USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=6 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 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -149:sc= -0.128 (180deg=-0.749) USER MOD Set 2.1: A 9 SER OG : rot -38:sc= 0.695 USER MOD Set 2.2: A 10 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0373) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=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 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+ -156:sc= -0.0798 (180deg=-0.413) USER MOD Single : A 36 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 1.846 6.528 -1.820 1.00 41.33 N ATOM 66 CA TRP A 4 1.419 7.769 -1.184 1.00 5.50 C ATOM 67 C TRP A 4 1.178 8.859 -2.223 1.00 23.10 C ATOM 68 O TRP A 4 0.366 9.759 -2.015 1.00 40.20 O ATOM 69 CB TRP A 4 2.469 8.235 -0.173 1.00 15.01 C ATOM 70 CG TRP A 4 2.269 7.661 1.197 1.00 14.32 C ATOM 71 CD1 TRP A 4 2.954 6.622 1.758 1.00 21.15 C ATOM 72 CD2 TRP A 4 1.319 8.094 2.177 1.00 34.22 C ATOM 73 NE1 TRP A 4 2.487 6.382 3.028 1.00 3.25 N ATOM 74 CE2 TRP A 4 1.485 7.272 3.309 1.00 14.23 C ATOM 75 CE3 TRP A 4 0.346 9.096 2.209 1.00 14.24 C ATOM 76 CZ2 TRP A 4 0.712 7.423 4.458 1.00 44.30 C ATOM 77 CZ3 TRP A 4 -0.420 9.245 3.350 1.00 32.31 C ATOM 78 CH2 TRP A 4 -0.233 8.413 4.462 1.00 60.31 C ATOM 0 HA TRP A 4 0.481 7.577 -0.662 1.00 5.50 H new ATOM 0 HB2 TRP A 4 3.459 7.958 -0.534 1.00 15.01 H new ATOM 0 HB3 TRP A 4 2.445 9.323 -0.111 1.00 15.01 H new ATOM 0 HD1 TRP A 4 3.746 6.070 1.275 1.00 21.15 H new ATOM 0 HE1 TRP A 4 2.831 5.658 3.659 1.00 3.25 H new ATOM 0 HE3 TRP A 4 0.195 9.743 1.357 1.00 14.24 H new ATOM 0 HZ2 TRP A 4 0.853 6.782 5.315 1.00 44.30 H new ATOM 0 HZ3 TRP A 4 -1.176 10.016 3.385 1.00 32.31 H new ATOM 0 HH2 TRP A 4 -0.847 8.556 5.339 1.00 60.31 H new ATOM 89 N GLY A 5 1.889 8.771 -3.343 1.00 64.21 N ATOM 90 CA GLY A 5 1.737 9.756 -4.398 1.00 23.02 C ATOM 91 C GLY A 5 0.298 9.902 -4.851 1.00 43.24 C ATOM 92 O GLY A 5 -0.094 10.947 -5.372 1.00 22.12 O ATOM 0 H GLY A 5 2.568 8.035 -3.539 1.00 64.21 H new ATOM 0 HA2 GLY A 5 2.104 10.720 -4.046 1.00 23.02 H new ATOM 0 HA3 GLY A 5 2.356 9.471 -5.249 1.00 23.02 H new ATOM 96 N LYS A 6 -0.492 8.852 -4.656 1.00 24.12 N ATOM 97 CA LYS A 6 -1.896 8.866 -5.048 1.00 42.35 C ATOM 98 C LYS A 6 -2.698 9.817 -4.165 1.00 61.15 C ATOM 99 O LYS A 6 -3.361 10.729 -4.660 1.00 54.13 O ATOM 100 CB LYS A 6 -2.485 7.456 -4.965 1.00 5.23 C ATOM 101 CG LYS A 6 -3.537 7.173 -6.022 1.00 73.12 C ATOM 102 CD LYS A 6 -3.712 5.681 -6.249 1.00 73.41 C ATOM 103 CE LYS A 6 -3.813 5.350 -7.730 1.00 50.13 C ATOM 104 NZ LYS A 6 -4.654 4.146 -7.974 1.00 34.21 N ATOM 0 H LYS A 6 -0.183 7.979 -4.228 1.00 24.12 H new ATOM 0 HA LYS A 6 -1.956 9.217 -6.078 1.00 42.35 H new ATOM 0 HB2 LYS A 6 -1.679 6.728 -5.063 1.00 5.23 H new ATOM 0 HB3 LYS A 6 -2.926 7.313 -3.978 1.00 5.23 H new ATOM 0 HG2 LYS A 6 -4.488 7.609 -5.716 1.00 73.12 H new ATOM 0 HG3 LYS A 6 -3.252 7.653 -6.958 1.00 73.12 H new ATOM 0 HD2 LYS A 6 -2.870 5.144 -5.812 1.00 73.41 H new ATOM 0 HD3 LYS A 6 -4.610 5.337 -5.736 1.00 73.41 H new ATOM 0 HE2 LYS A 6 -4.234 6.201 -8.264 1.00 50.13 H new ATOM 0 HE3 LYS A 6 -2.814 5.183 -8.134 1.00 50.13 H new ATOM 0 HZ1 LYS A 6 -4.698 3.954 -8.995 1.00 34.21 H new ATOM 0 HZ2 LYS A 6 -4.238 3.327 -7.485 1.00 34.21 H new ATOM 0 HZ3 LYS A 6 -5.614 4.314 -7.612 1.00 34.21 H new ATOM 118 N LEU A 7 -2.632 9.599 -2.857 1.00 21.22 N ATOM 119 CA LEU A 7 -3.351 10.437 -1.904 1.00 51.41 C ATOM 120 C LEU A 7 -2.844 11.875 -1.953 1.00 3.12 C ATOM 121 O LEU A 7 -3.626 12.823 -1.880 1.00 44.33 O ATOM 122 CB LEU A 7 -3.201 9.879 -0.488 1.00 4.11 C ATOM 123 CG LEU A 7 -4.492 9.736 0.318 1.00 72.32 C ATOM 124 CD1 LEU A 7 -4.297 8.764 1.471 1.00 22.20 C ATOM 125 CD2 LEU A 7 -4.953 11.091 0.833 1.00 40.53 C ATOM 0 H LEU A 7 -2.088 8.849 -2.431 1.00 21.22 H new ATOM 0 HA LEU A 7 -4.406 10.433 -2.179 1.00 51.41 H new ATOM 0 HB2 LEU A 7 -2.727 8.900 -0.553 1.00 4.11 H new ATOM 0 HB3 LEU A 7 -2.521 10.526 0.066 1.00 4.11 H new ATOM 0 HG LEU A 7 -5.265 9.338 -0.339 1.00 72.32 H new ATOM 0 HD11 LEU A 7 -5.227 8.675 2.033 1.00 22.20 H new ATOM 0 HD12 LEU A 7 -4.015 7.787 1.079 1.00 22.20 H new ATOM 0 HD13 LEU A 7 -3.509 9.132 2.128 1.00 22.20 H new ATOM 0 HD21 LEU A 7 -5.873 10.969 1.404 1.00 40.53 H new ATOM 0 HD22 LEU A 7 -4.182 11.518 1.474 1.00 40.53 H new ATOM 0 HD23 LEU A 7 -5.135 11.758 -0.010 1.00 40.53 H new ATOM 137 N PHE A 8 -1.530 12.029 -2.078 1.00 43.40 N ATOM 138 CA PHE A 8 -0.918 13.352 -2.138 1.00 25.50 C ATOM 139 C PHE A 8 -1.361 14.100 -3.392 1.00 24.22 C ATOM 140 O PHE A 8 -1.735 15.271 -3.329 1.00 62.22 O ATOM 141 CB PHE A 8 0.608 13.232 -2.114 1.00 13.21 C ATOM 142 CG PHE A 8 1.195 13.332 -0.735 1.00 42.32 C ATOM 143 CD1 PHE A 8 0.973 12.335 0.201 1.00 15.40 C ATOM 144 CD2 PHE A 8 1.970 14.423 -0.376 1.00 24.24 C ATOM 145 CE1 PHE A 8 1.511 12.426 1.471 1.00 63.54 C ATOM 146 CE2 PHE A 8 2.512 14.518 0.892 1.00 2.35 C ATOM 147 CZ PHE A 8 2.283 13.518 1.816 1.00 21.44 C ATOM 0 H PHE A 8 -0.869 11.255 -2.140 1.00 43.40 H new ATOM 0 HA PHE A 8 -1.245 13.917 -1.265 1.00 25.50 H new ATOM 0 HB2 PHE A 8 0.897 12.278 -2.555 1.00 13.21 H new ATOM 0 HB3 PHE A 8 1.036 14.015 -2.740 1.00 13.21 H new ATOM 0 HD1 PHE A 8 0.373 11.477 -0.065 1.00 15.40 H new ATOM 0 HD2 PHE A 8 2.153 15.208 -1.095 1.00 24.24 H new ATOM 0 HE1 PHE A 8 1.328 11.644 2.193 1.00 63.54 H new ATOM 0 HE2 PHE A 8 3.114 15.374 1.160 1.00 2.35 H new ATOM 0 HZ PHE A 8 2.707 13.590 2.807 1.00 21.44 H new ATOM 157 N SER A 9 -1.315 13.415 -4.530 1.00 23.51 N ATOM 158 CA SER A 9 -1.707 14.014 -5.800 1.00 1.53 C ATOM 159 C SER A 9 -3.179 14.416 -5.779 1.00 45.42 C ATOM 160 O SER A 9 -3.532 15.543 -6.129 1.00 13.13 O ATOM 161 CB SER A 9 -1.449 13.039 -6.950 1.00 1.30 C ATOM 162 OG SER A 9 -2.254 11.880 -6.826 1.00 22.32 O ATOM 0 H SER A 9 -1.010 12.444 -4.598 1.00 23.51 H new ATOM 0 HA SER A 9 -1.105 14.910 -5.952 1.00 1.53 H new ATOM 0 HB2 SER A 9 -1.657 13.530 -7.901 1.00 1.30 H new ATOM 0 HB3 SER A 9 -0.397 12.755 -6.961 1.00 1.30 H new ATOM 0 HG SER A 9 -2.316 11.624 -5.882 1.00 22.32 H new ATOM 168 N THR A 10 -4.034 13.486 -5.367 1.00 20.03 N ATOM 169 CA THR A 10 -5.467 13.741 -5.301 1.00 74.21 C ATOM 170 C THR A 10 -5.773 14.937 -4.407 1.00 43.20 C ATOM 171 O THR A 10 -6.413 15.897 -4.835 1.00 73.43 O ATOM 172 CB THR A 10 -6.233 12.512 -4.775 1.00 1.35 C ATOM 173 OG1 THR A 10 -5.803 11.334 -5.465 1.00 41.04 O ATOM 174 CG2 THR A 10 -7.733 12.692 -4.953 1.00 61.11 C ATOM 0 H THR A 10 -3.759 12.549 -5.074 1.00 20.03 H new ATOM 0 HA THR A 10 -5.796 13.958 -6.317 1.00 74.21 H new ATOM 0 HB THR A 10 -6.020 12.407 -3.711 1.00 1.35 H new ATOM 0 HG1 THR A 10 -5.120 10.874 -4.933 1.00 41.04 H new ATOM 0 HG21 THR A 10 -8.253 11.812 -4.574 1.00 61.11 H new ATOM 0 HG22 THR A 10 -8.062 13.573 -4.401 1.00 61.11 H new ATOM 0 HG23 THR A 10 -7.961 12.821 -6.011 1.00 61.11 H new ATOM 182 N ALA A 11 -5.310 14.874 -3.163 1.00 24.31 N ATOM 183 CA ALA A 11 -5.531 15.954 -2.209 1.00 71.43 C ATOM 184 C ALA A 11 -5.060 17.290 -2.774 1.00 30.43 C ATOM 185 O ALA A 11 -5.796 18.277 -2.757 1.00 63.32 O ATOM 186 CB ALA A 11 -4.822 15.653 -0.897 1.00 63.03 C ATOM 0 H ALA A 11 -4.779 14.086 -2.792 1.00 24.31 H new ATOM 0 HA ALA A 11 -6.602 16.026 -2.021 1.00 71.43 H new ATOM 0 HB1 ALA A 11 -4.996 16.468 -0.194 1.00 63.03 H new ATOM 0 HB2 ALA A 11 -5.210 14.724 -0.479 1.00 63.03 H new ATOM 0 HB3 ALA A 11 -3.752 15.551 -1.077 1.00 63.03 H new ATOM 192 N LYS A 12 -3.829 17.315 -3.272 1.00 63.33 N ATOM 193 CA LYS A 12 -3.258 18.529 -3.843 1.00 13.33 C ATOM 194 C LYS A 12 -4.150 19.081 -4.951 1.00 22.32 C ATOM 195 O LYS A 12 -4.512 20.258 -4.943 1.00 64.41 O ATOM 196 CB LYS A 12 -1.857 18.250 -4.392 1.00 54.30 C ATOM 197 CG LYS A 12 -0.999 19.496 -4.530 1.00 71.21 C ATOM 198 CD LYS A 12 -0.226 19.498 -5.838 1.00 41.02 C ATOM 199 CE LYS A 12 1.175 20.061 -5.657 1.00 2.55 C ATOM 200 NZ LYS A 12 1.149 21.460 -5.147 1.00 14.41 N ATOM 0 H LYS A 12 -3.207 16.507 -3.292 1.00 63.33 H new ATOM 0 HA LYS A 12 -3.189 19.275 -3.051 1.00 13.33 H new ATOM 0 HB2 LYS A 12 -1.352 17.542 -3.734 1.00 54.30 H new ATOM 0 HB3 LYS A 12 -1.947 17.771 -5.367 1.00 54.30 H new ATOM 0 HG2 LYS A 12 -1.632 20.382 -4.479 1.00 71.21 H new ATOM 0 HG3 LYS A 12 -0.302 19.553 -3.694 1.00 71.21 H new ATOM 0 HD2 LYS A 12 -0.163 18.481 -6.226 1.00 41.02 H new ATOM 0 HD3 LYS A 12 -0.764 20.090 -6.579 1.00 41.02 H new ATOM 0 HE2 LYS A 12 1.732 19.432 -4.963 1.00 2.55 H new ATOM 0 HE3 LYS A 12 1.704 20.031 -6.609 1.00 2.55 H new ATOM 0 HZ1 LYS A 12 2.108 21.860 -5.181 1.00 14.41 H new ATOM 0 HZ2 LYS A 12 0.514 22.033 -5.738 1.00 14.41 H new ATOM 0 HZ3 LYS A 12 0.807 21.465 -4.165 1.00 14.41 H new ATOM 214 N LYS A 13 -4.502 18.223 -5.902 1.00 71.14 N ATOM 215 CA LYS A 13 -5.354 18.623 -7.016 1.00 61.43 C ATOM 216 C LYS A 13 -6.635 19.281 -6.513 1.00 64.21 C ATOM 217 O LYS A 13 -6.940 20.420 -6.869 1.00 35.23 O ATOM 218 CB LYS A 13 -5.698 17.409 -7.883 1.00 10.11 C ATOM 219 CG LYS A 13 -6.029 17.764 -9.322 1.00 73.22 C ATOM 220 CD LYS A 13 -4.791 17.740 -10.202 1.00 24.32 C ATOM 221 CE LYS A 13 -4.371 19.143 -10.612 1.00 23.11 C ATOM 222 NZ LYS A 13 -4.774 19.456 -12.011 1.00 13.13 N ATOM 0 H LYS A 13 -4.211 17.246 -5.924 1.00 71.14 H new ATOM 0 HA LYS A 13 -4.806 19.348 -7.617 1.00 61.43 H new ATOM 0 HB2 LYS A 13 -4.857 16.716 -7.873 1.00 10.11 H new ATOM 0 HB3 LYS A 13 -6.547 16.887 -7.442 1.00 10.11 H new ATOM 0 HG2 LYS A 13 -6.766 17.061 -9.711 1.00 73.22 H new ATOM 0 HG3 LYS A 13 -6.483 18.754 -9.358 1.00 73.22 H new ATOM 0 HD2 LYS A 13 -3.973 17.256 -9.668 1.00 24.32 H new ATOM 0 HD3 LYS A 13 -4.988 17.143 -11.093 1.00 24.32 H new ATOM 0 HE2 LYS A 13 -4.819 19.869 -9.934 1.00 23.11 H new ATOM 0 HE3 LYS A 13 -3.290 19.241 -10.515 1.00 23.11 H new ATOM 0 HZ1 LYS A 13 -4.470 20.421 -12.252 1.00 13.13 H new ATOM 0 HZ2 LYS A 13 -4.326 18.779 -12.661 1.00 13.13 H new ATOM 0 HZ3 LYS A 13 -5.808 19.387 -12.098 1.00 13.13 H new ATOM 236 N LEU A 14 -7.379 18.558 -5.683 1.00 41.33 N ATOM 237 CA LEU A 14 -8.627 19.073 -5.129 1.00 65.05 C ATOM 238 C LEU A 14 -8.415 20.442 -4.490 1.00 61.34 C ATOM 239 O LEU A 14 -9.160 21.385 -4.758 1.00 23.10 O ATOM 240 CB LEU A 14 -9.190 18.096 -4.096 1.00 2.34 C ATOM 241 CG LEU A 14 -10.448 17.332 -4.510 1.00 1.33 C ATOM 242 CD1 LEU A 14 -10.914 16.421 -3.384 1.00 41.55 C ATOM 243 CD2 LEU A 14 -11.553 18.300 -4.907 1.00 40.12 C ATOM 0 H LEU A 14 -7.140 17.614 -5.379 1.00 41.33 H new ATOM 0 HA LEU A 14 -9.342 19.181 -5.945 1.00 65.05 H new ATOM 0 HB2 LEU A 14 -8.414 17.371 -3.850 1.00 2.34 H new ATOM 0 HB3 LEU A 14 -9.410 18.650 -3.183 1.00 2.34 H new ATOM 0 HG LEU A 14 -10.206 16.713 -5.374 1.00 1.33 H new ATOM 0 HD11 LEU A 14 -11.810 15.885 -3.697 1.00 41.55 H new ATOM 0 HD12 LEU A 14 -10.128 15.705 -3.146 1.00 41.55 H new ATOM 0 HD13 LEU A 14 -11.138 17.019 -2.501 1.00 41.55 H new ATOM 0 HD21 LEU A 14 -12.441 17.739 -5.199 1.00 40.12 H new ATOM 0 HD22 LEU A 14 -11.793 18.945 -4.062 1.00 40.12 H new ATOM 0 HD23 LEU A 14 -11.218 18.911 -5.745 1.00 40.12 H new ATOM 255 N TYR A 15 -7.394 20.543 -3.647 1.00 0.32 N ATOM 256 CA TYR A 15 -7.084 21.797 -2.969 1.00 71.33 C ATOM 257 C TYR A 15 -6.939 22.937 -3.973 1.00 20.24 C ATOM 258 O TYR A 15 -7.709 23.898 -3.955 1.00 62.51 O ATOM 259 CB TYR A 15 -5.799 21.655 -2.152 1.00 62.13 C ATOM 260 CG TYR A 15 -5.306 22.959 -1.567 1.00 51.23 C ATOM 261 CD1 TYR A 15 -5.886 23.493 -0.423 1.00 33.10 C ATOM 262 CD2 TYR A 15 -4.262 23.658 -2.159 1.00 45.40 C ATOM 263 CE1 TYR A 15 -5.440 24.685 0.115 1.00 71.32 C ATOM 264 CE2 TYR A 15 -3.808 24.850 -1.627 1.00 61.14 C ATOM 265 CZ TYR A 15 -4.400 25.359 -0.491 1.00 14.13 C ATOM 266 OH TYR A 15 -3.952 26.546 0.041 1.00 13.52 O ATOM 0 H TYR A 15 -6.767 19.772 -3.416 1.00 0.32 H new ATOM 0 HA TYR A 15 -7.909 22.032 -2.297 1.00 71.33 H new ATOM 0 HB2 TYR A 15 -5.970 20.945 -1.343 1.00 62.13 H new ATOM 0 HB3 TYR A 15 -5.020 21.234 -2.787 1.00 62.13 H new ATOM 0 HD1 TYR A 15 -6.700 22.967 0.054 1.00 33.10 H new ATOM 0 HD2 TYR A 15 -3.797 23.263 -3.050 1.00 45.40 H new ATOM 0 HE1 TYR A 15 -5.903 25.087 1.004 1.00 71.32 H new ATOM 0 HE2 TYR A 15 -2.994 25.380 -2.099 1.00 61.14 H new ATOM 0 HH TYR A 15 -3.214 26.891 -0.504 1.00 13.52 H new ATOM 276 N LYS A 16 -5.946 22.823 -4.848 1.00 61.10 N ATOM 277 CA LYS A 16 -5.698 23.841 -5.862 1.00 13.33 C ATOM 278 C LYS A 16 -6.969 24.145 -6.649 1.00 43.42 C ATOM 279 O LYS A 16 -7.312 25.307 -6.870 1.00 30.02 O ATOM 280 CB LYS A 16 -4.592 23.383 -6.815 1.00 11.22 C ATOM 281 CG LYS A 16 -3.367 24.280 -6.800 1.00 44.43 C ATOM 282 CD LYS A 16 -2.098 23.487 -6.534 1.00 11.54 C ATOM 283 CE LYS A 16 -0.904 24.084 -7.263 1.00 52.01 C ATOM 284 NZ LYS A 16 -0.120 24.999 -6.388 1.00 21.21 N ATOM 0 H LYS A 16 -5.299 22.035 -4.875 1.00 61.10 H new ATOM 0 HA LYS A 16 -5.378 24.752 -5.356 1.00 13.33 H new ATOM 0 HB2 LYS A 16 -4.293 22.369 -6.550 1.00 11.22 H new ATOM 0 HB3 LYS A 16 -4.991 23.343 -7.829 1.00 11.22 H new ATOM 0 HG2 LYS A 16 -3.281 24.796 -7.756 1.00 44.43 H new ATOM 0 HG3 LYS A 16 -3.485 25.046 -6.034 1.00 44.43 H new ATOM 0 HD2 LYS A 16 -1.898 23.467 -5.463 1.00 11.54 H new ATOM 0 HD3 LYS A 16 -2.240 22.454 -6.851 1.00 11.54 H new ATOM 0 HE2 LYS A 16 -0.258 23.282 -7.620 1.00 52.01 H new ATOM 0 HE3 LYS A 16 -1.250 24.629 -8.141 1.00 52.01 H new ATOM 0 HZ1 LYS A 16 0.685 25.385 -6.922 1.00 21.21 H new ATOM 0 HZ2 LYS A 16 -0.729 25.779 -6.067 1.00 21.21 H new ATOM 0 HZ3 LYS A 16 0.232 24.473 -5.563 1.00 21.21 H new ATOM 298 N LYS A 17 -7.664 23.094 -7.070 1.00 53.40 N ATOM 299 CA LYS A 17 -8.899 23.248 -7.831 1.00 23.13 C ATOM 300 C LYS A 17 -9.866 24.184 -7.114 1.00 54.21 C ATOM 301 O LYS A 17 -10.302 25.190 -7.674 1.00 24.33 O ATOM 302 CB LYS A 17 -9.559 21.885 -8.050 1.00 54.25 C ATOM 303 CG LYS A 17 -10.671 21.908 -9.086 1.00 23.13 C ATOM 304 CD LYS A 17 -10.174 21.452 -10.447 1.00 43.23 C ATOM 305 CE LYS A 17 -11.225 21.668 -11.525 1.00 70.31 C ATOM 306 NZ LYS A 17 -10.729 22.554 -12.614 1.00 54.40 N ATOM 0 H LYS A 17 -7.393 22.126 -6.897 1.00 53.40 H new ATOM 0 HA LYS A 17 -8.650 23.684 -8.798 1.00 23.13 H new ATOM 0 HB2 LYS A 17 -8.799 21.168 -8.361 1.00 54.25 H new ATOM 0 HB3 LYS A 17 -9.964 21.530 -7.102 1.00 54.25 H new ATOM 0 HG2 LYS A 17 -11.486 21.262 -8.760 1.00 23.13 H new ATOM 0 HG3 LYS A 17 -11.076 22.917 -9.165 1.00 23.13 H new ATOM 0 HD2 LYS A 17 -9.267 21.999 -10.706 1.00 43.23 H new ATOM 0 HD3 LYS A 17 -9.908 20.396 -10.403 1.00 43.23 H new ATOM 0 HE2 LYS A 17 -11.518 20.706 -11.945 1.00 70.31 H new ATOM 0 HE3 LYS A 17 -12.118 22.106 -11.079 1.00 70.31 H new ATOM 0 HZ1 LYS A 17 -11.475 22.676 -13.329 1.00 54.40 H new ATOM 0 HZ2 LYS A 17 -10.474 23.481 -12.218 1.00 54.40 H new ATOM 0 HZ3 LYS A 17 -9.892 22.124 -13.057 1.00 54.40 H new ATOM 320 N GLY A 18 -10.198 23.847 -5.871 1.00 53.33 N ATOM 321 CA GLY A 18 -11.111 24.669 -5.099 1.00 11.24 C ATOM 322 C GLY A 18 -10.635 26.102 -4.971 1.00 44.53 C ATOM 323 O GLY A 18 -11.403 27.041 -5.182 1.00 43.41 O ATOM 0 H GLY A 18 -9.851 23.020 -5.386 1.00 53.33 H new ATOM 0 HA2 GLY A 18 -12.093 24.657 -5.571 1.00 11.24 H new ATOM 0 HA3 GLY A 18 -11.230 24.239 -4.105 1.00 11.24 H new ATOM 327 N LYS A 19 -9.364 26.273 -4.624 1.00 4.11 N ATOM 328 CA LYS A 19 -8.784 27.602 -4.468 1.00 32.02 C ATOM 329 C LYS A 19 -9.049 28.459 -5.701 1.00 51.24 C ATOM 330 O LYS A 19 -9.631 29.540 -5.606 1.00 72.10 O ATOM 331 CB LYS A 19 -7.278 27.498 -4.220 1.00 3.23 C ATOM 332 CG LYS A 19 -6.727 28.613 -3.347 1.00 63.23 C ATOM 333 CD LYS A 19 -5.778 29.511 -4.123 1.00 54.34 C ATOM 334 CE LYS A 19 -4.325 29.167 -3.837 1.00 2.32 C ATOM 335 NZ LYS A 19 -3.987 29.341 -2.397 1.00 11.40 N ATOM 0 H LYS A 19 -8.715 25.507 -4.445 1.00 4.11 H new ATOM 0 HA LYS A 19 -9.255 28.078 -3.608 1.00 32.02 H new ATOM 0 HB2 LYS A 19 -7.061 26.539 -3.750 1.00 3.23 H new ATOM 0 HB3 LYS A 19 -6.759 27.508 -5.178 1.00 3.23 H new ATOM 0 HG2 LYS A 19 -7.551 29.208 -2.952 1.00 63.23 H new ATOM 0 HG3 LYS A 19 -6.205 28.183 -2.492 1.00 63.23 H new ATOM 0 HD2 LYS A 19 -5.973 29.411 -5.191 1.00 54.34 H new ATOM 0 HD3 LYS A 19 -5.965 30.552 -3.861 1.00 54.34 H new ATOM 0 HE2 LYS A 19 -4.131 28.136 -4.134 1.00 2.32 H new ATOM 0 HE3 LYS A 19 -3.676 29.801 -4.442 1.00 2.32 H new ATOM 0 HZ1 LYS A 19 -2.988 29.617 -2.306 1.00 11.40 H new ATOM 0 HZ2 LYS A 19 -4.590 30.082 -1.986 1.00 11.40 H new ATOM 0 HZ3 LYS A 19 -4.146 28.446 -1.892 1.00 11.40 H new ATOM 349 N LYS A 20 -8.619 27.970 -6.860 1.00 33.04 N ATOM 350 CA LYS A 20 -8.812 28.689 -8.113 1.00 51.22 C ATOM 351 C LYS A 20 -10.286 29.014 -8.333 1.00 72.33 C ATOM 352 O LYS A 20 -10.632 30.112 -8.772 1.00 30.45 O ATOM 353 CB LYS A 20 -8.280 27.863 -9.286 1.00 72.32 C ATOM 354 CG LYS A 20 -6.813 27.494 -9.154 1.00 63.43 C ATOM 355 CD LYS A 20 -5.930 28.410 -9.985 1.00 14.30 C ATOM 356 CE LYS A 20 -4.491 28.392 -9.495 1.00 45.12 C ATOM 357 NZ LYS A 20 -4.110 29.676 -8.845 1.00 4.42 N ATOM 0 H LYS A 20 -8.134 27.078 -6.957 1.00 33.04 H new ATOM 0 HA LYS A 20 -8.257 29.625 -8.055 1.00 51.22 H new ATOM 0 HB2 LYS A 20 -8.869 26.950 -9.373 1.00 72.32 H new ATOM 0 HB3 LYS A 20 -8.423 28.424 -10.209 1.00 72.32 H new ATOM 0 HG2 LYS A 20 -6.515 27.552 -8.107 1.00 63.43 H new ATOM 0 HG3 LYS A 20 -6.667 26.461 -9.470 1.00 63.43 H new ATOM 0 HD2 LYS A 20 -5.964 28.100 -11.029 1.00 14.30 H new ATOM 0 HD3 LYS A 20 -6.317 29.428 -9.942 1.00 14.30 H new ATOM 0 HE2 LYS A 20 -4.359 27.574 -8.787 1.00 45.12 H new ATOM 0 HE3 LYS A 20 -3.824 28.198 -10.335 1.00 45.12 H new ATOM 0 HZ1 LYS A 20 -3.122 29.623 -8.525 1.00 4.42 H new ATOM 0 HZ2 LYS A 20 -4.212 30.454 -9.527 1.00 4.42 H new ATOM 0 HZ3 LYS A 20 -4.730 29.849 -8.028 1.00 4.42 H new ATOM 473 N PHE A 27 -18.502 35.565 -9.490 1.00 54.11 N ATOM 474 CA PHE A 27 -19.439 34.468 -9.273 1.00 41.54 C ATOM 475 C PHE A 27 -20.551 34.885 -8.316 1.00 34.45 C ATOM 476 O PHE A 27 -21.688 34.424 -8.427 1.00 63.13 O ATOM 477 CB PHE A 27 -18.705 33.245 -8.720 1.00 52.01 C ATOM 478 CG PHE A 27 -19.289 32.726 -7.437 1.00 64.32 C ATOM 479 CD1 PHE A 27 -20.363 31.851 -7.453 1.00 55.54 C ATOM 480 CD2 PHE A 27 -18.762 33.111 -6.215 1.00 42.21 C ATOM 481 CE1 PHE A 27 -20.903 31.373 -6.274 1.00 64.12 C ATOM 482 CE2 PHE A 27 -19.296 32.635 -5.033 1.00 15.55 C ATOM 483 CZ PHE A 27 -20.368 31.764 -5.062 1.00 43.34 C ATOM 0 HA PHE A 27 -19.888 34.210 -10.232 1.00 41.54 H new ATOM 0 HB2 PHE A 27 -18.725 32.451 -9.466 1.00 52.01 H new ATOM 0 HB3 PHE A 27 -17.659 33.502 -8.556 1.00 52.01 H new ATOM 0 HD1 PHE A 27 -20.783 31.539 -8.398 1.00 55.54 H new ATOM 0 HD2 PHE A 27 -17.924 33.791 -6.186 1.00 42.21 H new ATOM 0 HE1 PHE A 27 -21.743 30.694 -6.300 1.00 64.12 H new ATOM 0 HE2 PHE A 27 -18.876 32.944 -4.087 1.00 15.55 H new ATOM 0 HZ PHE A 27 -20.787 31.390 -4.139 1.00 43.34 H new ATOM 493 N LYS A 28 -20.216 35.759 -7.373 1.00 20.11 N ATOM 494 CA LYS A 28 -21.185 36.239 -6.395 1.00 4.33 C ATOM 495 C LYS A 28 -22.306 37.017 -7.076 1.00 10.00 C ATOM 496 O LYS A 28 -23.479 36.656 -6.971 1.00 44.41 O ATOM 497 CB LYS A 28 -20.494 37.125 -5.355 1.00 60.11 C ATOM 498 CG LYS A 28 -20.122 36.389 -4.080 1.00 24.42 C ATOM 499 CD LYS A 28 -18.641 36.528 -3.767 1.00 53.42 C ATOM 500 CE LYS A 28 -18.354 36.259 -2.298 1.00 11.41 C ATOM 501 NZ LYS A 28 -17.331 35.193 -2.119 1.00 63.51 N ATOM 0 H LYS A 28 -19.280 36.150 -7.265 1.00 20.11 H new ATOM 0 HA LYS A 28 -21.619 35.373 -5.896 1.00 4.33 H new ATOM 0 HB2 LYS A 28 -19.592 37.551 -5.795 1.00 60.11 H new ATOM 0 HB3 LYS A 28 -21.151 37.958 -5.105 1.00 60.11 H new ATOM 0 HG2 LYS A 28 -20.709 36.780 -3.249 1.00 24.42 H new ATOM 0 HG3 LYS A 28 -20.376 35.334 -4.181 1.00 24.42 H new ATOM 0 HD2 LYS A 28 -18.071 35.833 -4.383 1.00 53.42 H new ATOM 0 HD3 LYS A 28 -18.306 37.532 -4.026 1.00 53.42 H new ATOM 0 HE2 LYS A 28 -18.009 37.177 -1.821 1.00 11.41 H new ATOM 0 HE3 LYS A 28 -19.276 35.966 -1.796 1.00 11.41 H new ATOM 0 HZ1 LYS A 28 -17.164 35.039 -1.104 1.00 63.51 H new ATOM 0 HZ2 LYS A 28 -17.670 34.310 -2.551 1.00 63.51 H new ATOM 0 HZ3 LYS A 28 -16.443 35.484 -2.576 1.00 63.51 H new ATOM 515 N LYS A 29 -21.939 38.085 -7.776 1.00 3.24 N ATOM 516 CA LYS A 29 -22.913 38.913 -8.477 1.00 63.01 C ATOM 517 C LYS A 29 -23.616 38.116 -9.572 1.00 1.45 C ATOM 518 O LYS A 29 -24.826 38.237 -9.760 1.00 31.03 O ATOM 519 CB LYS A 29 -22.227 40.139 -9.084 1.00 54.24 C ATOM 520 CG LYS A 29 -21.465 40.974 -8.070 1.00 41.34 C ATOM 521 CD LYS A 29 -22.393 41.893 -7.294 1.00 32.25 C ATOM 522 CE LYS A 29 -21.729 43.227 -6.987 1.00 75.34 C ATOM 523 NZ LYS A 29 -21.909 43.621 -5.563 1.00 2.42 N ATOM 0 H LYS A 29 -20.973 38.398 -7.873 1.00 3.24 H new ATOM 0 HA LYS A 29 -23.660 39.243 -7.755 1.00 63.01 H new ATOM 0 HB2 LYS A 29 -21.539 39.811 -9.863 1.00 54.24 H new ATOM 0 HB3 LYS A 29 -22.979 40.764 -9.566 1.00 54.24 H new ATOM 0 HG2 LYS A 29 -20.940 40.317 -7.377 1.00 41.34 H new ATOM 0 HG3 LYS A 29 -20.708 41.568 -8.582 1.00 41.34 H new ATOM 0 HD2 LYS A 29 -23.303 42.062 -7.869 1.00 32.25 H new ATOM 0 HD3 LYS A 29 -22.690 41.410 -6.363 1.00 32.25 H new ATOM 0 HE2 LYS A 29 -20.665 43.164 -7.215 1.00 75.34 H new ATOM 0 HE3 LYS A 29 -22.148 43.998 -7.633 1.00 75.34 H new ATOM 0 HZ1 LYS A 29 -21.442 44.535 -5.394 1.00 2.42 H new ATOM 0 HZ2 LYS A 29 -22.924 43.706 -5.352 1.00 2.42 H new ATOM 0 HZ3 LYS A 29 -21.487 42.898 -4.947 1.00 2.42 H new ATOM 537 N ALA A 30 -22.850 37.302 -10.289 1.00 63.25 N ATOM 538 CA ALA A 30 -23.400 36.483 -11.362 1.00 53.13 C ATOM 539 C ALA A 30 -24.515 35.580 -10.846 1.00 72.44 C ATOM 540 O ALA A 30 -25.580 35.480 -11.457 1.00 15.31 O ATOM 541 CB ALA A 30 -22.302 35.652 -12.009 1.00 41.42 C ATOM 0 H ALA A 30 -21.846 37.192 -10.147 1.00 63.25 H new ATOM 0 HA ALA A 30 -23.825 37.149 -12.113 1.00 53.13 H new ATOM 0 HB1 ALA A 30 -22.728 35.046 -12.808 1.00 41.42 H new ATOM 0 HB2 ALA A 30 -21.540 36.314 -12.422 1.00 41.42 H new ATOM 0 HB3 ALA A 30 -21.850 35.001 -11.261 1.00 41.42 H new ATOM 547 N LEU A 31 -24.264 34.922 -9.720 1.00 64.10 N ATOM 548 CA LEU A 31 -25.247 34.025 -9.122 1.00 4.12 C ATOM 549 C LEU A 31 -26.456 34.804 -8.615 1.00 32.55 C ATOM 550 O LEU A 31 -27.584 34.576 -9.054 1.00 4.20 O ATOM 551 CB LEU A 31 -24.615 33.237 -7.973 1.00 44.02 C ATOM 552 CG LEU A 31 -25.535 32.256 -7.246 1.00 63.54 C ATOM 553 CD1 LEU A 31 -25.876 31.078 -8.146 1.00 60.20 C ATOM 554 CD2 LEU A 31 -24.888 31.774 -5.956 1.00 62.41 C ATOM 0 H LEU A 31 -23.388 34.993 -9.202 1.00 64.10 H new ATOM 0 HA LEU A 31 -25.582 33.328 -9.890 1.00 4.12 H new ATOM 0 HB2 LEU A 31 -23.763 32.682 -8.365 1.00 44.02 H new ATOM 0 HB3 LEU A 31 -24.225 33.947 -7.244 1.00 44.02 H new ATOM 0 HG LEU A 31 -26.460 32.774 -6.993 1.00 63.54 H new ATOM 0 HD11 LEU A 31 -26.532 30.390 -7.612 1.00 60.20 H new ATOM 0 HD12 LEU A 31 -26.381 31.439 -9.042 1.00 60.20 H new ATOM 0 HD13 LEU A 31 -24.960 30.560 -8.430 1.00 60.20 H new ATOM 0 HD21 LEU A 31 -25.557 31.077 -5.452 1.00 62.41 H new ATOM 0 HD22 LEU A 31 -23.948 31.273 -6.186 1.00 62.41 H new ATOM 0 HD23 LEU A 31 -24.695 32.627 -5.305 1.00 62.41 H new ATOM 566 N LYS A 32 -26.214 35.725 -7.688 1.00 33.30 N ATOM 567 CA LYS A 32 -27.282 36.540 -7.122 1.00 53.53 C ATOM 568 C LYS A 32 -28.122 37.178 -8.225 1.00 20.03 C ATOM 569 O LYS A 32 -29.334 36.970 -8.294 1.00 44.54 O ATOM 570 CB LYS A 32 -26.697 37.628 -6.219 1.00 11.22 C ATOM 571 CG LYS A 32 -26.557 37.203 -4.767 1.00 71.04 C ATOM 572 CD LYS A 32 -27.445 38.032 -3.855 1.00 54.32 C ATOM 573 CE LYS A 32 -27.589 37.391 -2.483 1.00 44.33 C ATOM 574 NZ LYS A 32 -26.308 37.415 -1.723 1.00 51.55 N ATOM 0 H LYS A 32 -25.287 35.925 -7.313 1.00 33.30 H new ATOM 0 HA LYS A 32 -27.925 35.890 -6.528 1.00 53.53 H new ATOM 0 HB2 LYS A 32 -25.718 37.917 -6.600 1.00 11.22 H new ATOM 0 HB3 LYS A 32 -27.333 38.512 -6.270 1.00 11.22 H new ATOM 0 HG2 LYS A 32 -26.817 36.149 -4.669 1.00 71.04 H new ATOM 0 HG3 LYS A 32 -25.517 37.306 -4.456 1.00 71.04 H new ATOM 0 HD2 LYS A 32 -27.025 39.032 -3.748 1.00 54.32 H new ATOM 0 HD3 LYS A 32 -28.429 38.146 -4.309 1.00 54.32 H new ATOM 0 HE2 LYS A 32 -28.358 37.916 -1.916 1.00 44.33 H new ATOM 0 HE3 LYS A 32 -27.925 36.360 -2.597 1.00 44.33 H new ATOM 0 HZ1 LYS A 32 -26.447 36.969 -0.794 1.00 51.55 H new ATOM 0 HZ2 LYS A 32 -25.581 36.893 -2.252 1.00 51.55 H new ATOM 0 HZ3 LYS A 32 -26.001 38.400 -1.592 1.00 51.55 H new ATOM 588 N PHE A 33 -27.470 37.953 -9.085 1.00 55.41 N ATOM 589 CA PHE A 33 -28.157 38.621 -10.185 1.00 35.43 C ATOM 590 C PHE A 33 -28.938 37.616 -11.028 1.00 2.41 C ATOM 591 O PHE A 33 -30.145 37.755 -11.219 1.00 51.22 O ATOM 592 CB PHE A 33 -27.152 39.369 -11.063 1.00 35.02 C ATOM 593 CG PHE A 33 -27.795 40.314 -12.037 1.00 51.14 C ATOM 594 CD1 PHE A 33 -28.713 41.257 -11.605 1.00 53.42 C ATOM 595 CD2 PHE A 33 -27.481 40.259 -13.386 1.00 33.12 C ATOM 596 CE1 PHE A 33 -29.306 42.129 -12.499 1.00 72.02 C ATOM 597 CE2 PHE A 33 -28.071 41.128 -14.284 1.00 64.04 C ATOM 598 CZ PHE A 33 -28.985 42.063 -13.841 1.00 11.32 C ATOM 0 H PHE A 33 -26.467 38.134 -9.042 1.00 55.41 H new ATOM 0 HA PHE A 33 -28.861 39.337 -9.760 1.00 35.43 H new ATOM 0 HB2 PHE A 33 -26.468 39.928 -10.424 1.00 35.02 H new ATOM 0 HB3 PHE A 33 -26.553 38.644 -11.614 1.00 35.02 H new ATOM 0 HD1 PHE A 33 -28.969 41.312 -10.557 1.00 53.42 H new ATOM 0 HD2 PHE A 33 -26.768 39.529 -13.739 1.00 33.12 H new ATOM 0 HE1 PHE A 33 -30.019 42.861 -12.149 1.00 72.02 H new ATOM 0 HE2 PHE A 33 -27.817 41.076 -15.332 1.00 64.04 H new ATOM 0 HZ PHE A 33 -29.448 42.741 -14.542 1.00 11.32 H new ATOM 608 N GLY A 34 -28.237 36.604 -11.531 1.00 35.14 N ATOM 609 CA GLY A 34 -28.880 35.591 -12.348 1.00 3.30 C ATOM 610 C GLY A 34 -30.102 34.995 -11.678 1.00 64.31 C ATOM 611 O GLY A 34 -31.137 34.801 -12.316 1.00 63.11 O ATOM 0 H GLY A 34 -27.236 36.468 -11.387 1.00 35.14 H new ATOM 0 HA2 GLY A 34 -29.171 36.029 -13.303 1.00 3.30 H new ATOM 0 HA3 GLY A 34 -28.166 34.797 -12.566 1.00 3.30 H new ATOM 615 N LYS A 35 -29.983 34.701 -10.388 1.00 23.41 N ATOM 616 CA LYS A 35 -31.085 34.122 -9.630 1.00 35.33 C ATOM 617 C LYS A 35 -32.293 35.054 -9.627 1.00 43.15 C ATOM 618 O LYS A 35 -33.366 34.695 -10.112 1.00 4.05 O ATOM 619 CB LYS A 35 -30.647 33.834 -8.192 1.00 34.11 C ATOM 620 CG LYS A 35 -31.333 32.626 -7.577 1.00 53.13 C ATOM 621 CD LYS A 35 -30.324 31.622 -7.046 1.00 11.22 C ATOM 622 CE LYS A 35 -30.763 31.045 -5.709 1.00 11.23 C ATOM 623 NZ LYS A 35 -30.789 32.081 -4.639 1.00 50.13 N ATOM 0 H LYS A 35 -29.133 34.855 -9.845 1.00 23.41 H new ATOM 0 HA LYS A 35 -31.371 33.186 -10.111 1.00 35.33 H new ATOM 0 HB2 LYS A 35 -29.569 33.677 -8.174 1.00 34.11 H new ATOM 0 HB3 LYS A 35 -30.852 34.710 -7.576 1.00 34.11 H new ATOM 0 HG2 LYS A 35 -31.986 32.951 -6.767 1.00 53.13 H new ATOM 0 HG3 LYS A 35 -31.966 32.147 -8.324 1.00 53.13 H new ATOM 0 HD2 LYS A 35 -30.198 30.815 -7.768 1.00 11.22 H new ATOM 0 HD3 LYS A 35 -29.353 32.105 -6.934 1.00 11.22 H new ATOM 0 HE2 LYS A 35 -31.755 30.604 -5.812 1.00 11.23 H new ATOM 0 HE3 LYS A 35 -30.085 30.242 -5.420 1.00 11.23 H new ATOM 0 HZ1 LYS A 35 -30.687 31.624 -3.710 1.00 50.13 H new ATOM 0 HZ2 LYS A 35 -30.005 32.749 -4.784 1.00 50.13 H new ATOM 0 HZ3 LYS A 35 -31.693 32.595 -4.675 1.00 50.13 H new ATOM 637 N GLN A 36 -32.109 36.252 -9.081 1.00 63.32 N ATOM 638 CA GLN A 36 -33.184 37.235 -9.018 1.00 5.04 C ATOM 639 C GLN A 36 -33.769 37.492 -10.402 1.00 44.24 C ATOM 640 O GLN A 36 -34.944 37.835 -10.537 1.00 40.24 O ATOM 641 CB GLN A 36 -32.670 38.545 -8.417 1.00 32.34 C ATOM 642 CG GLN A 36 -33.583 39.122 -7.347 1.00 51.20 C ATOM 643 CD GLN A 36 -34.073 40.516 -7.688 1.00 23.20 C ATOM 644 OE1 GLN A 36 -33.407 41.262 -8.406 1.00 64.01 O ATOM 645 NE2 GLN A 36 -35.243 40.875 -7.173 1.00 71.24 N ATOM 0 H GLN A 36 -31.227 36.565 -8.676 1.00 63.32 H new ATOM 0 HA GLN A 36 -33.972 36.834 -8.380 1.00 5.04 H new ATOM 0 HB2 GLN A 36 -31.683 38.376 -7.988 1.00 32.34 H new ATOM 0 HB3 GLN A 36 -32.549 39.278 -9.214 1.00 32.34 H new ATOM 0 HG2 GLN A 36 -34.440 38.463 -7.212 1.00 51.20 H new ATOM 0 HG3 GLN A 36 -33.050 39.151 -6.397 1.00 51.20 H new ATOM 0 HE21 GLN A 36 -35.762 40.224 -6.583 1.00 71.24 H new ATOM 0 HE22 GLN A 36 -35.623 41.801 -7.368 1.00 71.24 H new ATOM 654 N LEU A 37 -32.942 37.325 -11.429 1.00 30.03 N ATOM 655 CA LEU A 37 -33.377 37.539 -12.804 1.00 54.35 C ATOM 656 C LEU A 37 -34.382 36.473 -13.230 1.00 43.22 C ATOM 657 O LEU A 37 -35.520 36.783 -13.579 1.00 53.24 O ATOM 658 CB LEU A 37 -32.174 37.528 -13.749 1.00 2.44 C ATOM 659 CG LEU A 37 -31.916 38.822 -14.522 1.00 60.23 C ATOM 660 CD1 LEU A 37 -33.168 39.256 -15.268 1.00 51.41 C ATOM 661 CD2 LEU A 37 -31.445 39.921 -13.581 1.00 42.25 C ATOM 0 H LEU A 37 -31.967 37.042 -11.335 1.00 30.03 H new ATOM 0 HA LEU A 37 -33.864 38.513 -12.857 1.00 54.35 H new ATOM 0 HB2 LEU A 37 -31.283 37.292 -13.168 1.00 2.44 H new ATOM 0 HB3 LEU A 37 -32.309 36.720 -14.468 1.00 2.44 H new ATOM 0 HG LEU A 37 -31.129 38.636 -15.253 1.00 60.23 H new ATOM 0 HD11 LEU A 37 -32.966 40.178 -15.812 1.00 51.41 H new ATOM 0 HD12 LEU A 37 -33.461 38.476 -15.971 1.00 51.41 H new ATOM 0 HD13 LEU A 37 -33.976 39.425 -14.556 1.00 51.41 H new ATOM 0 HD21 LEU A 37 -31.266 40.834 -14.149 1.00 42.25 H new ATOM 0 HD22 LEU A 37 -32.210 40.106 -12.827 1.00 42.25 H new ATOM 0 HD23 LEU A 37 -30.521 39.611 -13.093 1.00 42.25 H new ATOM 673 N ALA A 38 -33.952 35.216 -13.196 1.00 73.14 N ATOM 674 CA ALA A 38 -34.815 34.104 -13.575 1.00 31.44 C ATOM 675 C ALA A 38 -36.044 34.031 -12.675 1.00 1.44 C ATOM 676 O ALA A 38 -37.130 33.656 -13.117 1.00 42.44 O ATOM 677 CB ALA A 38 -34.042 32.794 -13.521 1.00 41.24 C ATOM 0 H ALA A 38 -33.012 34.942 -12.910 1.00 73.14 H new ATOM 0 HA ALA A 38 -35.154 34.272 -14.597 1.00 31.44 H new ATOM 0 HB1 ALA A 38 -34.699 31.972 -13.806 1.00 41.24 H new ATOM 0 HB2 ALA A 38 -33.199 32.841 -14.210 1.00 41.24 H new ATOM 0 HB3 ALA A 38 -33.674 32.630 -12.508 1.00 41.24 H new ATOM 683 N LYS A 39 -35.866 34.392 -11.408 1.00 50.22 N ATOM 684 CA LYS A 39 -36.960 34.369 -10.445 1.00 12.33 C ATOM 685 C LYS A 39 -38.092 35.291 -10.885 1.00 55.51 C ATOM 686 O LYS A 39 -39.263 35.023 -10.618 1.00 51.35 O ATOM 687 CB LYS A 39 -36.457 34.787 -9.061 1.00 32.41 C ATOM 688 CG LYS A 39 -37.257 34.188 -7.917 1.00 30.31 C ATOM 689 CD LYS A 39 -36.533 34.341 -6.590 1.00 10.41 C ATOM 690 CE LYS A 39 -36.814 35.695 -5.955 1.00 71.30 C ATOM 691 NZ LYS A 39 -37.292 35.560 -4.551 1.00 5.21 N ATOM 0 H LYS A 39 -34.974 34.704 -11.025 1.00 50.22 H new ATOM 0 HA LYS A 39 -37.344 33.350 -10.394 1.00 12.33 H new ATOM 0 HB2 LYS A 39 -35.413 34.490 -8.958 1.00 32.41 H new ATOM 0 HB3 LYS A 39 -36.488 35.874 -8.985 1.00 32.41 H new ATOM 0 HG2 LYS A 39 -38.231 34.674 -7.859 1.00 30.31 H new ATOM 0 HG3 LYS A 39 -37.439 33.131 -8.113 1.00 30.31 H new ATOM 0 HD2 LYS A 39 -36.845 33.548 -5.911 1.00 10.41 H new ATOM 0 HD3 LYS A 39 -35.460 34.226 -6.744 1.00 10.41 H new ATOM 0 HE2 LYS A 39 -35.908 36.300 -5.974 1.00 71.30 H new ATOM 0 HE3 LYS A 39 -37.563 36.224 -6.544 1.00 71.30 H new ATOM 0 HZ1 LYS A 39 -37.472 36.504 -4.153 1.00 5.21 H new ATOM 0 HZ2 LYS A 39 -38.171 35.004 -4.535 1.00 5.21 H new ATOM 0 HZ3 LYS A 39 -36.567 35.078 -3.982 1.00 5.21 H new