USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 269 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 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0902 X(o=-0.09,f=-0.004) USER MOD Single : A 14 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.25) USER MOD Single : A 15 GLN : amide:sc= -6.6! K(o=-6.6!,f=-1.5) 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 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -164:sc= -0.205 (180deg=-0.653) USER MOD ----------------------------------------------------------------- ATOM 38 N PHE A 4 -1.076 -0.579 -2.110 1.00 73.34 N ATOM 39 CA PHE A 4 -2.497 -0.534 -1.785 1.00 10.31 C ATOM 40 C PHE A 4 -3.123 -1.922 -1.884 1.00 5.04 C ATOM 41 O PHE A 4 -4.087 -2.231 -1.183 1.00 62.25 O ATOM 42 CB PHE A 4 -3.225 0.434 -2.720 1.00 73.12 C ATOM 43 CG PHE A 4 -4.050 1.460 -1.997 1.00 42.21 C ATOM 44 CD1 PHE A 4 -3.442 2.514 -1.334 1.00 32.15 C ATOM 45 CD2 PHE A 4 -5.432 1.371 -1.981 1.00 34.05 C ATOM 46 CE1 PHE A 4 -4.198 3.460 -0.667 1.00 41.44 C ATOM 47 CE2 PHE A 4 -6.193 2.315 -1.317 1.00 33.44 C ATOM 48 CZ PHE A 4 -5.575 3.360 -0.658 1.00 73.22 C ATOM 0 HA PHE A 4 -2.598 -0.182 -0.758 1.00 10.31 H new ATOM 0 HB2 PHE A 4 -2.492 0.944 -3.345 1.00 73.12 H new ATOM 0 HB3 PHE A 4 -3.872 -0.135 -3.388 1.00 73.12 H new ATOM 0 HD1 PHE A 4 -2.365 2.597 -1.338 1.00 32.15 H new ATOM 0 HD2 PHE A 4 -5.921 0.555 -2.493 1.00 34.05 H new ATOM 0 HE1 PHE A 4 -3.712 4.276 -0.154 1.00 41.44 H new ATOM 0 HE2 PHE A 4 -7.270 2.236 -1.313 1.00 33.44 H new ATOM 0 HZ PHE A 4 -6.168 4.097 -0.137 1.00 73.22 H new ATOM 58 N ARG A 5 -2.567 -2.754 -2.758 1.00 43.03 N ATOM 59 CA ARG A 5 -3.070 -4.109 -2.951 1.00 13.53 C ATOM 60 C ARG A 5 -2.301 -5.103 -2.085 1.00 52.54 C ATOM 61 O ARG A 5 -2.305 -6.305 -2.350 1.00 70.22 O ATOM 62 CB ARG A 5 -2.966 -4.510 -4.423 1.00 64.01 C ATOM 63 CG ARG A 5 -4.239 -4.260 -5.215 1.00 30.35 C ATOM 64 CD ARG A 5 -4.622 -2.789 -5.203 1.00 53.34 C ATOM 65 NE ARG A 5 -5.458 -2.449 -4.055 1.00 31.52 N ATOM 66 CZ ARG A 5 -6.704 -2.882 -3.899 1.00 73.34 C ATOM 67 NH1 ARG A 5 -7.256 -3.668 -4.814 1.00 42.53 N ATOM 68 NH2 ARG A 5 -7.401 -2.530 -2.827 1.00 32.14 N ATOM 0 H ARG A 5 -1.768 -2.514 -3.344 1.00 43.03 H new ATOM 0 HA ARG A 5 -4.118 -4.127 -2.651 1.00 13.53 H new ATOM 0 HB2 ARG A 5 -2.147 -3.958 -4.884 1.00 64.01 H new ATOM 0 HB3 ARG A 5 -2.712 -5.568 -4.485 1.00 64.01 H new ATOM 0 HG2 ARG A 5 -4.100 -4.593 -6.244 1.00 30.35 H new ATOM 0 HG3 ARG A 5 -5.052 -4.852 -4.795 1.00 30.35 H new ATOM 0 HD2 ARG A 5 -3.718 -2.180 -5.186 1.00 53.34 H new ATOM 0 HD3 ARG A 5 -5.154 -2.546 -6.123 1.00 53.34 H new ATOM 0 HE ARG A 5 -5.063 -1.846 -3.333 1.00 31.52 H new ATOM 0 HH11 ARG A 5 -6.723 -3.941 -5.640 1.00 42.53 H new ATOM 0 HH12 ARG A 5 -8.213 -3.999 -4.692 1.00 42.53 H new ATOM 0 HH21 ARG A 5 -6.980 -1.926 -2.121 1.00 32.14 H new ATOM 0 HH22 ARG A 5 -8.358 -2.863 -2.709 1.00 32.14 H new ATOM 82 N HIS A 6 -1.642 -4.592 -1.050 1.00 44.14 N ATOM 83 CA HIS A 6 -0.868 -5.435 -0.146 1.00 4.31 C ATOM 84 C HIS A 6 -1.612 -5.647 1.169 1.00 4.32 C ATOM 85 O HIS A 6 -0.996 -5.790 2.226 1.00 70.44 O ATOM 86 CB HIS A 6 0.500 -4.808 0.124 1.00 5.30 C ATOM 87 CG HIS A 6 1.621 -5.801 0.142 1.00 4.10 C ATOM 88 ND1 HIS A 6 2.894 -5.507 -0.300 1.00 23.25 N ATOM 89 CD2 HIS A 6 1.656 -7.090 0.554 1.00 54.14 C ATOM 90 CE1 HIS A 6 3.663 -6.573 -0.162 1.00 35.10 C ATOM 91 NE2 HIS A 6 2.935 -7.547 0.354 1.00 20.21 N ATOM 0 H HIS A 6 -1.628 -3.599 -0.817 1.00 44.14 H new ATOM 0 HA HIS A 6 -0.727 -6.404 -0.624 1.00 4.31 H new ATOM 0 HB2 HIS A 6 0.703 -4.057 -0.639 1.00 5.30 H new ATOM 0 HB3 HIS A 6 0.470 -4.289 1.082 1.00 5.30 H new ATOM 0 HD2 HIS A 6 0.831 -7.654 0.964 1.00 54.14 H new ATOM 0 HE1 HIS A 6 4.708 -6.637 -0.426 1.00 35.10 H new ATOM 0 HE2 HIS A 6 3.269 -8.486 0.569 1.00 20.21 H new ATOM 99 N ASP A 7 -2.938 -5.664 1.097 1.00 61.14 N ATOM 100 CA ASP A 7 -3.766 -5.859 2.281 1.00 0.22 C ATOM 101 C ASP A 7 -4.160 -7.325 2.434 1.00 5.32 C ATOM 102 O ASP A 7 -4.861 -7.881 1.589 1.00 0.23 O ATOM 103 CB ASP A 7 -5.020 -4.987 2.202 1.00 40.31 C ATOM 104 CG ASP A 7 -5.219 -4.144 3.447 1.00 61.25 C ATOM 105 OD1 ASP A 7 -5.614 -2.967 3.310 1.00 62.12 O ATOM 106 OD2 ASP A 7 -4.980 -4.662 4.557 1.00 34.03 O ATOM 0 H ASP A 7 -3.463 -5.545 0.231 1.00 61.14 H new ATOM 0 HA ASP A 7 -3.183 -5.565 3.154 1.00 0.22 H new ATOM 0 HB2 ASP A 7 -4.951 -4.334 1.332 1.00 40.31 H new ATOM 0 HB3 ASP A 7 -5.893 -5.623 2.054 1.00 40.31 H new ATOM 111 N SER A 8 -3.702 -7.945 3.517 1.00 12.02 N ATOM 112 CA SER A 8 -4.002 -9.348 3.779 1.00 53.25 C ATOM 113 C SER A 8 -5.464 -9.525 4.179 1.00 62.32 C ATOM 114 O SER A 8 -5.958 -10.647 4.287 1.00 42.21 O ATOM 115 CB SER A 8 -3.090 -9.890 4.881 1.00 14.51 C ATOM 116 OG SER A 8 -2.032 -8.988 5.156 1.00 61.40 O ATOM 0 H SER A 8 -3.122 -7.498 4.227 1.00 12.02 H new ATOM 0 HA SER A 8 -3.824 -9.910 2.862 1.00 53.25 H new ATOM 0 HB2 SER A 8 -3.671 -10.061 5.787 1.00 14.51 H new ATOM 0 HB3 SER A 8 -2.681 -10.854 4.578 1.00 14.51 H new ATOM 0 HG SER A 8 -1.464 -9.356 5.865 1.00 61.40 H new ATOM 122 N GLY A 9 -6.151 -8.408 4.398 1.00 61.12 N ATOM 123 CA GLY A 9 -7.549 -8.461 4.784 1.00 42.41 C ATOM 124 C GLY A 9 -8.437 -7.652 3.859 1.00 45.11 C ATOM 125 O GLY A 9 -9.603 -7.988 3.656 1.00 73.43 O ATOM 0 H GLY A 9 -5.765 -7.468 4.315 1.00 61.12 H new ATOM 0 HA2 GLY A 9 -7.883 -9.499 4.787 1.00 42.41 H new ATOM 0 HA3 GLY A 9 -7.656 -8.089 5.803 1.00 42.41 H new ATOM 129 N TYR A 10 -7.884 -6.582 3.298 1.00 15.31 N ATOM 130 CA TYR A 10 -8.635 -5.720 2.393 1.00 74.02 C ATOM 131 C TYR A 10 -8.497 -6.194 0.949 1.00 34.34 C ATOM 132 O TYR A 10 -9.325 -5.873 0.098 1.00 53.13 O ATOM 133 CB TYR A 10 -8.153 -4.274 2.514 1.00 11.44 C ATOM 134 CG TYR A 10 -9.255 -3.252 2.350 1.00 14.20 C ATOM 135 CD1 TYR A 10 -9.209 -2.310 1.330 1.00 54.33 C ATOM 136 CD2 TYR A 10 -10.342 -3.228 3.215 1.00 12.32 C ATOM 137 CE1 TYR A 10 -10.214 -1.374 1.176 1.00 41.31 C ATOM 138 CE2 TYR A 10 -11.352 -2.296 3.068 1.00 21.51 C ATOM 139 CZ TYR A 10 -11.283 -1.372 2.047 1.00 11.52 C ATOM 140 OH TYR A 10 -12.286 -0.441 1.898 1.00 32.31 O ATOM 0 H TYR A 10 -6.919 -6.291 3.454 1.00 15.31 H new ATOM 0 HA TYR A 10 -9.687 -5.770 2.675 1.00 74.02 H new ATOM 0 HB2 TYR A 10 -7.684 -4.137 3.488 1.00 11.44 H new ATOM 0 HB3 TYR A 10 -7.385 -4.092 1.762 1.00 11.44 H new ATOM 0 HD1 TYR A 10 -8.374 -2.309 0.646 1.00 54.33 H new ATOM 0 HD2 TYR A 10 -10.399 -3.950 4.016 1.00 12.32 H new ATOM 0 HE1 TYR A 10 -10.162 -0.648 0.378 1.00 41.31 H new ATOM 0 HE2 TYR A 10 -12.190 -2.292 3.749 1.00 21.51 H new ATOM 0 HH TYR A 10 -12.964 -0.577 2.592 1.00 32.31 H new ATOM 150 N GLU A 11 -7.445 -6.962 0.684 1.00 42.45 N ATOM 151 CA GLU A 11 -7.198 -7.481 -0.657 1.00 4.54 C ATOM 152 C GLU A 11 -7.289 -9.004 -0.676 1.00 5.34 C ATOM 153 O GLU A 11 -6.392 -9.684 -1.175 1.00 32.24 O ATOM 154 CB GLU A 11 -5.821 -7.035 -1.154 1.00 51.43 C ATOM 155 CG GLU A 11 -5.741 -6.877 -2.663 1.00 55.44 C ATOM 156 CD GLU A 11 -5.429 -8.181 -3.371 1.00 0.11 C ATOM 157 OE1 GLU A 11 -6.200 -8.564 -4.275 1.00 73.04 O ATOM 158 OE2 GLU A 11 -4.414 -8.818 -3.020 1.00 72.34 O ATOM 0 H GLU A 11 -6.751 -7.238 1.378 1.00 42.45 H new ATOM 0 HA GLU A 11 -7.964 -7.080 -1.321 1.00 4.54 H new ATOM 0 HB2 GLU A 11 -5.564 -6.086 -0.684 1.00 51.43 H new ATOM 0 HB3 GLU A 11 -5.075 -7.762 -0.833 1.00 51.43 H new ATOM 0 HG2 GLU A 11 -6.688 -6.484 -3.034 1.00 55.44 H new ATOM 0 HG3 GLU A 11 -4.973 -6.143 -2.907 1.00 55.44 H new ATOM 165 N VAL A 12 -8.378 -9.532 -0.128 1.00 31.54 N ATOM 166 CA VAL A 12 -8.588 -10.975 -0.081 1.00 43.44 C ATOM 167 C VAL A 12 -9.897 -11.362 -0.759 1.00 52.44 C ATOM 168 O VAL A 12 -10.419 -10.622 -1.594 1.00 41.14 O ATOM 169 CB VAL A 12 -8.600 -11.494 1.369 1.00 50.24 C ATOM 170 CG1 VAL A 12 -7.810 -12.789 1.479 1.00 41.10 C ATOM 171 CG2 VAL A 12 -8.047 -10.440 2.316 1.00 12.02 C ATOM 0 H VAL A 12 -9.129 -8.983 0.290 1.00 31.54 H new ATOM 0 HA VAL A 12 -7.756 -11.433 -0.616 1.00 43.44 H new ATOM 0 HB VAL A 12 -9.631 -11.701 1.654 1.00 50.24 H new ATOM 0 HG11 VAL A 12 -7.830 -13.141 2.511 1.00 41.10 H new ATOM 0 HG12 VAL A 12 -8.255 -13.543 0.830 1.00 41.10 H new ATOM 0 HG13 VAL A 12 -6.778 -12.613 1.175 1.00 41.10 H new ATOM 0 HG21 VAL A 12 -8.063 -10.823 3.336 1.00 12.02 H new ATOM 0 HG22 VAL A 12 -7.022 -10.200 2.034 1.00 12.02 H new ATOM 0 HG23 VAL A 12 -8.660 -9.540 2.257 1.00 12.02 H new ATOM 181 N HIS A 13 -10.425 -12.526 -0.394 1.00 43.15 N ATOM 182 CA HIS A 13 -11.675 -13.012 -0.967 1.00 13.41 C ATOM 183 C HIS A 13 -12.746 -11.926 -0.933 1.00 13.52 C ATOM 184 O HIS A 13 -13.685 -11.939 -1.730 1.00 65.23 O ATOM 185 CB HIS A 13 -12.161 -14.248 -0.209 1.00 54.53 C ATOM 186 CG HIS A 13 -13.616 -14.200 0.144 1.00 51.12 C ATOM 187 ND1 HIS A 13 -14.605 -14.713 -0.669 1.00 30.04 N ATOM 188 CD2 HIS A 13 -14.247 -13.697 1.231 1.00 72.33 C ATOM 189 CE1 HIS A 13 -15.782 -14.527 -0.098 1.00 4.43 C ATOM 190 NE2 HIS A 13 -15.592 -13.913 1.056 1.00 12.43 N ATOM 0 H HIS A 13 -10.007 -13.150 0.296 1.00 43.15 H new ATOM 0 HA HIS A 13 -11.489 -13.282 -2.007 1.00 13.41 H new ATOM 0 HB2 HIS A 13 -11.972 -15.134 -0.815 1.00 54.53 H new ATOM 0 HB3 HIS A 13 -11.577 -14.357 0.705 1.00 54.53 H new ATOM 0 HD2 HIS A 13 -13.780 -13.216 2.078 1.00 72.33 H new ATOM 0 HE1 HIS A 13 -16.737 -14.826 -0.505 1.00 4.43 H new ATOM 0 HE2 HIS A 13 -16.326 -13.643 1.711 1.00 12.43 H new ATOM 198 N HIS A 14 -12.600 -10.986 -0.004 1.00 33.03 N ATOM 199 CA HIS A 14 -13.556 -9.892 0.134 1.00 25.43 C ATOM 200 C HIS A 14 -13.924 -9.317 -1.230 1.00 24.10 C ATOM 201 O HIS A 14 -15.075 -8.954 -1.470 1.00 3.11 O ATOM 202 CB HIS A 14 -12.978 -8.792 1.026 1.00 72.53 C ATOM 203 CG HIS A 14 -13.985 -8.181 1.951 1.00 20.52 C ATOM 204 ND1 HIS A 14 -15.344 -8.224 1.719 1.00 45.50 N ATOM 205 CD2 HIS A 14 -13.825 -7.513 3.117 1.00 45.41 C ATOM 206 CE1 HIS A 14 -15.975 -7.605 2.701 1.00 71.31 C ATOM 207 NE2 HIS A 14 -15.076 -7.165 3.563 1.00 70.14 N ATOM 0 H HIS A 14 -11.830 -10.960 0.664 1.00 33.03 H new ATOM 0 HA HIS A 14 -14.460 -10.288 0.597 1.00 25.43 H new ATOM 0 HB2 HIS A 14 -12.160 -9.206 1.615 1.00 72.53 H new ATOM 0 HB3 HIS A 14 -12.554 -8.010 0.396 1.00 72.53 H new ATOM 0 HD2 HIS A 14 -12.887 -7.294 3.606 1.00 45.41 H new ATOM 0 HE1 HIS A 14 -17.044 -7.480 2.785 1.00 71.31 H new ATOM 0 HE2 HIS A 14 -15.278 -6.651 4.420 1.00 70.14 H new ATOM 215 N GLN A 15 -12.938 -9.237 -2.118 1.00 73.04 N ATOM 216 CA GLN A 15 -13.159 -8.704 -3.458 1.00 34.34 C ATOM 217 C GLN A 15 -12.137 -9.263 -4.442 1.00 20.45 C ATOM 218 O GLN A 15 -10.934 -9.045 -4.295 1.00 32.12 O ATOM 219 CB GLN A 15 -13.086 -7.177 -3.440 1.00 43.53 C ATOM 220 CG GLN A 15 -12.257 -6.620 -2.293 1.00 75.42 C ATOM 221 CD GLN A 15 -10.807 -7.058 -2.355 1.00 13.02 C ATOM 222 OE1 GLN A 15 -10.049 -6.615 -3.218 1.00 53.01 O ATOM 223 NE2 GLN A 15 -10.413 -7.932 -1.436 1.00 71.44 N ATOM 0 H GLN A 15 -11.980 -9.534 -1.934 1.00 73.04 H new ATOM 0 HA GLN A 15 -14.153 -9.009 -3.784 1.00 34.34 H new ATOM 0 HB2 GLN A 15 -12.664 -6.831 -4.384 1.00 43.53 H new ATOM 0 HB3 GLN A 15 -14.097 -6.774 -3.376 1.00 43.53 H new ATOM 0 HG2 GLN A 15 -12.305 -5.531 -2.310 1.00 75.42 H new ATOM 0 HG3 GLN A 15 -12.690 -6.943 -1.346 1.00 75.42 H new ATOM 0 HE21 GLN A 15 -11.075 -8.273 -0.739 1.00 71.44 H new ATOM 0 HE22 GLN A 15 -9.448 -8.262 -1.427 1.00 71.44 H new ATOM 232 N LYS A 16 -12.623 -9.986 -5.445 1.00 22.31 N ATOM 233 CA LYS A 16 -11.752 -10.577 -6.455 1.00 13.23 C ATOM 234 C LYS A 16 -12.295 -10.323 -7.857 1.00 54.52 C ATOM 235 O LYS A 16 -11.717 -10.770 -8.849 1.00 11.05 O ATOM 236 CB LYS A 16 -11.609 -12.082 -6.217 1.00 1.21 C ATOM 237 CG LYS A 16 -10.473 -12.716 -7.002 1.00 35.04 C ATOM 238 CD LYS A 16 -10.111 -14.085 -6.450 1.00 53.15 C ATOM 239 CE LYS A 16 -9.092 -14.789 -7.333 1.00 75.42 C ATOM 240 NZ LYS A 16 -8.799 -16.167 -6.850 1.00 64.02 N ATOM 0 H LYS A 16 -13.616 -10.177 -5.581 1.00 22.31 H new ATOM 0 HA LYS A 16 -10.772 -10.108 -6.373 1.00 13.23 H new ATOM 0 HB2 LYS A 16 -11.448 -12.260 -5.154 1.00 1.21 H new ATOM 0 HB3 LYS A 16 -12.544 -12.574 -6.485 1.00 1.21 H new ATOM 0 HG2 LYS A 16 -10.761 -12.809 -8.049 1.00 35.04 H new ATOM 0 HG3 LYS A 16 -9.599 -12.066 -6.968 1.00 35.04 H new ATOM 0 HD2 LYS A 16 -9.709 -13.978 -5.443 1.00 53.15 H new ATOM 0 HD3 LYS A 16 -11.010 -14.696 -6.371 1.00 53.15 H new ATOM 0 HE2 LYS A 16 -9.467 -14.834 -8.355 1.00 75.42 H new ATOM 0 HE3 LYS A 16 -8.170 -14.209 -7.357 1.00 75.42 H new ATOM 0 HZ1 LYS A 16 -8.100 -16.614 -7.478 1.00 64.02 H new ATOM 0 HZ2 LYS A 16 -8.417 -16.122 -5.884 1.00 64.02 H new ATOM 0 HZ3 LYS A 16 -9.674 -16.729 -6.851 1.00 64.02 H new ATOM 254 N LEU A 17 -13.408 -9.601 -7.934 1.00 11.11 N ATOM 255 CA LEU A 17 -14.029 -9.285 -9.216 1.00 25.40 C ATOM 256 C LEU A 17 -14.131 -7.777 -9.415 1.00 3.42 C ATOM 257 O LEU A 17 -14.363 -7.301 -10.526 1.00 40.51 O ATOM 258 CB LEU A 17 -15.419 -9.918 -9.301 1.00 43.15 C ATOM 259 CG LEU A 17 -15.461 -11.396 -9.689 1.00 62.35 C ATOM 260 CD1 LEU A 17 -14.828 -11.608 -11.056 1.00 53.33 C ATOM 261 CD2 LEU A 17 -14.759 -12.244 -8.638 1.00 50.22 C ATOM 0 H LEU A 17 -13.899 -9.223 -7.124 1.00 11.11 H new ATOM 0 HA LEU A 17 -13.401 -9.695 -10.007 1.00 25.40 H new ATOM 0 HB2 LEU A 17 -15.908 -9.803 -8.334 1.00 43.15 H new ATOM 0 HB3 LEU A 17 -16.008 -9.356 -10.025 1.00 43.15 H new ATOM 0 HG LEU A 17 -16.504 -11.708 -9.742 1.00 62.35 H new ATOM 0 HD11 LEU A 17 -14.867 -12.666 -11.315 1.00 53.33 H new ATOM 0 HD12 LEU A 17 -15.373 -11.031 -11.803 1.00 53.33 H new ATOM 0 HD13 LEU A 17 -13.789 -11.279 -11.031 1.00 53.33 H new ATOM 0 HD21 LEU A 17 -14.799 -13.293 -8.931 1.00 50.22 H new ATOM 0 HD22 LEU A 17 -13.719 -11.930 -8.553 1.00 50.22 H new ATOM 0 HD23 LEU A 17 -15.256 -12.117 -7.676 1.00 50.22 H new ATOM 273 N VAL A 18 -13.954 -7.029 -8.330 1.00 44.53 N ATOM 274 CA VAL A 18 -14.022 -5.573 -8.386 1.00 34.22 C ATOM 275 C VAL A 18 -12.687 -4.976 -8.816 1.00 13.13 C ATOM 276 O VAL A 18 -12.529 -3.756 -8.869 1.00 71.12 O ATOM 277 CB VAL A 18 -14.424 -4.978 -7.023 1.00 43.11 C ATOM 278 CG1 VAL A 18 -13.242 -4.993 -6.065 1.00 53.51 C ATOM 279 CG2 VAL A 18 -14.962 -3.566 -7.197 1.00 14.11 C ATOM 0 H VAL A 18 -13.763 -7.407 -7.402 1.00 44.53 H new ATOM 0 HA VAL A 18 -14.783 -5.319 -9.124 1.00 34.22 H new ATOM 0 HB VAL A 18 -15.215 -5.594 -6.596 1.00 43.11 H new ATOM 0 HG11 VAL A 18 -13.544 -4.569 -5.107 1.00 53.51 H new ATOM 0 HG12 VAL A 18 -12.906 -6.019 -5.918 1.00 53.51 H new ATOM 0 HG13 VAL A 18 -12.428 -4.401 -6.483 1.00 53.51 H new ATOM 0 HG21 VAL A 18 -15.241 -3.161 -6.224 1.00 14.11 H new ATOM 0 HG22 VAL A 18 -14.193 -2.936 -7.645 1.00 14.11 H new ATOM 0 HG23 VAL A 18 -15.837 -3.588 -7.846 1.00 14.11 H new ATOM 289 N PHE A 19 -11.728 -5.843 -9.122 1.00 75.51 N ATOM 290 CA PHE A 19 -10.405 -5.402 -9.547 1.00 53.04 C ATOM 291 C PHE A 19 -10.343 -5.253 -11.065 1.00 32.42 C ATOM 292 O PHE A 19 -9.262 -5.206 -11.651 1.00 62.35 O ATOM 293 CB PHE A 19 -9.338 -6.392 -9.077 1.00 32.35 C ATOM 294 CG PHE A 19 -7.967 -5.789 -8.969 1.00 22.34 C ATOM 295 CD1 PHE A 19 -7.765 -4.616 -8.260 1.00 32.14 C ATOM 296 CD2 PHE A 19 -6.879 -6.395 -9.577 1.00 32.54 C ATOM 297 CE1 PHE A 19 -6.504 -4.059 -8.158 1.00 14.31 C ATOM 298 CE2 PHE A 19 -5.616 -5.843 -9.478 1.00 72.10 C ATOM 299 CZ PHE A 19 -5.429 -4.673 -8.769 1.00 3.31 C ATOM 0 H PHE A 19 -11.842 -6.856 -9.084 1.00 75.51 H new ATOM 0 HA PHE A 19 -10.212 -4.429 -9.095 1.00 53.04 H new ATOM 0 HB2 PHE A 19 -9.628 -6.792 -8.105 1.00 32.35 H new ATOM 0 HB3 PHE A 19 -9.303 -7.232 -9.770 1.00 32.35 H new ATOM 0 HD1 PHE A 19 -8.603 -4.131 -7.781 1.00 32.14 H new ATOM 0 HD2 PHE A 19 -7.020 -7.309 -10.135 1.00 32.54 H new ATOM 0 HE1 PHE A 19 -6.360 -3.145 -7.601 1.00 14.31 H new ATOM 0 HE2 PHE A 19 -4.776 -6.326 -9.955 1.00 72.10 H new ATOM 0 HZ PHE A 19 -4.443 -4.239 -8.693 1.00 3.31 H new ATOM 309 N PHE A 20 -11.511 -5.181 -11.694 1.00 52.24 N ATOM 310 CA PHE A 20 -11.591 -5.039 -13.144 1.00 20.24 C ATOM 311 C PHE A 20 -12.875 -4.322 -13.550 1.00 41.12 C ATOM 312 O PHE A 20 -13.311 -4.410 -14.697 1.00 71.04 O ATOM 313 CB PHE A 20 -11.526 -6.412 -13.816 1.00 23.22 C ATOM 314 CG PHE A 20 -10.253 -6.647 -14.578 1.00 40.40 C ATOM 315 CD1 PHE A 20 -9.957 -5.898 -15.705 1.00 51.45 C ATOM 316 CD2 PHE A 20 -9.353 -7.616 -14.167 1.00 64.43 C ATOM 317 CE1 PHE A 20 -8.787 -6.110 -16.409 1.00 64.51 C ATOM 318 CE2 PHE A 20 -8.180 -7.833 -14.867 1.00 34.54 C ATOM 319 CZ PHE A 20 -7.898 -7.081 -15.989 1.00 44.55 C ATOM 0 H PHE A 20 -12.415 -5.219 -11.223 1.00 52.24 H new ATOM 0 HA PHE A 20 -10.742 -4.440 -13.473 1.00 20.24 H new ATOM 0 HB2 PHE A 20 -11.633 -7.185 -13.055 1.00 23.22 H new ATOM 0 HB3 PHE A 20 -12.371 -6.515 -14.496 1.00 23.22 H new ATOM 0 HD1 PHE A 20 -10.649 -5.139 -16.038 1.00 51.45 H new ATOM 0 HD2 PHE A 20 -9.569 -8.209 -13.290 1.00 64.43 H new ATOM 0 HE1 PHE A 20 -8.568 -5.518 -17.285 1.00 64.51 H new ATOM 0 HE2 PHE A 20 -7.485 -8.591 -14.536 1.00 34.54 H new ATOM 0 HZ PHE A 20 -6.984 -7.251 -16.538 1.00 44.55 H new ATOM 329 N ALA A 21 -13.475 -3.612 -12.600 1.00 73.33 N ATOM 330 CA ALA A 21 -14.708 -2.879 -12.859 1.00 0.43 C ATOM 331 C ALA A 21 -14.522 -1.386 -12.606 1.00 62.32 C ATOM 332 O ALA A 21 -15.173 -0.555 -13.238 1.00 31.20 O ATOM 333 CB ALA A 21 -15.838 -3.425 -11.998 1.00 44.30 C ATOM 0 H ALA A 21 -13.127 -3.529 -11.645 1.00 73.33 H new ATOM 0 HA ALA A 21 -14.968 -3.014 -13.909 1.00 0.43 H new ATOM 0 HB1 ALA A 21 -16.753 -2.868 -12.202 1.00 44.30 H new ATOM 0 HB2 ALA A 21 -15.995 -4.478 -12.229 1.00 44.30 H new ATOM 0 HB3 ALA A 21 -15.576 -3.320 -10.945 1.00 44.30 H new ATOM 339 N GLU A 22 -13.629 -1.055 -11.678 1.00 55.54 N ATOM 340 CA GLU A 22 -13.360 0.339 -11.342 1.00 61.52 C ATOM 341 C GLU A 22 -12.392 0.962 -12.343 1.00 43.23 C ATOM 342 O GLU A 22 -11.329 1.459 -11.969 1.00 14.14 O ATOM 343 CB GLU A 22 -12.786 0.443 -9.928 1.00 1.23 C ATOM 344 CG GLU A 22 -13.175 1.723 -9.206 1.00 62.42 C ATOM 345 CD GLU A 22 -14.676 1.925 -9.146 1.00 53.33 C ATOM 346 OE1 GLU A 22 -15.118 3.093 -9.178 1.00 74.14 O ATOM 347 OE2 GLU A 22 -15.409 0.917 -9.067 1.00 0.30 O ATOM 0 H GLU A 22 -13.081 -1.731 -11.147 1.00 55.54 H new ATOM 0 HA GLU A 22 -14.302 0.886 -11.385 1.00 61.52 H new ATOM 0 HB2 GLU A 22 -13.126 -0.412 -9.343 1.00 1.23 H new ATOM 0 HB3 GLU A 22 -11.699 0.381 -9.981 1.00 1.23 H new ATOM 0 HG2 GLU A 22 -12.774 1.700 -8.193 1.00 62.42 H new ATOM 0 HG3 GLU A 22 -12.717 2.574 -9.711 1.00 62.42 H new ATOM 354 N ASP A 23 -12.766 0.932 -13.617 1.00 74.44 N ATOM 355 CA ASP A 23 -11.932 1.494 -14.673 1.00 74.03 C ATOM 356 C ASP A 23 -12.656 1.456 -16.016 1.00 31.23 C ATOM 357 O ASP A 23 -12.032 1.300 -17.065 1.00 61.22 O ATOM 358 CB ASP A 23 -10.611 0.730 -14.770 1.00 70.13 C ATOM 359 CG ASP A 23 -9.607 1.422 -15.671 1.00 71.45 C ATOM 360 OD1 ASP A 23 -9.385 2.637 -15.490 1.00 13.30 O ATOM 361 OD2 ASP A 23 -9.043 0.747 -16.558 1.00 4.14 O ATOM 0 H ASP A 23 -13.642 0.524 -13.944 1.00 74.44 H new ATOM 0 HA ASP A 23 -11.724 2.534 -14.422 1.00 74.03 H new ATOM 0 HB2 ASP A 23 -10.184 0.620 -13.773 1.00 70.13 H new ATOM 0 HB3 ASP A 23 -10.802 -0.274 -15.148 1.00 70.13 H new ATOM 366 N VAL A 24 -13.977 1.598 -15.974 1.00 51.24 N ATOM 367 CA VAL A 24 -14.786 1.580 -17.187 1.00 73.01 C ATOM 368 C VAL A 24 -15.495 2.914 -17.395 1.00 31.32 C ATOM 369 O VAL A 24 -15.816 3.289 -18.522 1.00 0.25 O ATOM 370 CB VAL A 24 -15.837 0.454 -17.144 1.00 44.22 C ATOM 371 CG1 VAL A 24 -16.683 0.465 -18.408 1.00 12.11 C ATOM 372 CG2 VAL A 24 -15.162 -0.896 -16.956 1.00 70.31 C ATOM 0 H VAL A 24 -14.509 1.727 -15.114 1.00 51.24 H new ATOM 0 HA VAL A 24 -14.105 1.400 -18.019 1.00 73.01 H new ATOM 0 HB VAL A 24 -16.496 0.627 -16.293 1.00 44.22 H new ATOM 0 HG11 VAL A 24 -17.420 -0.337 -18.360 1.00 12.11 H new ATOM 0 HG12 VAL A 24 -17.195 1.423 -18.495 1.00 12.11 H new ATOM 0 HG13 VAL A 24 -16.041 0.317 -19.277 1.00 12.11 H new ATOM 0 HG21 VAL A 24 -15.918 -1.680 -16.928 1.00 70.31 H new ATOM 0 HG22 VAL A 24 -14.479 -1.080 -17.786 1.00 70.31 H new ATOM 0 HG23 VAL A 24 -14.604 -0.896 -16.020 1.00 70.31 H new ATOM 382 N GLY A 25 -15.736 3.627 -16.299 1.00 33.33 N ATOM 383 CA GLY A 25 -16.405 4.912 -16.382 1.00 75.30 C ATOM 384 C GLY A 25 -15.704 5.871 -17.323 1.00 61.21 C ATOM 385 O GLY A 25 -16.352 6.638 -18.035 1.00 62.33 O ATOM 0 H GLY A 25 -15.480 3.338 -15.355 1.00 33.33 H new ATOM 0 HA2 GLY A 25 -17.431 4.763 -16.718 1.00 75.30 H new ATOM 0 HA3 GLY A 25 -16.457 5.356 -15.388 1.00 75.30 H new ATOM 389 N SER A 26 -14.375 5.829 -17.326 1.00 13.45 N ATOM 390 CA SER A 26 -13.585 6.706 -18.182 1.00 61.42 C ATOM 391 C SER A 26 -13.268 6.025 -19.510 1.00 63.03 C ATOM 392 O SER A 26 -12.114 5.978 -19.936 1.00 75.01 O ATOM 393 CB SER A 26 -12.287 7.106 -17.479 1.00 2.24 C ATOM 394 OG SER A 26 -12.544 7.598 -16.175 1.00 32.13 O ATOM 0 H SER A 26 -13.823 5.197 -16.745 1.00 13.45 H new ATOM 0 HA SER A 26 -14.172 7.602 -18.383 1.00 61.42 H new ATOM 0 HB2 SER A 26 -11.621 6.245 -17.422 1.00 2.24 H new ATOM 0 HB3 SER A 26 -11.773 7.869 -18.064 1.00 2.24 H new ATOM 0 HG SER A 26 -11.698 7.845 -15.746 1.00 32.13 H new ATOM 414 N LYS A 28 -14.230 6.970 -22.557 1.00 21.32 N ATOM 415 CA LYS A 28 -13.841 7.985 -23.528 1.00 53.23 C ATOM 416 C LYS A 28 -14.187 7.542 -24.946 1.00 54.33 C ATOM 417 O LYS A 28 -13.822 6.447 -25.371 1.00 53.14 O ATOM 418 CB LYS A 28 -12.342 8.273 -23.424 1.00 61.21 C ATOM 419 CG LYS A 28 -12.023 9.705 -23.032 1.00 51.11 C ATOM 420 CD LYS A 28 -12.159 10.650 -24.214 1.00 43.21 C ATOM 421 CE LYS A 28 -12.187 12.103 -23.766 1.00 10.34 C ATOM 422 NZ LYS A 28 -13.328 12.847 -24.368 1.00 1.45 N ATOM 0 HA LYS A 28 -14.396 8.896 -23.305 1.00 53.23 H new ATOM 0 HB2 LYS A 28 -11.901 7.598 -22.691 1.00 61.21 H new ATOM 0 HB3 LYS A 28 -11.871 8.054 -24.382 1.00 61.21 H new ATOM 0 HG2 LYS A 28 -12.693 10.022 -22.233 1.00 51.11 H new ATOM 0 HG3 LYS A 28 -11.008 9.758 -22.638 1.00 51.11 H new ATOM 0 HD2 LYS A 28 -11.327 10.496 -24.902 1.00 43.21 H new ATOM 0 HD3 LYS A 28 -13.073 10.420 -24.762 1.00 43.21 H new ATOM 0 HE2 LYS A 28 -12.258 12.147 -22.679 1.00 10.34 H new ATOM 0 HE3 LYS A 28 -11.251 12.587 -24.044 1.00 10.34 H new ATOM 0 HZ1 LYS A 28 -13.312 13.833 -24.038 1.00 1.45 H new ATOM 0 HZ2 LYS A 28 -13.247 12.827 -25.405 1.00 1.45 H new ATOM 0 HZ3 LYS A 28 -14.223 12.401 -24.082 1.00 1.45 H new ATOM 436 N GLY A 29 -14.893 8.402 -25.675 1.00 12.23 N ATOM 437 CA GLY A 29 -15.275 8.081 -27.038 1.00 11.55 C ATOM 438 C GLY A 29 -16.636 7.418 -27.117 1.00 42.35 C ATOM 439 O GLY A 29 -17.224 7.322 -28.194 1.00 32.50 O ATOM 0 H GLY A 29 -15.207 9.315 -25.346 1.00 12.23 H new ATOM 0 HA2 GLY A 29 -15.283 8.993 -27.634 1.00 11.55 H new ATOM 0 HA3 GLY A 29 -14.526 7.421 -27.476 1.00 11.55 H new ATOM 443 N ALA A 30 -17.136 6.959 -25.975 1.00 74.24 N ATOM 444 CA ALA A 30 -18.436 6.302 -25.921 1.00 33.43 C ATOM 445 C ALA A 30 -19.285 6.857 -24.782 1.00 40.31 C ATOM 446 O ALA A 30 -20.304 6.273 -24.413 1.00 22.34 O ATOM 447 CB ALA A 30 -18.261 4.798 -25.766 1.00 14.10 C ATOM 0 H ALA A 30 -16.661 7.030 -25.075 1.00 74.24 H new ATOM 0 HA ALA A 30 -18.956 6.502 -26.858 1.00 33.43 H new ATOM 0 HB1 ALA A 30 -19.240 4.320 -25.727 1.00 14.10 H new ATOM 0 HB2 ALA A 30 -17.700 4.408 -26.615 1.00 14.10 H new ATOM 0 HB3 ALA A 30 -17.718 4.588 -24.845 1.00 14.10 H new ATOM 453 N ILE A 31 -18.858 7.988 -24.230 1.00 33.12 N ATOM 454 CA ILE A 31 -19.580 8.622 -23.133 1.00 70.24 C ATOM 455 C ILE A 31 -19.592 10.139 -23.287 1.00 63.13 C ATOM 456 O ILE A 31 -19.546 10.873 -22.300 1.00 11.30 O ATOM 457 CB ILE A 31 -18.963 8.260 -21.770 1.00 2.25 C ATOM 458 CG1 ILE A 31 -18.258 6.904 -21.848 1.00 12.35 C ATOM 459 CG2 ILE A 31 -20.035 8.245 -20.690 1.00 70.33 C ATOM 460 CD1 ILE A 31 -17.965 6.297 -20.494 1.00 33.35 C ATOM 0 H ILE A 31 -18.017 8.484 -24.524 1.00 33.12 H new ATOM 0 HA ILE A 31 -20.603 8.248 -23.170 1.00 70.24 H new ATOM 0 HB ILE A 31 -18.224 9.018 -21.510 1.00 2.25 H new ATOM 0 HG12 ILE A 31 -18.878 6.214 -22.420 1.00 12.35 H new ATOM 0 HG13 ILE A 31 -17.322 7.021 -22.395 1.00 12.35 H new ATOM 0 HG21 ILE A 31 -19.583 7.987 -19.732 1.00 70.33 H new ATOM 0 HG22 ILE A 31 -20.495 9.231 -20.621 1.00 70.33 H new ATOM 0 HG23 ILE A 31 -20.796 7.506 -20.943 1.00 70.33 H new ATOM 0 HD11 ILE A 31 -17.465 5.338 -20.626 1.00 33.35 H new ATOM 0 HD12 ILE A 31 -17.320 6.968 -19.927 1.00 33.35 H new ATOM 0 HD13 ILE A 31 -18.899 6.148 -19.952 1.00 33.35 H new ATOM 472 N ILE A 32 -19.655 10.601 -24.531 1.00 43.34 N ATOM 473 CA ILE A 32 -19.676 12.031 -24.814 1.00 45.02 C ATOM 474 C ILE A 32 -20.999 12.657 -24.387 1.00 22.33 C ATOM 475 O ILE A 32 -21.088 13.866 -24.180 1.00 43.35 O ATOM 476 CB ILE A 32 -19.448 12.312 -26.311 1.00 44.22 C ATOM 477 CG1 ILE A 32 -19.563 13.811 -26.594 1.00 44.42 C ATOM 478 CG2 ILE A 32 -20.444 11.530 -27.155 1.00 4.44 C ATOM 479 CD1 ILE A 32 -18.635 14.658 -25.752 1.00 1.35 C ATOM 0 H ILE A 32 -19.692 10.006 -25.359 1.00 43.34 H new ATOM 0 HA ILE A 32 -18.864 12.478 -24.241 1.00 45.02 H new ATOM 0 HB ILE A 32 -18.442 11.987 -26.577 1.00 44.22 H new ATOM 0 HG12 ILE A 32 -19.350 13.991 -27.648 1.00 44.42 H new ATOM 0 HG13 ILE A 32 -20.591 14.128 -26.418 1.00 44.42 H new ATOM 0 HG21 ILE A 32 -20.270 11.739 -28.210 1.00 4.44 H new ATOM 0 HG22 ILE A 32 -20.318 10.463 -26.971 1.00 4.44 H new ATOM 0 HG23 ILE A 32 -21.458 11.827 -26.889 1.00 4.44 H new ATOM 0 HD11 ILE A 32 -18.771 15.709 -26.006 1.00 1.35 H new ATOM 0 HD12 ILE A 32 -18.862 14.508 -24.697 1.00 1.35 H new ATOM 0 HD13 ILE A 32 -17.602 14.368 -25.946 1.00 1.35 H new ATOM 491 N GLY A 33 -22.026 11.823 -24.254 1.00 30.13 N ATOM 492 CA GLY A 33 -23.331 12.312 -23.849 1.00 51.25 C ATOM 493 C GLY A 33 -23.664 11.959 -22.413 1.00 64.24 C ATOM 494 O GLY A 33 -24.557 12.555 -21.810 1.00 43.11 O ATOM 0 H GLY A 33 -21.977 10.818 -24.419 1.00 30.13 H new ATOM 0 HA2 GLY A 33 -23.363 13.395 -23.970 1.00 51.25 H new ATOM 0 HA3 GLY A 33 -24.092 11.895 -24.508 1.00 51.25 H new ATOM 498 N LEU A 34 -22.946 10.985 -21.864 1.00 45.51 N ATOM 499 CA LEU A 34 -23.170 10.552 -20.489 1.00 62.45 C ATOM 500 C LEU A 34 -22.133 11.160 -19.550 1.00 55.33 C ATOM 501 O LEU A 34 -22.359 11.264 -18.345 1.00 51.51 O ATOM 502 CB LEU A 34 -23.121 9.025 -20.401 1.00 43.22 C ATOM 503 CG LEU A 34 -24.446 8.328 -20.095 1.00 35.42 C ATOM 504 CD1 LEU A 34 -24.894 8.633 -18.674 1.00 34.11 C ATOM 505 CD2 LEU A 34 -25.514 8.748 -21.094 1.00 41.35 C ATOM 0 H LEU A 34 -22.204 10.481 -22.350 1.00 45.51 H new ATOM 0 HA LEU A 34 -24.157 10.897 -20.182 1.00 62.45 H new ATOM 0 HB2 LEU A 34 -22.740 8.639 -21.346 1.00 43.22 H new ATOM 0 HB3 LEU A 34 -22.401 8.748 -19.630 1.00 43.22 H new ATOM 0 HG LEU A 34 -24.297 7.252 -20.184 1.00 35.42 H new ATOM 0 HD11 LEU A 34 -25.839 8.128 -18.474 1.00 34.11 H new ATOM 0 HD12 LEU A 34 -24.139 8.281 -17.971 1.00 34.11 H new ATOM 0 HD13 LEU A 34 -25.025 9.709 -18.557 1.00 34.11 H new ATOM 0 HD21 LEU A 34 -26.450 8.241 -20.860 1.00 41.35 H new ATOM 0 HD22 LEU A 34 -25.661 9.827 -21.038 1.00 41.35 H new ATOM 0 HD23 LEU A 34 -25.197 8.477 -22.101 1.00 41.35 H new ATOM 517 N MET A 35 -20.998 11.563 -20.111 1.00 61.55 N ATOM 518 CA MET A 35 -19.928 12.164 -19.324 1.00 51.41 C ATOM 519 C MET A 35 -19.596 13.562 -19.837 1.00 64.13 C ATOM 520 O MET A 35 -18.510 14.085 -19.585 1.00 61.41 O ATOM 521 CB MET A 35 -18.678 11.283 -19.364 1.00 73.13 C ATOM 522 CG MET A 35 -17.943 11.210 -18.036 1.00 1.40 C ATOM 523 SD MET A 35 -16.155 11.090 -18.237 1.00 71.05 S ATOM 524 CE MET A 35 -16.039 9.780 -19.454 1.00 10.14 C ATOM 0 H MET A 35 -20.796 11.484 -21.108 1.00 61.55 H new ATOM 0 HA MET A 35 -20.272 12.246 -18.293 1.00 51.41 H new ATOM 0 HB2 MET A 35 -18.963 10.276 -19.668 1.00 73.13 H new ATOM 0 HB3 MET A 35 -17.998 11.665 -20.126 1.00 73.13 H new ATOM 0 HG2 MET A 35 -18.180 12.095 -17.445 1.00 1.40 H new ATOM 0 HG3 MET A 35 -18.300 10.347 -17.474 1.00 1.40 H new ATOM 0 HE1 MET A 35 -15.020 9.394 -19.477 1.00 10.14 H new ATOM 0 HE2 MET A 35 -16.726 8.976 -19.190 1.00 10.14 H new ATOM 0 HE3 MET A 35 -16.300 10.172 -20.437 1.00 10.14 H new ATOM 534 N VAL A 36 -20.537 14.162 -20.559 1.00 1.11 N ATOM 535 CA VAL A 36 -20.344 15.499 -21.107 1.00 2.42 C ATOM 536 C VAL A 36 -21.671 16.115 -21.535 1.00 72.32 C ATOM 537 O VAL A 36 -21.994 17.242 -21.163 1.00 22.01 O ATOM 538 CB VAL A 36 -19.387 15.479 -22.313 1.00 62.35 C ATOM 539 CG1 VAL A 36 -19.832 16.483 -23.365 1.00 40.24 C ATOM 540 CG2 VAL A 36 -17.960 15.759 -21.866 1.00 52.44 C ATOM 0 H VAL A 36 -21.441 13.743 -20.778 1.00 1.11 H new ATOM 0 HA VAL A 36 -19.905 16.105 -20.314 1.00 2.42 H new ATOM 0 HB VAL A 36 -19.415 14.485 -22.760 1.00 62.35 H new ATOM 0 HG11 VAL A 36 -19.143 16.454 -24.210 1.00 40.24 H new ATOM 0 HG12 VAL A 36 -20.836 16.231 -23.707 1.00 40.24 H new ATOM 0 HG13 VAL A 36 -19.836 17.484 -22.934 1.00 40.24 H new ATOM 0 HG21 VAL A 36 -17.297 15.741 -22.731 1.00 52.44 H new ATOM 0 HG22 VAL A 36 -17.913 16.740 -21.393 1.00 52.44 H new ATOM 0 HG23 VAL A 36 -17.646 14.997 -21.153 1.00 52.44 H new ATOM 550 N GLY A 37 -22.439 15.365 -22.321 1.00 3.21 N ATOM 551 CA GLY A 37 -23.723 15.853 -22.787 1.00 53.42 C ATOM 552 C GLY A 37 -23.648 17.273 -23.314 1.00 23.14 C ATOM 553 O GLY A 37 -24.029 18.219 -22.625 1.00 62.34 O ATOM 0 H GLY A 37 -22.194 14.429 -22.643 1.00 3.21 H new ATOM 0 HA2 GLY A 37 -24.094 15.196 -23.574 1.00 53.42 H new ATOM 0 HA3 GLY A 37 -24.443 15.810 -21.970 1.00 53.42 H new ATOM 557 N GLY A 38 -23.152 17.423 -24.538 1.00 74.24 N ATOM 558 CA GLY A 38 -23.035 18.741 -25.135 1.00 32.40 C ATOM 559 C GLY A 38 -22.348 19.733 -24.218 1.00 65.14 C ATOM 560 O GLY A 38 -22.952 20.716 -23.790 1.00 35.33 O ATOM 0 H GLY A 38 -22.829 16.656 -25.127 1.00 74.24 H new ATOM 0 HA2 GLY A 38 -22.476 18.666 -26.068 1.00 32.40 H new ATOM 0 HA3 GLY A 38 -24.028 19.112 -25.387 1.00 32.40 H new ATOM 564 N VAL A 39 -21.079 19.475 -23.915 1.00 52.40 N ATOM 565 CA VAL A 39 -20.308 20.353 -23.043 1.00 14.34 C ATOM 566 C VAL A 39 -18.842 20.393 -23.459 1.00 34.40 C ATOM 567 O VAL A 39 -18.379 21.370 -24.047 1.00 23.21 O ATOM 568 CB VAL A 39 -20.401 19.905 -21.572 1.00 12.31 C ATOM 569 CG1 VAL A 39 -19.378 20.644 -20.723 1.00 1.11 C ATOM 570 CG2 VAL A 39 -21.808 20.124 -21.036 1.00 51.25 C ATOM 0 H VAL A 39 -20.564 18.665 -24.261 1.00 52.40 H new ATOM 0 HA VAL A 39 -20.737 21.351 -23.140 1.00 14.34 H new ATOM 0 HB VAL A 39 -20.179 18.839 -21.521 1.00 12.31 H new ATOM 0 HG11 VAL A 39 -19.459 20.314 -19.687 1.00 1.11 H new ATOM 0 HG12 VAL A 39 -18.375 20.432 -21.094 1.00 1.11 H new ATOM 0 HG13 VAL A 39 -19.566 21.716 -20.778 1.00 1.11 H new ATOM 0 HG21 VAL A 39 -21.855 19.802 -19.996 1.00 51.25 H new ATOM 0 HG22 VAL A 39 -22.061 21.182 -21.100 1.00 51.25 H new ATOM 0 HG23 VAL A 39 -22.517 19.545 -21.628 1.00 51.25 H new ATOM 580 N VAL A 40 -18.116 19.323 -23.151 1.00 34.44 N ATOM 581 CA VAL A 40 -16.702 19.233 -23.494 1.00 52.41 C ATOM 582 C VAL A 40 -16.488 18.343 -24.713 1.00 22.55 C ATOM 583 O VAL A 40 -16.279 17.136 -24.583 1.00 3.04 O ATOM 584 CB VAL A 40 -15.873 18.685 -22.318 1.00 65.41 C ATOM 585 CG1 VAL A 40 -14.409 18.557 -22.711 1.00 24.11 C ATOM 586 CG2 VAL A 40 -16.029 19.575 -21.095 1.00 12.02 C ATOM 0 H VAL A 40 -18.484 18.506 -22.664 1.00 34.44 H new ATOM 0 HA VAL A 40 -16.367 20.244 -23.724 1.00 52.41 H new ATOM 0 HB VAL A 40 -16.245 17.692 -22.066 1.00 65.41 H new ATOM 0 HG11 VAL A 40 -13.838 18.168 -21.867 1.00 24.11 H new ATOM 0 HG12 VAL A 40 -14.317 17.875 -23.556 1.00 24.11 H new ATOM 0 HG13 VAL A 40 -14.021 19.536 -22.991 1.00 24.11 H new ATOM 0 HG21 VAL A 40 -15.436 19.172 -20.274 1.00 12.02 H new ATOM 0 HG22 VAL A 40 -15.685 20.582 -21.331 1.00 12.02 H new ATOM 0 HG23 VAL A 40 -17.078 19.610 -20.802 1.00 12.02 H new