651 -9.254 1.00 61.30 N ATOM 655 CA LEU A 37 -29.775 28.314 -9.827 1.00 72.52 C ATOM 656 C LEU A 37 -30.275 27.314 -8.789 1.00 1.43 C ATOM 657 O LEU A 37 -31.226 26.573 -9.034 1.00 22.32 O ATOM 658 CB LEU A 37 -28.420 27.862 -10.375 1.00 53.14 C ATOM 659 CG LEU A 37 -28.393 27.461 -11.851 1.00 0.23 C ATOM 660 CD1 LEU A 37 -29.456 26.413 -12.139 1.00 33.22 C ATOM 661 CD2 LEU A 37 -28.590 28.681 -12.739 1.00 1.24 C ATOM 0 H LEU A 37 -28.714 30.003 -9.181 1.00 61.30 H new ATOM 0 HA LEU A 37 -30.496 28.353 -10.644 1.00 72.52 H new ATOM 0 HB2 LEU A 37 -27.702 28.669 -10.225 1.00 53.14 H new ATOM 0 HB3 LEU A 37 -28.075 27.015 -9.782 1.00 53.14 H new ATOM 0 HG LEU A 37 -27.417 27.029 -12.072 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -29.422 26.140 -13.194 1.00 33.22 H new ATOM 0 HD12 LEU A 37 -29.270 25.529 -11.529 1.00 33.22 H new ATOM 0 HD13 LEU A 37 -30.440 26.818 -11.901 1.00 33.22 H new ATOM 0 HD21 LEU A 37 -28.568 28.377 -13.785 1.00 1.24 H new ATOM 0 HD22 LEU A 37 -29.552 29.142 -12.515 1.00 1.24 H new ATOM 0 HD23 LEU A 37 -27.791 29.399 -12.553 1.00 1.24 H new ATOM 673 N ALA A 38 -29.628 27.302 -7.628 1.00 15.44 N ATOM 674 CA ALA A 38 -30.010 26.398 -6.550 1.00 61.22 C ATOM 675 C ALA A 38 -31.302 26.854 -5.882 1.00 14.21 C ATOM 676 O ALA A 38 -32.091 26.036 -5.408 1.00 53.22 O ATOM 677 CB ALA A 38 -28.890 26.297 -5.525 1.00 34.42 C ATOM 0 H ALA A 38 -28.837 27.908 -7.410 1.00 15.44 H new ATOM 0 HA ALA A 38 -30.184 25.412 -6.981 1.00 61.22 H new ATOM 0 HB1 ALA A 38 -29.188 25.619 -4.726 1.00 34.42 H new ATOM 0 HB2 ALA A 38 -27.989 25.916 -6.007 1.00 34.42 H new ATOM 0 HB3 ALA A 38 -28.689 27.284 -5.108 1.00 34.42 H new ATOM 683 N LYS A 39 -31.513 28.166 -5.846 1.00 74.52 N ATOM 684 CA LYS A 39 -32.711 28.732 -5.236 1.00 64.03 C ATOM 685 C LYS A 39 -33.971 28.130 -5.850 1.00 24.12 C ATOM 686 O LYS A 39 -35.011 28.049 -5.199 1.00 13.12 O ATOM 687 CB LYS A 39 -32.724 30.253 -5.407 1.00 30.30 C ATOM 688 CG LYS A 39 -32.079 31.000 -4.253 1.00 2.03 C ATOM 689 CD LYS A 39 -33.014 32.049 -3.675 1.00 34.31 C ATOM 690 CE LYS A 39 -34.077 31.419 -2.788 1.00 13.15 C ATOM 691 NZ LYS A 39 -34.628 32.393 -1.805 1.00 53.54 N ATOM 0 H LYS A 39 -30.870 28.857 -6.232 1.00 74.52 H new ATOM 0 HA LYS A 39 -32.696 28.491 -4.173 1.00 64.03 H new ATOM 0 HB2 LYS A 39 -32.206 30.511 -6.331 1.00 30.30 H new ATOM 0 HB3 LYS A 39 -33.755 30.589 -5.515 1.00 30.30 H new ATOM 0 HG2 LYS A 39 -31.798 30.293 -3.473 1.00 2.03 H new ATOM 0 HG3 LYS A 39 -31.162 31.478 -4.596 1.00 2.03 H new ATOM 0 HD2 LYS A 39 -32.439 32.772 -3.097 1.00 34.31 H new ATOM 0 HD3 LYS A 39 -33.493 32.597 -4.486 1.00 34.31 H new ATOM 0 HE2 LYS A 39 -34.886 31.033 -3.409 1.00 13.15 H new ATOM 0 HE3 LYS A 39 -33.649 30.569 -2.256 1.00 13.15 H new ATOM 0 HZ1 LYS A 39 -35.349 31.925 -1.220 1.00 53.54 H new ATOM 0 HZ2 LYS A 39 -33.861 32.743 -1.196 1.00 53.54 H new ATOM 0 HZ3 LYS A 39 -35.059 33.192 -2.312 1.00 53.54 H new