USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 306 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 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.131 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.00659 X(o=0.0066,f=-0.33) USER MOD Single : A 15 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.29) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -177:sc= -0.421 (180deg=-0.551) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.050 1.483 -6.799 1.00 50.31 N ATOM 2 CA ASP A 1 1.479 0.448 -7.732 1.00 32.42 C ATOM 3 C ASP A 1 1.644 -0.891 -7.019 1.00 45.10 C ATOM 4 O ASP A 1 0.900 -1.837 -7.273 1.00 72.03 O ATOM 5 CB ASP A 1 2.793 0.848 -8.403 1.00 5.21 C ATOM 6 CG ASP A 1 3.038 0.093 -9.694 1.00 62.52 C ATOM 7 OD1 ASP A 1 2.610 -1.077 -9.788 1.00 23.23 O ATOM 8 OD2 ASP A 1 3.657 0.671 -10.612 1.00 31.04 O ATOM 0 H1 ASP A 1 0.944 2.385 -7.306 1.00 50.31 H new ATOM 0 H2 ASP A 1 0.138 1.214 -6.377 1.00 50.31 H new ATOM 0 H3 ASP A 1 1.761 1.589 -6.048 1.00 50.31 H new ATOM 0 HA ASP A 1 0.709 0.340 -8.496 1.00 32.42 H new ATOM 0 HB2 ASP A 1 2.781 1.918 -8.608 1.00 5.21 H new ATOM 0 HB3 ASP A 1 3.619 0.664 -7.716 1.00 5.21 H new ATOM 13 N ALA A 2 2.626 -0.963 -6.126 1.00 44.43 N ATOM 14 CA ALA A 2 2.889 -2.184 -5.376 1.00 62.42 C ATOM 15 C ALA A 2 2.465 -2.036 -3.919 1.00 4.10 C ATOM 16 O ALA A 2 1.911 -2.961 -3.328 1.00 33.54 O ATOM 17 CB ALA A 2 4.363 -2.551 -5.464 1.00 63.15 C ATOM 0 H ALA A 2 3.253 -0.189 -5.905 1.00 44.43 H new ATOM 0 HA ALA A 2 2.299 -2.986 -5.819 1.00 62.42 H new ATOM 0 HB1 ALA A 2 4.545 -3.465 -4.899 1.00 63.15 H new ATOM 0 HB2 ALA A 2 4.637 -2.709 -6.507 1.00 63.15 H new ATOM 0 HB3 ALA A 2 4.965 -1.742 -5.049 1.00 63.15 H new ATOM 23 N GLU A 3 2.731 -0.866 -3.346 1.00 61.04 N ATOM 24 CA GLU A 3 2.378 -0.598 -1.957 1.00 71.51 C ATOM 25 C GLU A 3 0.876 -0.754 -1.738 1.00 32.40 C ATOM 26 O GLU A 3 0.440 -1.463 -0.831 1.00 33.23 O ATOM 27 CB GLU A 3 2.819 0.811 -1.558 1.00 0.21 C ATOM 28 CG GLU A 3 4.157 0.849 -0.838 1.00 52.55 C ATOM 29 CD GLU A 3 4.351 2.121 -0.035 1.00 61.13 C ATOM 30 OE1 GLU A 3 4.867 2.032 1.099 1.00 44.45 O ATOM 31 OE2 GLU A 3 3.987 3.204 -0.540 1.00 21.53 O ATOM 0 H GLU A 3 3.190 -0.089 -3.822 1.00 61.04 H new ATOM 0 HA GLU A 3 2.897 -1.324 -1.331 1.00 71.51 H new ATOM 0 HB2 GLU A 3 2.880 1.431 -2.453 1.00 0.21 H new ATOM 0 HB3 GLU A 3 2.057 1.253 -0.915 1.00 0.21 H new ATOM 0 HG2 GLU A 3 4.232 -0.011 -0.173 1.00 52.55 H new ATOM 0 HG3 GLU A 3 4.961 0.758 -1.568 1.00 52.55 H new ATOM 38 N PHE A 4 0.089 -0.086 -2.575 1.00 62.43 N ATOM 39 CA PHE A 4 -1.364 -0.149 -2.473 1.00 51.31 C ATOM 40 C PHE A 4 -1.852 -1.594 -2.526 1.00 4.34 C ATOM 41 O PHE A 4 -2.847 -1.947 -1.894 1.00 32.53 O ATOM 42 CB PHE A 4 -2.011 0.661 -3.599 1.00 21.20 C ATOM 43 CG PHE A 4 -2.800 1.842 -3.111 1.00 42.10 C ATOM 44 CD1 PHE A 4 -2.182 3.063 -2.894 1.00 64.01 C ATOM 45 CD2 PHE A 4 -4.160 1.732 -2.869 1.00 24.42 C ATOM 46 CE1 PHE A 4 -2.905 4.152 -2.445 1.00 43.24 C ATOM 47 CE2 PHE A 4 -4.888 2.817 -2.421 1.00 2.34 C ATOM 48 CZ PHE A 4 -4.259 4.029 -2.207 1.00 74.25 C ATOM 0 H PHE A 4 0.433 0.505 -3.332 1.00 62.43 H new ATOM 0 HA PHE A 4 -1.654 0.279 -1.513 1.00 51.31 H new ATOM 0 HB2 PHE A 4 -1.233 1.010 -4.278 1.00 21.20 H new ATOM 0 HB3 PHE A 4 -2.668 0.008 -4.174 1.00 21.20 H new ATOM 0 HD1 PHE A 4 -1.123 3.165 -3.078 1.00 64.01 H new ATOM 0 HD2 PHE A 4 -4.656 0.787 -3.033 1.00 24.42 H new ATOM 0 HE1 PHE A 4 -2.411 5.098 -2.281 1.00 43.24 H new ATOM 0 HE2 PHE A 4 -5.948 2.718 -2.238 1.00 2.34 H new ATOM 0 HZ PHE A 4 -4.826 4.878 -1.854 1.00 74.25 H new ATOM 58 N ARG A 5 -1.143 -2.424 -3.284 1.00 0.30 N ATOM 59 CA ARG A 5 -1.504 -3.830 -3.421 1.00 44.41 C ATOM 60 C ARG A 5 -0.718 -4.691 -2.437 1.00 65.00 C ATOM 61 O ARG A 5 -0.537 -5.890 -2.652 1.00 21.11 O ATOM 62 CB ARG A 5 -1.246 -4.307 -4.852 1.00 15.14 C ATOM 63 CG ARG A 5 -2.418 -4.074 -5.791 1.00 51.23 C ATOM 64 CD ARG A 5 -2.760 -2.596 -5.899 1.00 41.15 C ATOM 65 NE ARG A 5 -3.320 -2.258 -7.205 1.00 44.23 N ATOM 66 CZ ARG A 5 -4.586 -2.478 -7.542 1.00 24.52 C ATOM 67 NH1 ARG A 5 -5.419 -3.034 -6.673 1.00 2.12 N ATOM 68 NH2 ARG A 5 -5.020 -2.143 -8.750 1.00 15.13 N ATOM 0 H ARG A 5 -0.316 -2.147 -3.812 1.00 0.30 H new ATOM 0 HA ARG A 5 -2.566 -3.931 -3.197 1.00 44.41 H new ATOM 0 HB2 ARG A 5 -0.369 -3.793 -5.245 1.00 15.14 H new ATOM 0 HB3 ARG A 5 -1.011 -5.371 -4.835 1.00 15.14 H new ATOM 0 HG2 ARG A 5 -2.177 -4.466 -6.779 1.00 51.23 H new ATOM 0 HG3 ARG A 5 -3.288 -4.625 -5.433 1.00 51.23 H new ATOM 0 HD2 ARG A 5 -3.474 -2.331 -5.119 1.00 41.15 H new ATOM 0 HD3 ARG A 5 -1.862 -2.003 -5.725 1.00 41.15 H new ATOM 0 HE ARG A 5 -2.705 -1.829 -7.897 1.00 44.23 H new ATOM 0 HH11 ARG A 5 -5.088 -3.294 -5.744 1.00 2.12 H new ATOM 0 HH12 ARG A 5 -6.391 -3.202 -6.934 1.00 2.12 H new ATOM 0 HH21 ARG A 5 -4.381 -1.716 -9.421 1.00 15.13 H new ATOM 0 HH22 ARG A 5 -5.992 -2.312 -9.008 1.00 15.13 H new ATOM 82 N HIS A 6 -0.252 -4.071 -1.357 1.00 64.52 N ATOM 83 CA HIS A 6 0.515 -4.781 -0.340 1.00 23.44 C ATOM 84 C HIS A 6 -0.332 -5.028 0.905 1.00 25.32 C ATOM 85 O HIS A 6 0.192 -5.118 2.016 1.00 72.51 O ATOM 86 CB HIS A 6 1.768 -3.988 0.031 1.00 44.40 C ATOM 87 CG HIS A 6 2.952 -4.850 0.346 1.00 1.41 C ATOM 88 ND1 HIS A 6 4.253 -4.453 0.121 1.00 43.23 N ATOM 89 CD2 HIS A 6 3.026 -6.094 0.874 1.00 13.30 C ATOM 90 CE1 HIS A 6 5.076 -5.416 0.495 1.00 61.33 C ATOM 91 NE2 HIS A 6 4.356 -6.423 0.956 1.00 63.20 N ATOM 0 H HIS A 6 -0.392 -3.079 -1.164 1.00 64.52 H new ATOM 0 HA HIS A 6 0.813 -5.745 -0.753 1.00 23.44 H new ATOM 0 HB2 HIS A 6 2.023 -3.322 -0.793 1.00 44.40 H new ATOM 0 HB3 HIS A 6 1.548 -3.359 0.893 1.00 44.40 H new ATOM 0 HD2 HIS A 6 2.193 -6.713 1.175 1.00 13.30 H new ATOM 0 HE1 HIS A 6 6.154 -5.385 0.434 1.00 61.33 H new ATOM 0 HE2 HIS A 6 4.728 -7.302 1.315 1.00 63.20 H new ATOM 99 N ASP A 7 -1.641 -5.136 0.712 1.00 54.31 N ATOM 100 CA ASP A 7 -2.561 -5.372 1.819 1.00 62.32 C ATOM 101 C ASP A 7 -2.897 -6.855 1.938 1.00 33.42 C ATOM 102 O ASP A 7 -3.517 -7.435 1.046 1.00 22.35 O ATOM 103 CB ASP A 7 -3.842 -4.560 1.628 1.00 54.41 C ATOM 104 CG ASP A 7 -3.845 -3.282 2.445 1.00 71.43 C ATOM 105 OD1 ASP A 7 -4.232 -2.229 1.897 1.00 14.45 O ATOM 106 OD2 ASP A 7 -3.461 -3.337 3.631 1.00 2.24 O ATOM 0 H ASP A 7 -2.090 -5.064 -0.201 1.00 54.31 H new ATOM 0 HA ASP A 7 -2.073 -5.053 2.740 1.00 62.32 H new ATOM 0 HB2 ASP A 7 -3.958 -4.313 0.573 1.00 54.41 H new ATOM 0 HB3 ASP A 7 -4.701 -5.170 1.909 1.00 54.41 H new ATOM 111 N SER A 8 -2.484 -7.464 3.045 1.00 3.44 N ATOM 112 CA SER A 8 -2.737 -8.881 3.279 1.00 1.53 C ATOM 113 C SER A 8 -4.218 -9.131 3.546 1.00 10.12 C ATOM 114 O SER A 8 -4.708 -10.249 3.393 1.00 25.13 O ATOM 115 CB SER A 8 -1.903 -9.381 4.460 1.00 64.21 C ATOM 116 OG SER A 8 -0.973 -8.398 4.881 1.00 63.14 O ATOM 0 H SER A 8 -1.972 -6.998 3.794 1.00 3.44 H new ATOM 0 HA SER A 8 -2.449 -9.429 2.382 1.00 1.53 H new ATOM 0 HB2 SER A 8 -2.561 -9.642 5.289 1.00 64.21 H new ATOM 0 HB3 SER A 8 -1.372 -10.290 4.176 1.00 64.21 H new ATOM 0 HG SER A 8 -0.454 -8.742 5.638 1.00 63.14 H new ATOM 122 N GLY A 9 -4.927 -8.080 3.947 1.00 41.44 N ATOM 123 CA GLY A 9 -6.345 -8.205 4.229 1.00 62.00 C ATOM 124 C GLY A 9 -7.195 -7.327 3.332 1.00 65.34 C ATOM 125 O GLY A 9 -8.311 -7.697 2.966 1.00 24.31 O ATOM 0 H GLY A 9 -4.544 -7.144 4.082 1.00 41.44 H new ATOM 0 HA2 GLY A 9 -6.646 -9.245 4.105 1.00 62.00 H new ATOM 0 HA3 GLY A 9 -6.530 -7.942 5.270 1.00 62.00 H new ATOM 129 N TYR A 10 -6.667 -6.161 2.977 1.00 52.13 N ATOM 130 CA TYR A 10 -7.387 -5.226 2.120 1.00 44.11 C ATOM 131 C TYR A 10 -7.252 -5.618 0.652 1.00 62.13 C ATOM 132 O TYR A 10 -8.077 -5.243 -0.180 1.00 52.40 O ATOM 133 CB TYR A 10 -6.864 -3.804 2.330 1.00 41.25 C ATOM 134 CG TYR A 10 -7.959 -2.769 2.454 1.00 2.55 C ATOM 135 CD1 TYR A 10 -8.798 -2.484 1.384 1.00 31.12 C ATOM 136 CD2 TYR A 10 -8.154 -2.074 3.642 1.00 64.20 C ATOM 137 CE1 TYR A 10 -9.799 -1.539 1.493 1.00 14.53 C ATOM 138 CE2 TYR A 10 -9.153 -1.128 3.761 1.00 72.24 C ATOM 139 CZ TYR A 10 -9.973 -0.864 2.684 1.00 53.34 C ATOM 140 OH TYR A 10 -10.969 0.079 2.797 1.00 33.03 O ATOM 0 H TYR A 10 -5.744 -5.841 3.269 1.00 52.13 H new ATOM 0 HA TYR A 10 -8.442 -5.262 2.391 1.00 44.11 H new ATOM 0 HB2 TYR A 10 -6.250 -3.781 3.230 1.00 41.25 H new ATOM 0 HB3 TYR A 10 -6.216 -3.537 1.495 1.00 41.25 H new ATOM 0 HD1 TYR A 10 -8.665 -3.011 0.451 1.00 31.12 H new ATOM 0 HD2 TYR A 10 -7.513 -2.277 4.487 1.00 64.20 H new ATOM 0 HE1 TYR A 10 -10.442 -1.329 0.651 1.00 14.53 H new ATOM 0 HE2 TYR A 10 -9.291 -0.598 4.692 1.00 72.24 H new ATOM 0 HH TYR A 10 -10.958 0.460 3.700 1.00 33.03 H new ATOM 150 N GLU A 11 -6.205 -6.377 0.342 1.00 2.52 N ATOM 151 CA GLU A 11 -5.961 -6.820 -1.025 1.00 52.14 C ATOM 152 C GLU A 11 -6.096 -8.336 -1.138 1.00 40.31 C ATOM 153 O GLU A 11 -5.125 -9.037 -1.420 1.00 64.42 O ATOM 154 CB GLU A 11 -4.568 -6.385 -1.486 1.00 31.25 C ATOM 155 CG GLU A 11 -4.463 -6.166 -2.985 1.00 74.04 C ATOM 156 CD GLU A 11 -4.521 -7.462 -3.770 1.00 23.51 C ATOM 157 OE1 GLU A 11 -5.601 -7.781 -4.311 1.00 4.34 O ATOM 158 OE2 GLU A 11 -3.487 -8.159 -3.843 1.00 3.41 O ATOM 0 H GLU A 11 -5.513 -6.697 1.019 1.00 2.52 H new ATOM 0 HA GLU A 11 -6.709 -6.357 -1.668 1.00 52.14 H new ATOM 0 HB2 GLU A 11 -4.297 -5.462 -0.973 1.00 31.25 H new ATOM 0 HB3 GLU A 11 -3.843 -7.142 -1.186 1.00 31.25 H new ATOM 0 HG2 GLU A 11 -5.272 -5.512 -3.310 1.00 74.04 H new ATOM 0 HG3 GLU A 11 -3.528 -5.652 -3.209 1.00 74.04 H new ATOM 165 N VAL A 12 -7.308 -8.834 -0.915 1.00 22.42 N ATOM 166 CA VAL A 12 -7.571 -10.266 -0.991 1.00 72.44 C ATOM 167 C VAL A 12 -8.959 -10.540 -1.561 1.00 23.23 C ATOM 168 O VAL A 12 -9.532 -9.702 -2.258 1.00 32.35 O ATOM 169 CB VAL A 12 -7.455 -10.933 0.392 1.00 32.22 C ATOM 170 CG1 VAL A 12 -6.704 -12.252 0.288 1.00 3.43 C ATOM 171 CG2 VAL A 12 -6.773 -9.997 1.379 1.00 70.54 C ATOM 0 H VAL A 12 -8.123 -8.267 -0.680 1.00 22.42 H new ATOM 0 HA VAL A 12 -6.818 -10.691 -1.655 1.00 72.44 H new ATOM 0 HB VAL A 12 -8.459 -11.143 0.760 1.00 32.22 H new ATOM 0 HG11 VAL A 12 -6.632 -12.709 1.275 1.00 3.43 H new ATOM 0 HG12 VAL A 12 -7.239 -12.923 -0.384 1.00 3.43 H new ATOM 0 HG13 VAL A 12 -5.702 -12.071 -0.102 1.00 3.43 H new ATOM 0 HG21 VAL A 12 -6.699 -10.484 2.351 1.00 70.54 H new ATOM 0 HG22 VAL A 12 -5.774 -9.754 1.018 1.00 70.54 H new ATOM 0 HG23 VAL A 12 -7.357 -9.082 1.475 1.00 70.54 H new ATOM 181 N HIS A 13 -9.494 -11.719 -1.259 1.00 12.10 N ATOM 182 CA HIS A 13 -10.816 -12.104 -1.740 1.00 14.51 C ATOM 183 C HIS A 13 -11.822 -10.976 -1.525 1.00 63.13 C ATOM 184 O HIS A 13 -12.814 -10.869 -2.247 1.00 64.13 O ATOM 185 CB HIS A 13 -11.293 -13.370 -1.028 1.00 2.13 C ATOM 186 CG HIS A 13 -12.717 -13.300 -0.570 1.00 11.32 C ATOM 187 ND1 HIS A 13 -13.771 -13.791 -1.311 1.00 20.52 N ATOM 188 CD2 HIS A 13 -13.259 -12.793 0.562 1.00 12.31 C ATOM 189 CE1 HIS A 13 -14.900 -13.588 -0.655 1.00 62.42 C ATOM 190 NE2 HIS A 13 -14.617 -12.984 0.485 1.00 63.33 N ATOM 0 H HIS A 13 -9.033 -12.424 -0.684 1.00 12.10 H new ATOM 0 HA HIS A 13 -10.742 -12.304 -2.809 1.00 14.51 H new ATOM 0 HB2 HIS A 13 -11.178 -14.220 -1.700 1.00 2.13 H new ATOM 0 HB3 HIS A 13 -10.652 -13.556 -0.166 1.00 2.13 H new ATOM 0 HD2 HIS A 13 -12.723 -12.325 1.375 1.00 12.31 H new ATOM 0 HE1 HIS A 13 -15.887 -13.868 -0.994 1.00 62.42 H new ATOM 0 HE2 HIS A 13 -15.296 -12.705 1.193 1.00 63.33 H new ATOM 198 N HIS A 14 -11.559 -10.138 -0.528 1.00 14.42 N ATOM 199 CA HIS A 14 -12.442 -9.018 -0.218 1.00 64.10 C ATOM 200 C HIS A 14 -12.881 -8.304 -1.493 1.00 35.33 C ATOM 201 O HIS A 14 -14.004 -7.807 -1.580 1.00 4.41 O ATOM 202 CB HIS A 14 -11.740 -8.032 0.716 1.00 31.05 C ATOM 203 CG HIS A 14 -12.654 -7.411 1.728 1.00 71.43 C ATOM 204 ND1 HIS A 14 -13.999 -7.209 1.502 1.00 34.34 N ATOM 205 CD2 HIS A 14 -12.410 -6.949 2.976 1.00 3.01 C ATOM 206 CE1 HIS A 14 -14.543 -6.648 2.568 1.00 45.23 C ATOM 207 NE2 HIS A 14 -13.599 -6.480 3.477 1.00 51.43 N ATOM 0 H HIS A 14 -10.743 -10.212 0.079 1.00 14.42 H new ATOM 0 HA HIS A 14 -13.328 -9.412 0.281 1.00 64.10 H new ATOM 0 HB2 HIS A 14 -10.933 -8.548 1.236 1.00 31.05 H new ATOM 0 HB3 HIS A 14 -11.282 -7.243 0.120 1.00 31.05 H new ATOM 0 HD1 HIS A 14 -14.496 -7.454 0.646 1.00 34.34 H new ATOM 0 HD2 HIS A 14 -11.457 -6.949 3.484 1.00 3.01 H new ATOM 0 HE1 HIS A 14 -15.582 -6.374 2.677 1.00 45.23 H new ATOM 215 N GLN A 15 -11.990 -8.258 -2.477 1.00 63.11 N ATOM 216 CA GLN A 15 -12.286 -7.604 -3.746 1.00 15.41 C ATOM 217 C GLN A 15 -12.383 -8.624 -4.875 1.00 61.03 C ATOM 218 O GLN A 15 -11.371 -9.036 -5.442 1.00 62.23 O ATOM 219 CB GLN A 15 -11.212 -6.565 -4.072 1.00 10.34 C ATOM 220 CG GLN A 15 -10.876 -5.651 -2.904 1.00 42.34 C ATOM 221 CD GLN A 15 -9.490 -5.046 -3.017 1.00 53.31 C ATOM 222 OE1 GLN A 15 -9.321 -3.830 -2.917 1.00 71.21 O ATOM 223 NE2 GLN A 15 -8.489 -5.893 -3.226 1.00 54.14 N ATOM 0 H GLN A 15 -11.057 -8.666 -2.420 1.00 63.11 H new ATOM 0 HA GLN A 15 -13.249 -7.102 -3.651 1.00 15.41 H new ATOM 0 HB2 GLN A 15 -10.306 -7.079 -4.393 1.00 10.34 H new ATOM 0 HB3 GLN A 15 -11.548 -5.958 -4.913 1.00 10.34 H new ATOM 0 HG2 GLN A 15 -11.614 -4.851 -2.849 1.00 42.34 H new ATOM 0 HG3 GLN A 15 -10.948 -6.215 -1.974 1.00 42.34 H new ATOM 0 HE21 GLN A 15 -8.675 -6.893 -3.302 1.00 54.14 H new ATOM 0 HE22 GLN A 15 -7.534 -5.544 -3.310 1.00 54.14 H new ATOM 232 N LYS A 16 -13.607 -9.029 -5.197 1.00 42.44 N ATOM 233 CA LYS A 16 -13.837 -10.000 -6.260 1.00 31.42 C ATOM 234 C LYS A 16 -14.949 -9.533 -7.193 1.00 53.11 C ATOM 235 O LYS A 16 -15.348 -10.252 -8.110 1.00 64.42 O ATOM 236 CB LYS A 16 -14.196 -11.363 -5.663 1.00 74.24 C ATOM 237 CG LYS A 16 -14.209 -12.489 -6.683 1.00 21.12 C ATOM 238 CD LYS A 16 -14.235 -13.851 -6.009 1.00 51.13 C ATOM 239 CE LYS A 16 -15.542 -14.581 -6.279 1.00 11.24 C ATOM 240 NZ LYS A 16 -16.538 -14.352 -5.196 1.00 33.35 N ATOM 0 H LYS A 16 -14.455 -8.699 -4.737 1.00 42.44 H new ATOM 0 HA LYS A 16 -12.918 -10.093 -6.838 1.00 31.42 H new ATOM 0 HB2 LYS A 16 -13.482 -11.605 -4.876 1.00 74.24 H new ATOM 0 HB3 LYS A 16 -15.178 -11.298 -5.194 1.00 74.24 H new ATOM 0 HG2 LYS A 16 -15.080 -12.385 -7.330 1.00 21.12 H new ATOM 0 HG3 LYS A 16 -13.328 -12.414 -7.320 1.00 21.12 H new ATOM 0 HD2 LYS A 16 -13.400 -14.452 -6.369 1.00 51.13 H new ATOM 0 HD3 LYS A 16 -14.100 -13.729 -4.934 1.00 51.13 H new ATOM 0 HE2 LYS A 16 -15.956 -14.246 -7.230 1.00 11.24 H new ATOM 0 HE3 LYS A 16 -15.348 -15.649 -6.375 1.00 11.24 H new ATOM 0 HZ1 LYS A 16 -17.415 -14.866 -5.417 1.00 33.35 H new ATOM 0 HZ2 LYS A 16 -16.154 -14.695 -4.293 1.00 33.35 H new ATOM 0 HZ3 LYS A 16 -16.742 -13.335 -5.121 1.00 33.35 H new ATOM 254 N LEU A 17 -15.446 -8.324 -6.955 1.00 60.11 N ATOM 255 CA LEU A 17 -16.512 -7.760 -7.776 1.00 3.42 C ATOM 256 C LEU A 17 -16.107 -6.398 -8.333 1.00 31.51 C ATOM 257 O LEU A 17 -16.456 -6.049 -9.461 1.00 2.24 O ATOM 258 CB LEU A 17 -17.797 -7.627 -6.957 1.00 1.31 C ATOM 259 CG LEU A 17 -17.639 -7.053 -5.548 1.00 40.14 C ATOM 260 CD1 LEU A 17 -18.878 -6.265 -5.151 1.00 23.42 C ATOM 261 CD2 LEU A 17 -17.368 -8.166 -4.547 1.00 0.25 C ATOM 0 H LEU A 17 -15.128 -7.716 -6.201 1.00 60.11 H new ATOM 0 HA LEU A 17 -16.690 -8.436 -8.612 1.00 3.42 H new ATOM 0 HB2 LEU A 17 -18.492 -6.995 -7.509 1.00 1.31 H new ATOM 0 HB3 LEU A 17 -18.257 -8.612 -6.877 1.00 1.31 H new ATOM 0 HG LEU A 17 -16.786 -6.374 -5.546 1.00 40.14 H new ATOM 0 HD11 LEU A 17 -18.748 -5.864 -4.146 1.00 23.42 H new ATOM 0 HD12 LEU A 17 -19.027 -5.444 -5.852 1.00 23.42 H new ATOM 0 HD13 LEU A 17 -19.748 -6.921 -5.170 1.00 23.42 H new ATOM 0 HD21 LEU A 17 -17.258 -7.740 -3.550 1.00 0.25 H new ATOM 0 HD22 LEU A 17 -18.200 -8.870 -4.551 1.00 0.25 H new ATOM 0 HD23 LEU A 17 -16.451 -8.687 -4.822 1.00 0.25 H new ATOM 273 N VAL A 18 -15.367 -5.635 -7.535 1.00 52.54 N ATOM 274 CA VAL A 18 -14.912 -4.313 -7.950 1.00 3.13 C ATOM 275 C VAL A 18 -13.877 -4.413 -9.065 1.00 53.21 C ATOM 276 O VAL A 18 -13.533 -3.415 -9.699 1.00 14.22 O ATOM 277 CB VAL A 18 -14.304 -3.533 -6.769 1.00 25.22 C ATOM 278 CG1 VAL A 18 -12.977 -4.147 -6.350 1.00 25.40 C ATOM 279 CG2 VAL A 18 -14.130 -2.066 -7.132 1.00 74.23 C ATOM 0 H VAL A 18 -15.070 -5.909 -6.598 1.00 52.54 H new ATOM 0 HA VAL A 18 -15.787 -3.778 -8.318 1.00 3.13 H new ATOM 0 HB VAL A 18 -14.990 -3.596 -5.924 1.00 25.22 H new ATOM 0 HG11 VAL A 18 -12.563 -3.583 -5.515 1.00 25.40 H new ATOM 0 HG12 VAL A 18 -13.135 -5.182 -6.046 1.00 25.40 H new ATOM 0 HG13 VAL A 18 -12.281 -4.117 -7.189 1.00 25.40 H new ATOM 0 HG21 VAL A 18 -13.699 -1.530 -6.286 1.00 74.23 H new ATOM 0 HG22 VAL A 18 -13.466 -1.980 -7.992 1.00 74.23 H new ATOM 0 HG23 VAL A 18 -15.100 -1.635 -7.379 1.00 74.23 H new ATOM 289 N PHE A 19 -13.384 -5.624 -9.301 1.00 34.23 N ATOM 290 CA PHE A 19 -12.388 -5.855 -10.340 1.00 70.31 C ATOM 291 C PHE A 19 -13.049 -5.979 -11.710 1.00 34.04 C ATOM 292 O PHE A 19 -12.817 -6.944 -12.439 1.00 14.43 O ATOM 293 CB PHE A 19 -11.584 -7.120 -10.033 1.00 71.53 C ATOM 294 CG PHE A 19 -10.211 -7.121 -10.643 1.00 14.01 C ATOM 295 CD1 PHE A 19 -9.203 -6.334 -10.112 1.00 3.43 C ATOM 296 CD2 PHE A 19 -9.930 -7.908 -11.748 1.00 21.53 C ATOM 297 CE1 PHE A 19 -7.938 -6.332 -10.670 1.00 52.10 C ATOM 298 CE2 PHE A 19 -8.667 -7.911 -12.310 1.00 34.30 C ATOM 299 CZ PHE A 19 -7.671 -7.121 -11.771 1.00 63.23 C ATOM 0 H PHE A 19 -13.658 -6.461 -8.786 1.00 34.23 H new ATOM 0 HA PHE A 19 -11.713 -4.999 -10.358 1.00 70.31 H new ATOM 0 HB2 PHE A 19 -11.493 -7.229 -8.952 1.00 71.53 H new ATOM 0 HB3 PHE A 19 -12.135 -7.988 -10.396 1.00 71.53 H new ATOM 0 HD1 PHE A 19 -9.407 -5.714 -9.252 1.00 3.43 H new ATOM 0 HD2 PHE A 19 -10.706 -8.526 -12.175 1.00 21.53 H new ATOM 0 HE1 PHE A 19 -7.160 -5.714 -10.245 1.00 52.10 H new ATOM 0 HE2 PHE A 19 -8.459 -8.531 -13.170 1.00 34.30 H new ATOM 0 HZ PHE A 19 -6.684 -7.120 -12.210 1.00 63.23 H new ATOM 309 N PHE A 20 -13.875 -4.996 -12.052 1.00 40.43 N ATOM 310 CA PHE A 20 -14.572 -4.994 -13.333 1.00 70.12 C ATOM 311 C PHE A 20 -15.494 -3.784 -13.449 1.00 52.11 C ATOM 312 O PHE A 20 -15.691 -3.242 -14.536 1.00 74.33 O ATOM 313 CB PHE A 20 -15.380 -6.283 -13.500 1.00 1.21 C ATOM 314 CG PHE A 20 -15.146 -6.971 -14.814 1.00 53.03 C ATOM 315 CD1 PHE A 20 -15.419 -6.324 -16.008 1.00 51.45 C ATOM 316 CD2 PHE A 20 -14.654 -8.266 -14.856 1.00 12.44 C ATOM 317 CE1 PHE A 20 -15.205 -6.954 -17.220 1.00 1.21 C ATOM 318 CE2 PHE A 20 -14.438 -8.901 -16.064 1.00 4.31 C ATOM 319 CZ PHE A 20 -14.714 -8.245 -17.247 1.00 55.44 C ATOM 0 H PHE A 20 -14.078 -4.191 -11.460 1.00 40.43 H new ATOM 0 HA PHE A 20 -13.825 -4.936 -14.125 1.00 70.12 H new ATOM 0 HB2 PHE A 20 -15.128 -6.968 -12.690 1.00 1.21 H new ATOM 0 HB3 PHE A 20 -16.441 -6.052 -13.404 1.00 1.21 H new ATOM 0 HD1 PHE A 20 -15.804 -5.315 -15.992 1.00 51.45 H new ATOM 0 HD2 PHE A 20 -14.437 -8.785 -13.934 1.00 12.44 H new ATOM 0 HE1 PHE A 20 -15.421 -6.438 -18.144 1.00 1.21 H new ATOM 0 HE2 PHE A 20 -14.053 -9.910 -16.083 1.00 4.31 H new ATOM 0 HZ PHE A 20 -14.546 -8.740 -18.192 1.00 55.44 H new ATOM 329 N ALA A 21 -16.057 -3.366 -12.320 1.00 2.11 N ATOM 330 CA ALA A 21 -16.957 -2.220 -12.293 1.00 43.45 C ATOM 331 C ALA A 21 -16.208 -0.927 -12.601 1.00 15.01 C ATOM 332 O ALA A 21 -16.804 0.055 -13.042 1.00 51.11 O ATOM 333 CB ALA A 21 -17.648 -2.123 -10.942 1.00 14.33 C ATOM 0 H ALA A 21 -15.905 -3.804 -11.412 1.00 2.11 H new ATOM 0 HA ALA A 21 -17.713 -2.364 -13.065 1.00 43.45 H new ATOM 0 HB1 ALA A 21 -18.317 -1.262 -10.936 1.00 14.33 H new ATOM 0 HB2 ALA A 21 -18.223 -3.031 -10.762 1.00 14.33 H new ATOM 0 HB3 ALA A 21 -16.900 -2.006 -10.158 1.00 14.33 H new ATOM 339 N GLU A 22 -14.900 -0.935 -12.364 1.00 74.10 N ATOM 340 CA GLU A 22 -14.072 0.239 -12.615 1.00 31.42 C ATOM 341 C GLU A 22 -13.552 0.241 -14.049 1.00 51.14 C ATOM 342 O GLU A 22 -12.344 0.283 -14.283 1.00 71.31 O ATOM 343 CB GLU A 22 -12.898 0.280 -11.635 1.00 4.11 C ATOM 344 CG GLU A 22 -12.469 1.688 -11.258 1.00 11.32 C ATOM 345 CD GLU A 22 -13.610 2.515 -10.697 1.00 20.33 C ATOM 346 OE1 GLU A 22 -13.521 3.759 -10.748 1.00 55.44 O ATOM 347 OE2 GLU A 22 -14.591 1.917 -10.206 1.00 4.41 O ATOM 0 H GLU A 22 -14.391 -1.740 -11.999 1.00 74.10 H new ATOM 0 HA GLU A 22 -14.689 1.126 -12.470 1.00 31.42 H new ATOM 0 HB2 GLU A 22 -13.172 -0.262 -10.730 1.00 4.11 H new ATOM 0 HB3 GLU A 22 -12.050 -0.244 -12.075 1.00 4.11 H new ATOM 0 HG2 GLU A 22 -11.667 1.635 -10.521 1.00 11.32 H new ATOM 0 HG3 GLU A 22 -12.061 2.187 -12.137 1.00 11.32 H new ATOM 354 N ASP A 23 -14.473 0.196 -15.006 1.00 22.20 N ATOM 355 CA ASP A 23 -14.109 0.193 -16.418 1.00 43.31 C ATOM 356 C ASP A 23 -15.353 0.212 -17.300 1.00 72.42 C ATOM 357 O ASP A 23 -15.366 0.837 -18.361 1.00 32.23 O ATOM 358 CB ASP A 23 -13.255 -1.033 -16.745 1.00 31.15 C ATOM 359 CG ASP A 23 -13.002 -1.183 -18.232 1.00 23.03 C ATOM 360 OD1 ASP A 23 -12.542 -0.204 -18.857 1.00 72.43 O ATOM 361 OD2 ASP A 23 -13.262 -2.279 -18.770 1.00 32.11 O ATOM 0 H ASP A 23 -15.477 0.161 -14.829 1.00 22.20 H new ATOM 0 HA ASP A 23 -13.529 1.094 -16.620 1.00 43.31 H new ATOM 0 HB2 ASP A 23 -12.301 -0.957 -16.223 1.00 31.15 H new ATOM 0 HB3 ASP A 23 -13.752 -1.928 -16.372 1.00 31.15 H new ATOM 366 N VAL A 24 -16.398 -0.479 -16.855 1.00 71.22 N ATOM 367 CA VAL A 24 -17.648 -0.542 -17.604 1.00 23.53 C ATOM 368 C VAL A 24 -18.192 0.854 -17.884 1.00 64.22 C ATOM 369 O VAL A 24 -18.918 1.065 -18.854 1.00 41.33 O ATOM 370 CB VAL A 24 -18.715 -1.355 -16.846 1.00 50.35 C ATOM 371 CG1 VAL A 24 -19.995 -1.446 -17.663 1.00 14.04 C ATOM 372 CG2 VAL A 24 -18.188 -2.741 -16.509 1.00 34.33 C ATOM 0 H VAL A 24 -16.404 -1.003 -15.980 1.00 71.22 H new ATOM 0 HA VAL A 24 -17.427 -1.038 -18.549 1.00 23.53 H new ATOM 0 HB VAL A 24 -18.944 -0.842 -15.912 1.00 50.35 H new ATOM 0 HG11 VAL A 24 -20.738 -2.024 -17.113 1.00 14.04 H new ATOM 0 HG12 VAL A 24 -20.380 -0.443 -17.849 1.00 14.04 H new ATOM 0 HG13 VAL A 24 -19.786 -1.936 -18.614 1.00 14.04 H new ATOM 0 HG21 VAL A 24 -18.954 -3.302 -15.974 1.00 34.33 H new ATOM 0 HG22 VAL A 24 -17.930 -3.266 -17.429 1.00 34.33 H new ATOM 0 HG23 VAL A 24 -17.301 -2.650 -15.882 1.00 34.33 H new ATOM 382 N GLY A 25 -17.834 1.806 -17.027 1.00 71.41 N ATOM 383 CA GLY A 25 -18.295 3.171 -17.200 1.00 71.20 C ATOM 384 C GLY A 25 -17.800 3.791 -18.492 1.00 33.51 C ATOM 385 O GLY A 25 -18.372 4.766 -18.979 1.00 63.11 O ATOM 0 H GLY A 25 -17.233 1.656 -16.216 1.00 71.41 H new ATOM 0 HA2 GLY A 25 -19.385 3.188 -17.187 1.00 71.20 H new ATOM 0 HA3 GLY A 25 -17.957 3.775 -16.358 1.00 71.20 H new ATOM 389 N SER A 26 -16.734 3.224 -19.048 1.00 3.55 N ATOM 390 CA SER A 26 -16.158 3.731 -20.288 1.00 55.20 C ATOM 391 C SER A 26 -16.807 3.067 -21.499 1.00 20.23 C ATOM 392 O SER A 26 -16.121 2.525 -22.364 1.00 72.32 O ATOM 393 CB SER A 26 -14.648 3.492 -20.309 1.00 45.13 C ATOM 394 OG SER A 26 -14.071 3.757 -19.042 1.00 53.41 O ATOM 0 H SER A 26 -16.252 2.413 -18.659 1.00 3.55 H new ATOM 0 HA SER A 26 -16.349 4.803 -20.337 1.00 55.20 H new ATOM 0 HB2 SER A 26 -14.444 2.460 -20.596 1.00 45.13 H new ATOM 0 HB3 SER A 26 -14.186 4.130 -21.063 1.00 45.13 H new ATOM 0 HG SER A 26 -13.105 3.595 -19.082 1.00 53.41 H new ATOM 400 N ASN A 27 -18.134 3.114 -21.551 1.00 72.32 N ATOM 401 CA ASN A 27 -18.877 2.516 -22.655 1.00 10.11 C ATOM 402 C ASN A 27 -18.375 3.042 -23.996 1.00 71.02 C ATOM 403 O ASN A 27 -18.190 2.279 -24.945 1.00 10.40 O ATOM 404 CB ASN A 27 -20.372 2.807 -22.508 1.00 21.25 C ATOM 405 CG ASN A 27 -21.226 1.890 -23.362 1.00 32.15 C ATOM 406 OD1 ASN A 27 -20.710 1.106 -24.158 1.00 50.45 O ATOM 407 ND2 ASN A 27 -22.541 1.984 -23.198 1.00 43.44 N ATOM 0 H ASN A 27 -18.717 3.560 -20.842 1.00 72.32 H new ATOM 0 HA ASN A 27 -18.719 1.438 -22.625 1.00 10.11 H new ATOM 0 HB2 ASN A 27 -20.660 2.697 -21.462 1.00 21.25 H new ATOM 0 HB3 ASN A 27 -20.567 3.843 -22.785 1.00 21.25 H new ATOM 0 HD21 ASN A 27 -23.167 1.392 -23.744 1.00 43.44 H new ATOM 0 HD22 ASN A 27 -22.925 2.649 -22.526 1.00 43.44 H new ATOM 414 N LYS A 28 -18.156 4.351 -24.068 1.00 21.52 N ATOM 415 CA LYS A 28 -17.673 4.980 -25.291 1.00 55.13 C ATOM 416 C LYS A 28 -18.727 4.909 -26.392 1.00 13.22 C ATOM 417 O LYS A 28 -19.250 3.838 -26.696 1.00 21.20 O ATOM 418 CB LYS A 28 -16.383 4.305 -25.762 1.00 11.41 C ATOM 419 CG LYS A 28 -15.251 5.281 -26.034 1.00 21.31 C ATOM 420 CD LYS A 28 -15.416 5.966 -27.380 1.00 74.31 C ATOM 421 CE LYS A 28 -14.502 7.175 -27.506 1.00 72.24 C ATOM 422 NZ LYS A 28 -15.242 8.452 -27.311 1.00 1.34 N ATOM 0 H LYS A 28 -18.306 4.997 -23.293 1.00 21.52 H new ATOM 0 HA LYS A 28 -17.469 6.028 -25.074 1.00 55.13 H new ATOM 0 HB2 LYS A 28 -16.061 3.589 -25.006 1.00 11.41 H new ATOM 0 HB3 LYS A 28 -16.590 3.739 -26.670 1.00 11.41 H new ATOM 0 HG2 LYS A 28 -15.219 6.032 -25.244 1.00 21.31 H new ATOM 0 HG3 LYS A 28 -14.299 4.751 -26.009 1.00 21.31 H new ATOM 0 HD2 LYS A 28 -15.197 5.258 -28.179 1.00 74.31 H new ATOM 0 HD3 LYS A 28 -16.453 6.278 -27.506 1.00 74.31 H new ATOM 0 HE2 LYS A 28 -13.701 7.103 -26.770 1.00 72.24 H new ATOM 0 HE3 LYS A 28 -14.032 7.174 -28.489 1.00 72.24 H new ATOM 0 HZ1 LYS A 28 -14.584 9.252 -27.405 1.00 1.34 H new ATOM 0 HZ2 LYS A 28 -15.990 8.533 -28.029 1.00 1.34 H new ATOM 0 HZ3 LYS A 28 -15.669 8.464 -26.363 1.00 1.34 H new ATOM 436 N GLY A 29 -19.034 6.058 -26.987 1.00 1.23 N ATOM 437 CA GLY A 29 -20.023 6.103 -28.048 1.00 2.52 C ATOM 438 C GLY A 29 -21.419 6.385 -27.528 1.00 5.31 C ATOM 439 O GLY A 29 -22.320 6.716 -28.298 1.00 22.13 O ATOM 0 H GLY A 29 -18.615 6.958 -26.753 1.00 1.23 H new ATOM 0 HA2 GLY A 29 -19.744 6.873 -28.768 1.00 2.52 H new ATOM 0 HA3 GLY A 29 -20.022 5.152 -28.582 1.00 2.52 H new ATOM 443 N ALA A 30 -21.598 6.253 -26.218 1.00 32.32 N ATOM 444 CA ALA A 30 -22.894 6.496 -25.596 1.00 20.30 C ATOM 445 C ALA A 30 -22.754 7.384 -24.365 1.00 1.34 C ATOM 446 O ALA A 30 -23.687 7.513 -23.571 1.00 40.14 O ATOM 447 CB ALA A 30 -23.557 5.177 -25.225 1.00 51.53 C ATOM 0 H ALA A 30 -20.862 5.979 -25.567 1.00 32.32 H new ATOM 0 HA ALA A 30 -23.524 7.017 -26.318 1.00 20.30 H new ATOM 0 HB1 ALA A 30 -24.524 5.373 -24.762 1.00 51.53 H new ATOM 0 HB2 ALA A 30 -23.701 4.577 -26.123 1.00 51.53 H new ATOM 0 HB3 ALA A 30 -22.922 4.635 -24.524 1.00 51.53 H new ATOM 453 N ILE A 31 -21.584 7.994 -24.211 1.00 5.21 N ATOM 454 CA ILE A 31 -21.323 8.871 -23.076 1.00 23.31 C ATOM 455 C ILE A 31 -20.537 10.106 -23.504 1.00 74.32 C ATOM 456 O ILE A 31 -19.691 10.603 -22.762 1.00 4.44 O ATOM 457 CB ILE A 31 -20.543 8.139 -21.967 1.00 50.42 C ATOM 458 CG1 ILE A 31 -20.815 6.635 -22.030 1.00 23.10 C ATOM 459 CG2 ILE A 31 -20.918 8.694 -20.601 1.00 53.43 C ATOM 460 CD1 ILE A 31 -20.430 5.898 -20.766 1.00 52.20 C ATOM 0 H ILE A 31 -20.801 7.897 -24.858 1.00 5.21 H new ATOM 0 HA ILE A 31 -22.293 9.178 -22.685 1.00 23.31 H new ATOM 0 HB ILE A 31 -19.477 8.303 -22.124 1.00 50.42 H new ATOM 0 HG12 ILE A 31 -21.875 6.474 -22.227 1.00 23.10 H new ATOM 0 HG13 ILE A 31 -20.267 6.210 -22.870 1.00 23.10 H new ATOM 0 HG21 ILE A 31 -20.359 8.167 -19.828 1.00 53.43 H new ATOM 0 HG22 ILE A 31 -20.678 9.757 -20.562 1.00 53.43 H new ATOM 0 HG23 ILE A 31 -21.986 8.557 -20.433 1.00 53.43 H new ATOM 0 HD11 ILE A 31 -20.651 4.837 -20.882 1.00 52.20 H new ATOM 0 HD12 ILE A 31 -19.364 6.029 -20.579 1.00 52.20 H new ATOM 0 HD13 ILE A 31 -20.998 6.297 -19.925 1.00 52.20 H new ATOM 472 N ILE A 32 -20.825 10.596 -24.705 1.00 15.20 N ATOM 473 CA ILE A 32 -20.148 11.775 -25.231 1.00 33.03 C ATOM 474 C ILE A 32 -20.611 13.040 -24.515 1.00 24.42 C ATOM 475 O ILE A 32 -19.913 14.053 -24.510 1.00 32.01 O ATOM 476 CB ILE A 32 -20.392 11.937 -26.743 1.00 24.52 C ATOM 477 CG1 ILE A 32 -19.750 13.230 -27.249 1.00 54.14 C ATOM 478 CG2 ILE A 32 -21.883 11.925 -27.044 1.00 1.04 C ATOM 479 CD1 ILE A 32 -18.267 13.320 -26.967 1.00 11.33 C ATOM 0 H ILE A 32 -21.522 10.195 -25.332 1.00 15.20 H new ATOM 0 HA ILE A 32 -19.082 11.630 -25.057 1.00 33.03 H new ATOM 0 HB ILE A 32 -19.931 11.097 -27.263 1.00 24.52 H new ATOM 0 HG12 ILE A 32 -19.913 13.310 -28.324 1.00 54.14 H new ATOM 0 HG13 ILE A 32 -20.252 14.080 -26.787 1.00 54.14 H new ATOM 0 HG21 ILE A 32 -22.039 12.040 -28.117 1.00 1.04 H new ATOM 0 HG22 ILE A 32 -22.313 10.979 -26.715 1.00 1.04 H new ATOM 0 HG23 ILE A 32 -22.367 12.747 -26.517 1.00 1.04 H new ATOM 0 HD11 ILE A 32 -17.880 14.263 -27.354 1.00 11.33 H new ATOM 0 HD12 ILE A 32 -18.098 13.272 -25.891 1.00 11.33 H new ATOM 0 HD13 ILE A 32 -17.753 12.490 -27.452 1.00 11.33 H new ATOM 491 N GLY A 33 -21.792 12.972 -23.909 1.00 32.33 N ATOM 492 CA GLY A 33 -22.327 14.117 -23.196 1.00 52.11 C ATOM 493 C GLY A 33 -22.221 13.965 -21.692 1.00 12.34 C ATOM 494 O GLY A 33 -22.396 14.932 -20.949 1.00 33.04 O ATOM 0 H GLY A 33 -22.388 12.144 -23.899 1.00 32.33 H new ATOM 0 HA2 GLY A 33 -21.793 15.016 -23.506 1.00 52.11 H new ATOM 0 HA3 GLY A 33 -23.372 14.256 -23.471 1.00 52.11 H new ATOM 498 N LEU A 34 -21.936 12.749 -21.240 1.00 44.02 N ATOM 499 CA LEU A 34 -21.808 12.473 -19.813 1.00 71.14 C ATOM 500 C LEU A 34 -20.344 12.308 -19.419 1.00 62.45 C ATOM 501 O LEU A 34 -19.971 12.535 -18.269 1.00 31.41 O ATOM 502 CB LEU A 34 -22.592 11.212 -19.446 1.00 14.12 C ATOM 503 CG LEU A 34 -23.814 11.419 -18.550 1.00 53.11 C ATOM 504 CD1 LEU A 34 -24.861 10.349 -18.820 1.00 12.53 C ATOM 505 CD2 LEU A 34 -23.408 11.412 -17.084 1.00 2.44 C ATOM 0 H LEU A 34 -21.789 11.938 -21.841 1.00 44.02 H new ATOM 0 HA LEU A 34 -22.218 13.321 -19.266 1.00 71.14 H new ATOM 0 HB2 LEU A 34 -22.919 10.731 -20.368 1.00 14.12 H new ATOM 0 HB3 LEU A 34 -21.914 10.519 -18.948 1.00 14.12 H new ATOM 0 HG LEU A 34 -24.249 12.391 -18.781 1.00 53.11 H new ATOM 0 HD11 LEU A 34 -25.723 10.512 -18.173 1.00 12.53 H new ATOM 0 HD12 LEU A 34 -25.174 10.401 -19.863 1.00 12.53 H new ATOM 0 HD13 LEU A 34 -24.437 9.366 -18.618 1.00 12.53 H new ATOM 0 HD21 LEU A 34 -24.290 11.561 -16.461 1.00 2.44 H new ATOM 0 HD22 LEU A 34 -22.948 10.455 -16.839 1.00 2.44 H new ATOM 0 HD23 LEU A 34 -22.695 12.215 -16.900 1.00 2.44 H new ATOM 517 N MET A 35 -19.518 11.913 -20.383 1.00 71.31 N ATOM 518 CA MET A 35 -18.094 11.721 -20.137 1.00 64.42 C ATOM 519 C MET A 35 -17.261 12.665 -20.998 1.00 10.51 C ATOM 520 O MET A 35 -16.074 12.431 -21.224 1.00 43.42 O ATOM 521 CB MET A 35 -17.696 10.271 -20.420 1.00 73.43 C ATOM 522 CG MET A 35 -16.684 9.714 -19.433 1.00 21.14 C ATOM 523 SD MET A 35 -15.436 8.682 -20.225 1.00 22.52 S ATOM 524 CE MET A 35 -16.464 7.417 -20.968 1.00 11.13 C ATOM 0 H MET A 35 -19.811 11.720 -21.341 1.00 71.31 H new ATOM 0 HA MET A 35 -17.899 11.946 -19.088 1.00 64.42 H new ATOM 0 HB2 MET A 35 -18.590 9.648 -20.402 1.00 73.43 H new ATOM 0 HB3 MET A 35 -17.283 10.206 -21.427 1.00 73.43 H new ATOM 0 HG2 MET A 35 -16.193 10.539 -18.917 1.00 21.14 H new ATOM 0 HG3 MET A 35 -17.205 9.129 -18.675 1.00 21.14 H new ATOM 0 HE1 MET A 35 -15.832 6.672 -21.451 1.00 11.13 H new ATOM 0 HE2 MET A 35 -17.065 6.937 -20.196 1.00 11.13 H new ATOM 0 HE3 MET A 35 -17.121 7.871 -21.710 1.00 11.13 H new ATOM 534 N VAL A 36 -17.891 13.734 -21.476 1.00 33.21 N ATOM 535 CA VAL A 36 -17.208 14.714 -22.311 1.00 53.42 C ATOM 536 C VAL A 36 -17.986 16.024 -22.369 1.00 53.12 C ATOM 537 O VAL A 36 -17.402 17.107 -22.351 1.00 72.34 O ATOM 538 CB VAL A 36 -17.005 14.187 -23.744 1.00 20.11 C ATOM 539 CG1 VAL A 36 -17.116 15.321 -24.751 1.00 42.04 C ATOM 540 CG2 VAL A 36 -15.662 13.483 -23.867 1.00 1.15 C ATOM 0 H VAL A 36 -18.874 13.943 -21.299 1.00 33.21 H new ATOM 0 HA VAL A 36 -16.234 14.893 -21.856 1.00 53.42 H new ATOM 0 HB VAL A 36 -17.790 13.463 -23.961 1.00 20.11 H new ATOM 0 HG11 VAL A 36 -16.970 14.929 -25.758 1.00 42.04 H new ATOM 0 HG12 VAL A 36 -18.104 15.776 -24.679 1.00 42.04 H new ATOM 0 HG13 VAL A 36 -16.354 16.071 -24.539 1.00 42.04 H new ATOM 0 HG21 VAL A 36 -15.535 13.117 -24.886 1.00 1.15 H new ATOM 0 HG22 VAL A 36 -14.861 14.183 -23.631 1.00 1.15 H new ATOM 0 HG23 VAL A 36 -15.626 12.643 -23.173 1.00 1.15 H new ATOM 550 N GLY A 37 -19.310 15.917 -22.438 1.00 40.41 N ATOM 551 CA GLY A 37 -20.147 17.101 -22.497 1.00 55.13 C ATOM 552 C GLY A 37 -20.064 17.934 -21.234 1.00 12.04 C ATOM 553 O GLY A 37 -20.803 17.700 -20.278 1.00 5.22 O ATOM 0 H GLY A 37 -19.817 15.032 -22.454 1.00 40.41 H new ATOM 0 HA2 GLY A 37 -19.849 17.710 -23.350 1.00 55.13 H new ATOM 0 HA3 GLY A 37 -21.182 16.802 -22.664 1.00 55.13 H new ATOM 557 N GLY A 38 -19.160 18.909 -21.228 1.00 13.24 N ATOM 558 CA GLY A 38 -18.998 19.764 -20.066 1.00 34.42 C ATOM 559 C GLY A 38 -17.975 19.223 -19.087 1.00 11.23 C ATOM 560 O GLY A 38 -18.034 19.514 -17.892 1.00 34.31 O ATOM 0 H GLY A 38 -18.537 19.122 -22.007 1.00 13.24 H new ATOM 0 HA2 GLY A 38 -18.695 20.759 -20.391 1.00 34.42 H new ATOM 0 HA3 GLY A 38 -19.958 19.872 -19.561 1.00 34.42 H new ATOM 564 N VAL A 39 -17.034 18.433 -19.593 1.00 21.31 N ATOM 565 CA VAL A 39 -15.993 17.849 -18.755 1.00 13.53 C ATOM 566 C VAL A 39 -14.622 17.982 -19.408 1.00 54.04 C ATOM 567 O VAL A 39 -13.748 18.687 -18.905 1.00 0.32 O ATOM 568 CB VAL A 39 -16.271 16.362 -18.468 1.00 74.10 C ATOM 569 CG1 VAL A 39 -15.218 15.793 -17.530 1.00 32.32 C ATOM 570 CG2 VAL A 39 -17.666 16.183 -17.888 1.00 54.31 C ATOM 0 H VAL A 39 -16.971 18.182 -20.580 1.00 21.31 H new ATOM 0 HA VAL A 39 -15.999 18.400 -17.814 1.00 13.53 H new ATOM 0 HB VAL A 39 -16.220 15.813 -19.408 1.00 74.10 H new ATOM 0 HG11 VAL A 39 -15.431 14.741 -17.339 1.00 32.32 H new ATOM 0 HG12 VAL A 39 -14.234 15.886 -17.989 1.00 32.32 H new ATOM 0 HG13 VAL A 39 -15.233 16.343 -16.589 1.00 32.32 H new ATOM 0 HG21 VAL A 39 -17.845 15.126 -17.691 1.00 54.31 H new ATOM 0 HG22 VAL A 39 -17.748 16.744 -16.957 1.00 54.31 H new ATOM 0 HG23 VAL A 39 -18.406 16.550 -18.599 1.00 54.31 H new ATOM 580 N VAL A 40 -14.441 17.299 -20.535 1.00 13.35 N ATOM 581 CA VAL A 40 -13.177 17.342 -21.259 1.00 61.43 C ATOM 582 C VAL A 40 -13.113 18.553 -22.182 1.00 50.34 C ATOM 583 O VAL A 40 -14.105 18.918 -22.814 1.00 13.23 O ATOM 584 CB VAL A 40 -12.964 16.064 -22.092 1.00 74.43 C ATOM 585 CG1 VAL A 40 -11.655 16.140 -22.863 1.00 31.22 C ATOM 586 CG2 VAL A 40 -12.995 14.834 -21.198 1.00 32.24 C ATOM 0 H VAL A 40 -15.154 16.710 -20.965 1.00 13.35 H new ATOM 0 HA VAL A 40 -12.387 17.416 -20.512 1.00 61.43 H new ATOM 0 HB VAL A 40 -13.778 15.982 -22.813 1.00 74.43 H new ATOM 0 HG11 VAL A 40 -11.522 15.228 -23.445 1.00 31.22 H new ATOM 0 HG12 VAL A 40 -11.677 16.999 -23.534 1.00 31.22 H new ATOM 0 HG13 VAL A 40 -10.826 16.247 -22.163 1.00 31.22 H new ATOM 0 HG21 VAL A 40 -12.843 13.940 -21.803 1.00 32.24 H new ATOM 0 HG22 VAL A 40 -12.203 14.906 -20.452 1.00 32.24 H new ATOM 0 HG23 VAL A 40 -13.961 14.773 -20.697 1.00 32.24 H new ATOM 596 N ILE A 41 -11.940 19.172 -22.256 1.00 43.44 N ATOM 597 CA ILE A 41 -11.746 20.342 -23.104 1.00 11.40 C ATOM 598 C ILE A 41 -10.423 20.262 -23.858 1.00 72.12 C ATOM 599 O ILE A 41 -10.397 20.276 -25.088 1.00 44.14 O ATOM 600 CB ILE A 41 -11.777 21.644 -22.282 1.00 11.41 C ATOM 601 CG1 ILE A 41 -13.101 21.763 -21.524 1.00 3.23 C ATOM 602 CG2 ILE A 41 -11.570 22.848 -23.189 1.00 1.33 C ATOM 603 CD1 ILE A 41 -12.979 21.464 -20.046 1.00 14.32 C ATOM 0 H ILE A 41 -11.109 18.883 -21.739 1.00 43.44 H new ATOM 0 HA ILE A 41 -12.569 20.353 -23.819 1.00 11.40 H new ATOM 0 HB ILE A 41 -10.965 21.617 -21.555 1.00 11.41 H new ATOM 0 HG12 ILE A 41 -13.494 22.772 -21.651 1.00 3.23 H new ATOM 0 HG13 ILE A 41 -13.826 21.080 -21.966 1.00 3.23 H new ATOM 0 HG21 ILE A 41 -11.594 23.761 -22.593 1.00 1.33 H new ATOM 0 HG22 ILE A 41 -10.604 22.766 -23.688 1.00 1.33 H new ATOM 0 HG23 ILE A 41 -12.363 22.881 -23.936 1.00 1.33 H new ATOM 0 HD11 ILE A 41 -13.955 21.568 -19.572 1.00 14.32 H new ATOM 0 HD12 ILE A 41 -12.616 20.445 -19.910 1.00 14.32 H new ATOM 0 HD13 ILE A 41 -12.278 22.163 -19.590 1.00 14.32 H new ATOM 615 N ALA A 42 -9.327 20.176 -23.112 1.00 31.43 N ATOM 616 CA ALA A 42 -8.001 20.089 -23.710 1.00 24.44 C ATOM 617 C ALA A 42 -7.752 21.251 -24.665 1.00 62.20 C ATOM 618 O ALA A 42 -6.816 21.220 -25.465 1.00 24.23 O ATOM 619 CB ALA A 42 -7.835 18.762 -24.435 1.00 63.41 C ATOM 0 H ALA A 42 -9.331 20.165 -22.092 1.00 31.43 H new ATOM 0 HA ALA A 42 -7.264 20.147 -22.909 1.00 24.44 H new ATOM 0 HB1 ALA A 42 -6.840 18.711 -24.877 1.00 63.41 H new ATOM 0 HB2 ALA A 42 -7.960 17.943 -23.727 1.00 63.41 H new ATOM 0 HB3 ALA A 42 -8.586 18.681 -25.221 1.00 63.41 H new TER 625 ALA A 42