USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 290 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 169:sc= 0.0633 (180deg=-0.162) USER MOD Single : A 6 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.048) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=0.0011) USER MOD Single : A 14 HIS : no HD1:sc= -0.442 X(o=-0.44,f=0.0024) USER MOD Single : A 15 GLN : amide:sc= -0.967 K(o=-0.97,f=1.7) 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= -3.72! C(o=-3.7!,f=-5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 7.820 0.608 -5.616 1.00 74.40 N ATOM 2 CA ASP A 1 6.579 -0.108 -5.341 1.00 10.11 C ATOM 3 C ASP A 1 5.371 0.804 -5.535 1.00 24.24 C ATOM 4 O ASP A 1 4.337 0.625 -4.892 1.00 41.31 O ATOM 5 CB ASP A 1 6.591 -0.663 -3.916 1.00 31.50 C ATOM 6 CG ASP A 1 6.994 0.379 -2.892 1.00 20.25 C ATOM 7 OD1 ASP A 1 6.789 1.581 -3.157 1.00 54.50 O ATOM 8 OD2 ASP A 1 7.516 -0.008 -1.825 1.00 13.04 O ATOM 0 H1 ASP A 1 8.629 0.034 -5.302 1.00 74.40 H new ATOM 0 H2 ASP A 1 7.898 0.787 -6.637 1.00 74.40 H new ATOM 0 H3 ASP A 1 7.819 1.514 -5.105 1.00 74.40 H new ATOM 0 HA ASP A 1 6.503 -0.937 -6.045 1.00 10.11 H new ATOM 0 HB2 ASP A 1 5.600 -1.046 -3.670 1.00 31.50 H new ATOM 0 HB3 ASP A 1 7.280 -1.506 -3.863 1.00 31.50 H new ATOM 13 N ALA A 2 5.511 1.782 -6.424 1.00 22.24 N ATOM 14 CA ALA A 2 4.432 2.721 -6.702 1.00 72.24 C ATOM 15 C ALA A 2 3.227 2.008 -7.307 1.00 14.25 C ATOM 16 O ALA A 2 3.374 1.149 -8.175 1.00 52.32 O ATOM 17 CB ALA A 2 4.918 3.822 -7.633 1.00 74.02 C ATOM 0 H ALA A 2 6.361 1.944 -6.964 1.00 22.24 H new ATOM 0 HA ALA A 2 4.121 3.169 -5.758 1.00 72.24 H new ATOM 0 HB1 ALA A 2 4.102 4.516 -7.832 1.00 74.02 H new ATOM 0 HB2 ALA A 2 5.743 4.357 -7.164 1.00 74.02 H new ATOM 0 HB3 ALA A 2 5.257 3.382 -8.571 1.00 74.02 H new ATOM 23 N GLU A 3 2.036 2.370 -6.840 1.00 54.41 N ATOM 24 CA GLU A 3 0.805 1.763 -7.334 1.00 44.35 C ATOM 25 C GLU A 3 0.498 2.235 -8.753 1.00 12.02 C ATOM 26 O GLU A 3 0.887 3.333 -9.152 1.00 62.42 O ATOM 27 CB GLU A 3 -0.364 2.101 -6.408 1.00 15.11 C ATOM 28 CG GLU A 3 -1.503 1.098 -6.475 1.00 75.31 C ATOM 29 CD GLU A 3 -1.224 -0.157 -5.671 1.00 0.14 C ATOM 30 OE1 GLU A 3 -0.317 -0.922 -6.059 1.00 43.21 O ATOM 31 OE2 GLU A 3 -1.913 -0.373 -4.652 1.00 31.23 O ATOM 0 H GLU A 3 1.897 3.080 -6.121 1.00 54.41 H new ATOM 0 HA GLU A 3 0.944 0.682 -7.351 1.00 44.35 H new ATOM 0 HB2 GLU A 3 0.000 2.156 -5.382 1.00 15.11 H new ATOM 0 HB3 GLU A 3 -0.746 3.089 -6.664 1.00 15.11 H new ATOM 0 HG2 GLU A 3 -2.416 1.566 -6.106 1.00 75.31 H new ATOM 0 HG3 GLU A 3 -1.682 0.826 -7.515 1.00 75.31 H new ATOM 38 N PHE A 4 -0.203 1.397 -9.510 1.00 12.34 N ATOM 39 CA PHE A 4 -0.562 1.727 -10.884 1.00 34.30 C ATOM 40 C PHE A 4 -1.265 3.080 -10.953 1.00 61.52 C ATOM 41 O PHE A 4 -1.597 3.672 -9.926 1.00 62.23 O ATOM 42 CB PHE A 4 -1.465 0.640 -11.472 1.00 42.12 C ATOM 43 CG PHE A 4 -0.720 -0.594 -11.894 1.00 31.44 C ATOM 44 CD1 PHE A 4 -0.207 -1.466 -10.947 1.00 65.53 C ATOM 45 CD2 PHE A 4 -0.534 -0.883 -13.236 1.00 12.11 C ATOM 46 CE1 PHE A 4 0.480 -2.603 -11.333 1.00 12.44 C ATOM 47 CE2 PHE A 4 0.151 -2.018 -13.627 1.00 51.22 C ATOM 48 CZ PHE A 4 0.658 -2.879 -12.674 1.00 73.31 C ATOM 0 H PHE A 4 -0.533 0.485 -9.195 1.00 12.34 H new ATOM 0 HA PHE A 4 0.356 1.784 -11.469 1.00 34.30 H new ATOM 0 HB2 PHE A 4 -2.218 0.365 -10.733 1.00 42.12 H new ATOM 0 HB3 PHE A 4 -1.996 1.046 -12.333 1.00 42.12 H new ATOM 0 HD1 PHE A 4 -0.345 -1.256 -9.897 1.00 65.53 H new ATOM 0 HD2 PHE A 4 -0.929 -0.213 -13.986 1.00 12.11 H new ATOM 0 HE1 PHE A 4 0.877 -3.274 -10.586 1.00 12.44 H new ATOM 0 HE2 PHE A 4 0.290 -2.231 -14.677 1.00 51.22 H new ATOM 0 HZ PHE A 4 1.193 -3.767 -12.977 1.00 73.31 H new ATOM 58 N ARG A 5 -1.487 3.562 -12.171 1.00 53.33 N ATOM 59 CA ARG A 5 -2.148 4.846 -12.376 1.00 33.45 C ATOM 60 C ARG A 5 -3.659 4.712 -12.207 1.00 70.10 C ATOM 61 O ARG A 5 -4.179 3.610 -12.029 1.00 14.14 O ATOM 62 CB ARG A 5 -1.826 5.394 -13.767 1.00 31.40 C ATOM 63 CG ARG A 5 -0.385 5.850 -13.923 1.00 1.41 C ATOM 64 CD ARG A 5 0.542 4.680 -14.211 1.00 44.22 C ATOM 65 NE ARG A 5 1.699 5.082 -15.007 1.00 61.43 N ATOM 66 CZ ARG A 5 1.667 5.232 -16.327 1.00 31.23 C ATOM 67 NH1 ARG A 5 0.542 5.015 -16.995 1.00 1.44 N ATOM 68 NH2 ARG A 5 2.761 5.600 -16.981 1.00 22.33 N ATOM 0 H ARG A 5 -1.219 3.083 -13.031 1.00 53.33 H new ATOM 0 HA ARG A 5 -1.776 5.542 -11.624 1.00 33.45 H new ATOM 0 HB2 ARG A 5 -2.037 4.624 -14.509 1.00 31.40 H new ATOM 0 HB3 ARG A 5 -2.489 6.233 -13.980 1.00 31.40 H new ATOM 0 HG2 ARG A 5 -0.318 6.576 -14.733 1.00 1.41 H new ATOM 0 HG3 ARG A 5 -0.062 6.356 -13.013 1.00 1.41 H new ATOM 0 HD2 ARG A 5 0.882 4.247 -13.270 1.00 44.22 H new ATOM 0 HD3 ARG A 5 -0.009 3.902 -14.740 1.00 44.22 H new ATOM 0 HE ARG A 5 2.580 5.257 -14.523 1.00 61.43 H new ATOM 0 HH11 ARG A 5 -0.301 4.732 -16.496 1.00 1.44 H new ATOM 0 HH12 ARG A 5 0.520 5.131 -18.008 1.00 1.44 H new ATOM 0 HH21 ARG A 5 3.628 5.768 -16.471 1.00 22.33 H new ATOM 0 HH22 ARG A 5 2.735 5.715 -17.994 1.00 22.33 H new ATOM 82 N HIS A 6 -4.358 5.841 -12.264 1.00 41.23 N ATOM 83 CA HIS A 6 -5.809 5.850 -12.118 1.00 52.42 C ATOM 84 C HIS A 6 -6.479 5.164 -13.305 1.00 11.41 C ATOM 85 O HIS A 6 -6.996 4.054 -13.182 1.00 21.23 O ATOM 86 CB HIS A 6 -6.321 7.285 -11.988 1.00 43.33 C ATOM 87 CG HIS A 6 -7.812 7.383 -11.895 1.00 13.34 C ATOM 88 ND1 HIS A 6 -8.512 8.530 -12.206 1.00 33.13 N ATOM 89 CD2 HIS A 6 -8.738 6.468 -11.524 1.00 11.14 C ATOM 90 CE1 HIS A 6 -9.804 8.316 -12.028 1.00 42.44 C ATOM 91 NE2 HIS A 6 -9.968 7.073 -11.615 1.00 63.41 N ATOM 0 H HIS A 6 -3.943 6.761 -12.410 1.00 41.23 H new ATOM 0 HA HIS A 6 -6.061 5.299 -11.212 1.00 52.42 H new ATOM 0 HB2 HIS A 6 -5.879 7.741 -11.102 1.00 43.33 H new ATOM 0 HB3 HIS A 6 -5.980 7.863 -12.847 1.00 43.33 H new ATOM 0 HD2 HIS A 6 -8.546 5.451 -11.214 1.00 11.14 H new ATOM 0 HE1 HIS A 6 -10.592 9.036 -12.193 1.00 42.44 H new ATOM 0 HE2 HIS A 6 -10.863 6.633 -11.399 1.00 63.41 H new ATOM 99 N ASP A 7 -6.467 5.833 -14.453 1.00 2.14 N ATOM 100 CA ASP A 7 -7.073 5.288 -15.662 1.00 22.12 C ATOM 101 C ASP A 7 -6.055 5.218 -16.796 1.00 22.42 C ATOM 102 O ASP A 7 -5.587 4.138 -17.157 1.00 61.02 O ATOM 103 CB ASP A 7 -8.270 6.140 -16.087 1.00 21.24 C ATOM 104 CG ASP A 7 -8.922 5.630 -17.357 1.00 64.00 C ATOM 105 OD1 ASP A 7 -9.243 4.425 -17.417 1.00 34.42 O ATOM 106 OD2 ASP A 7 -9.111 6.437 -18.291 1.00 65.53 O ATOM 0 H ASP A 7 -6.044 6.754 -14.571 1.00 2.14 H new ATOM 0 HA ASP A 7 -7.416 4.277 -15.443 1.00 22.12 H new ATOM 0 HB2 ASP A 7 -9.007 6.153 -15.284 1.00 21.24 H new ATOM 0 HB3 ASP A 7 -7.944 7.169 -16.237 1.00 21.24 H new ATOM 111 N SER A 8 -5.717 6.376 -17.354 1.00 20.14 N ATOM 112 CA SER A 8 -4.758 6.445 -18.450 1.00 51.41 C ATOM 113 C SER A 8 -5.147 5.488 -19.573 1.00 4.41 C ATOM 114 O SER A 8 -4.317 4.730 -20.072 1.00 44.05 O ATOM 115 CB SER A 8 -3.351 6.115 -17.947 1.00 55.31 C ATOM 116 OG SER A 8 -2.878 7.116 -17.063 1.00 12.23 O ATOM 0 H SER A 8 -6.093 7.279 -17.065 1.00 20.14 H new ATOM 0 HA SER A 8 -4.766 7.462 -18.843 1.00 51.41 H new ATOM 0 HB2 SER A 8 -3.360 5.151 -17.438 1.00 55.31 H new ATOM 0 HB3 SER A 8 -2.671 6.022 -18.794 1.00 55.31 H new ATOM 0 HG SER A 8 -1.978 6.881 -16.754 1.00 12.23 H new ATOM 122 N GLY A 9 -6.416 5.530 -19.965 1.00 55.21 N ATOM 123 CA GLY A 9 -6.894 4.663 -21.026 1.00 33.32 C ATOM 124 C GLY A 9 -7.009 5.381 -22.355 1.00 42.54 C ATOM 125 O GLY A 9 -8.038 5.987 -22.655 1.00 72.10 O ATOM 0 H GLY A 9 -7.122 6.149 -19.567 1.00 55.21 H new ATOM 0 HA2 GLY A 9 -6.216 3.816 -21.132 1.00 33.32 H new ATOM 0 HA3 GLY A 9 -7.868 4.259 -20.750 1.00 33.32 H new ATOM 129 N TYR A 10 -5.949 5.317 -23.154 1.00 74.20 N ATOM 130 CA TYR A 10 -5.934 5.970 -24.457 1.00 42.24 C ATOM 131 C TYR A 10 -5.125 5.158 -25.464 1.00 42.33 C ATOM 132 O TYR A 10 -4.463 4.186 -25.104 1.00 24.20 O ATOM 133 CB TYR A 10 -5.352 7.380 -24.338 1.00 34.04 C ATOM 134 CG TYR A 10 -5.879 8.342 -25.378 1.00 45.43 C ATOM 135 CD1 TYR A 10 -7.217 8.714 -25.396 1.00 71.01 C ATOM 136 CD2 TYR A 10 -5.036 8.881 -26.343 1.00 53.04 C ATOM 137 CE1 TYR A 10 -7.702 9.592 -26.346 1.00 10.34 C ATOM 138 CE2 TYR A 10 -5.512 9.761 -27.296 1.00 12.31 C ATOM 139 CZ TYR A 10 -6.846 10.113 -27.293 1.00 42.41 C ATOM 140 OH TYR A 10 -7.325 10.990 -28.240 1.00 23.22 O ATOM 0 H TYR A 10 -5.089 4.819 -22.922 1.00 74.20 H new ATOM 0 HA TYR A 10 -6.962 6.037 -24.813 1.00 42.24 H new ATOM 0 HB2 TYR A 10 -5.574 7.773 -23.346 1.00 34.04 H new ATOM 0 HB3 TYR A 10 -4.267 7.324 -24.423 1.00 34.04 H new ATOM 0 HD1 TYR A 10 -7.890 8.310 -24.654 1.00 71.01 H new ATOM 0 HD2 TYR A 10 -3.991 8.607 -26.348 1.00 53.04 H new ATOM 0 HE1 TYR A 10 -8.746 9.869 -26.347 1.00 10.34 H new ATOM 0 HE2 TYR A 10 -4.844 10.171 -28.039 1.00 12.31 H new ATOM 0 HH TYR A 10 -6.593 11.264 -28.832 1.00 23.22 H new ATOM 150 N GLU A 11 -5.184 5.567 -26.728 1.00 70.40 N ATOM 151 CA GLU A 11 -4.457 4.877 -27.788 1.00 12.23 C ATOM 152 C GLU A 11 -2.985 5.279 -27.788 1.00 30.01 C ATOM 153 O GLU A 11 -2.162 4.664 -28.466 1.00 31.30 O ATOM 154 CB GLU A 11 -5.082 5.187 -29.150 1.00 21.23 C ATOM 155 CG GLU A 11 -5.211 6.673 -29.437 1.00 3.34 C ATOM 156 CD GLU A 11 -6.606 7.201 -29.165 1.00 0.20 C ATOM 157 OE1 GLU A 11 -7.284 6.652 -28.271 1.00 4.21 O ATOM 158 OE2 GLU A 11 -7.020 8.162 -29.846 1.00 14.20 O ATOM 0 H GLU A 11 -5.727 6.371 -27.043 1.00 70.40 H new ATOM 0 HA GLU A 11 -4.523 3.805 -27.601 1.00 12.23 H new ATOM 0 HB2 GLU A 11 -4.477 4.726 -29.931 1.00 21.23 H new ATOM 0 HB3 GLU A 11 -6.070 4.729 -29.200 1.00 21.23 H new ATOM 0 HG2 GLU A 11 -4.494 7.221 -28.826 1.00 3.34 H new ATOM 0 HG3 GLU A 11 -4.952 6.862 -30.479 1.00 3.34 H new ATOM 165 N VAL A 12 -2.661 6.316 -27.023 1.00 3.52 N ATOM 166 CA VAL A 12 -1.288 6.801 -26.933 1.00 55.15 C ATOM 167 C VAL A 12 -0.324 5.665 -26.613 1.00 31.24 C ATOM 168 O VAL A 12 -0.372 5.083 -25.529 1.00 32.45 O ATOM 169 CB VAL A 12 -1.149 7.897 -25.860 1.00 21.30 C ATOM 170 CG1 VAL A 12 -1.691 7.409 -24.525 1.00 60.21 C ATOM 171 CG2 VAL A 12 0.303 8.331 -25.728 1.00 51.34 C ATOM 0 H VAL A 12 -3.330 6.837 -26.456 1.00 3.52 H new ATOM 0 HA VAL A 12 -1.037 7.223 -27.906 1.00 55.15 H new ATOM 0 HB VAL A 12 -1.737 8.761 -26.170 1.00 21.30 H new ATOM 0 HG11 VAL A 12 -1.584 8.197 -23.779 1.00 60.21 H new ATOM 0 HG12 VAL A 12 -2.745 7.151 -24.632 1.00 60.21 H new ATOM 0 HG13 VAL A 12 -1.133 6.529 -24.206 1.00 60.21 H new ATOM 0 HG21 VAL A 12 0.383 9.106 -24.966 1.00 51.34 H new ATOM 0 HG22 VAL A 12 0.914 7.475 -25.441 1.00 51.34 H new ATOM 0 HG23 VAL A 12 0.654 8.723 -26.683 1.00 51.34 H new ATOM 181 N HIS A 13 0.552 5.354 -27.562 1.00 64.34 N ATOM 182 CA HIS A 13 1.530 4.287 -27.381 1.00 22.24 C ATOM 183 C HIS A 13 2.626 4.714 -26.409 1.00 1.01 C ATOM 184 O HIS A 13 3.316 3.876 -25.828 1.00 23.20 O ATOM 185 CB HIS A 13 2.147 3.897 -28.724 1.00 42.43 C ATOM 186 CG HIS A 13 1.236 3.080 -29.587 1.00 63.32 C ATOM 187 ND1 HIS A 13 1.513 1.780 -29.954 1.00 23.53 N ATOM 188 CD2 HIS A 13 0.046 3.384 -30.155 1.00 71.32 C ATOM 189 CE1 HIS A 13 0.534 1.320 -30.711 1.00 74.23 C ATOM 190 NE2 HIS A 13 -0.370 2.274 -30.849 1.00 23.45 N ATOM 0 H HIS A 13 0.605 5.826 -28.465 1.00 64.34 H new ATOM 0 HA HIS A 13 1.014 3.423 -26.963 1.00 22.24 H new ATOM 0 HB2 HIS A 13 2.428 4.802 -29.262 1.00 42.43 H new ATOM 0 HB3 HIS A 13 3.064 3.335 -28.544 1.00 42.43 H new ATOM 0 HD2 HIS A 13 -0.479 4.325 -30.077 1.00 71.32 H new ATOM 0 HE1 HIS A 13 0.481 0.332 -31.144 1.00 74.23 H new ATOM 0 HE2 HIS A 13 -1.235 2.198 -31.384 1.00 23.45 H new ATOM 198 N HIS A 14 2.781 6.023 -26.237 1.00 41.14 N ATOM 199 CA HIS A 14 3.794 6.562 -25.336 1.00 35.50 C ATOM 200 C HIS A 14 3.549 6.096 -23.904 1.00 32.32 C ATOM 201 O HIS A 14 4.448 6.141 -23.065 1.00 62.11 O ATOM 202 CB HIS A 14 3.798 8.089 -25.394 1.00 53.40 C ATOM 203 CG HIS A 14 4.059 8.636 -26.764 1.00 34.01 C ATOM 204 ND1 HIS A 14 5.253 9.222 -27.126 1.00 24.55 N ATOM 205 CD2 HIS A 14 3.271 8.682 -27.864 1.00 33.05 C ATOM 206 CE1 HIS A 14 5.189 9.606 -28.388 1.00 34.32 C ATOM 207 NE2 HIS A 14 3.996 9.289 -28.859 1.00 11.41 N ATOM 0 H HIS A 14 2.218 6.730 -26.710 1.00 41.14 H new ATOM 0 HA HIS A 14 4.767 6.192 -25.659 1.00 35.50 H new ATOM 0 HB2 HIS A 14 2.836 8.460 -25.041 1.00 53.40 H new ATOM 0 HB3 HIS A 14 4.557 8.468 -24.710 1.00 53.40 H new ATOM 0 HD2 HIS A 14 2.260 8.310 -27.944 1.00 33.05 H new ATOM 0 HE1 HIS A 14 5.977 10.096 -28.941 1.00 34.32 H new ATOM 0 HE2 HIS A 14 3.667 9.467 -29.808 1.00 11.41 H new ATOM 215 N GLN A 15 2.327 5.650 -23.632 1.00 75.24 N ATOM 216 CA GLN A 15 1.964 5.178 -22.301 1.00 63.43 C ATOM 217 C GLN A 15 2.553 3.796 -22.035 1.00 3.33 C ATOM 218 O GLN A 15 2.461 3.274 -20.924 1.00 35.42 O ATOM 219 CB GLN A 15 0.443 5.134 -22.149 1.00 11.30 C ATOM 220 CG GLN A 15 -0.179 3.830 -22.622 1.00 11.30 C ATOM 221 CD GLN A 15 -1.684 3.924 -22.776 1.00 34.33 C ATOM 222 OE1 GLN A 15 -2.191 4.272 -23.843 1.00 24.12 O ATOM 223 NE2 GLN A 15 -2.409 3.612 -21.708 1.00 13.13 N ATOM 0 H GLN A 15 1.571 5.606 -24.316 1.00 75.24 H new ATOM 0 HA GLN A 15 2.375 5.876 -21.571 1.00 63.43 H new ATOM 0 HB2 GLN A 15 0.186 5.290 -21.101 1.00 11.30 H new ATOM 0 HB3 GLN A 15 0.006 5.960 -22.711 1.00 11.30 H new ATOM 0 HG2 GLN A 15 0.263 3.546 -23.577 1.00 11.30 H new ATOM 0 HG3 GLN A 15 0.061 3.039 -21.912 1.00 11.30 H new ATOM 0 HE21 GLN A 15 -1.948 3.329 -20.844 1.00 13.13 H new ATOM 0 HE22 GLN A 15 -3.427 3.656 -21.752 1.00 13.13 H new ATOM 232 N LYS A 16 3.160 3.209 -23.061 1.00 35.01 N ATOM 233 CA LYS A 16 3.765 1.888 -22.939 1.00 1.33 C ATOM 234 C LYS A 16 4.713 1.833 -21.745 1.00 65.02 C ATOM 235 O LYS A 16 4.967 0.763 -21.189 1.00 53.25 O ATOM 236 CB LYS A 16 4.520 1.530 -24.221 1.00 3.23 C ATOM 237 CG LYS A 16 4.881 0.058 -24.323 1.00 40.31 C ATOM 238 CD LYS A 16 6.232 -0.230 -23.690 1.00 60.13 C ATOM 239 CE LYS A 16 6.228 -1.558 -22.949 1.00 10.15 C ATOM 240 NZ LYS A 16 6.203 -2.716 -23.884 1.00 53.04 N ATOM 0 H LYS A 16 3.246 3.628 -23.987 1.00 35.01 H new ATOM 0 HA LYS A 16 2.967 1.163 -22.781 1.00 1.33 H new ATOM 0 HB2 LYS A 16 3.910 1.806 -25.081 1.00 3.23 H new ATOM 0 HB3 LYS A 16 5.433 2.124 -24.273 1.00 3.23 H new ATOM 0 HG2 LYS A 16 4.113 -0.541 -23.833 1.00 40.31 H new ATOM 0 HG3 LYS A 16 4.898 -0.242 -25.371 1.00 40.31 H new ATOM 0 HD2 LYS A 16 7.001 -0.245 -24.462 1.00 60.13 H new ATOM 0 HD3 LYS A 16 6.490 0.573 -22.999 1.00 60.13 H new ATOM 0 HE2 LYS A 16 7.112 -1.622 -22.315 1.00 10.15 H new ATOM 0 HE3 LYS A 16 5.360 -1.604 -22.291 1.00 10.15 H new ATOM 0 HZ1 LYS A 16 6.201 -3.602 -23.339 1.00 53.04 H new ATOM 0 HZ2 LYS A 16 5.346 -2.669 -24.472 1.00 53.04 H new ATOM 0 HZ3 LYS A 16 7.044 -2.687 -24.495 1.00 53.04 H new ATOM 254 N LEU A 17 5.234 2.991 -21.355 1.00 40.20 N ATOM 255 CA LEU A 17 6.154 3.075 -20.226 1.00 33.13 C ATOM 256 C LEU A 17 5.517 2.506 -18.962 1.00 12.54 C ATOM 257 O LEU A 17 6.213 2.135 -18.016 1.00 55.31 O ATOM 258 CB LEU A 17 6.573 4.527 -19.991 1.00 11.14 C ATOM 259 CG LEU A 17 7.037 4.871 -18.575 1.00 32.13 C ATOM 260 CD1 LEU A 17 8.080 5.977 -18.609 1.00 13.24 C ATOM 261 CD2 LEU A 17 5.853 5.278 -17.710 1.00 32.03 C ATOM 0 H LEU A 17 5.035 3.885 -21.804 1.00 40.20 H new ATOM 0 HA LEU A 17 7.038 2.483 -20.464 1.00 33.13 H new ATOM 0 HB2 LEU A 17 7.379 4.768 -20.684 1.00 11.14 H new ATOM 0 HB3 LEU A 17 5.731 5.172 -20.243 1.00 11.14 H new ATOM 0 HG LEU A 17 7.493 3.983 -18.137 1.00 32.13 H new ATOM 0 HD11 LEU A 17 8.398 6.208 -17.592 1.00 13.24 H new ATOM 0 HD12 LEU A 17 8.940 5.648 -19.193 1.00 13.24 H new ATOM 0 HD13 LEU A 17 7.650 6.868 -19.066 1.00 13.24 H new ATOM 0 HD21 LEU A 17 6.202 5.519 -16.706 1.00 32.03 H new ATOM 0 HD22 LEU A 17 5.368 6.152 -18.145 1.00 32.03 H new ATOM 0 HD23 LEU A 17 5.140 4.455 -17.658 1.00 32.03 H new ATOM 273 N VAL A 18 4.189 2.439 -18.953 1.00 2.23 N ATOM 274 CA VAL A 18 3.458 1.913 -17.806 1.00 61.34 C ATOM 275 C VAL A 18 3.926 0.505 -17.456 1.00 30.24 C ATOM 276 O VAL A 18 3.727 0.034 -16.336 1.00 21.14 O ATOM 277 CB VAL A 18 1.941 1.886 -18.072 1.00 42.51 C ATOM 278 CG1 VAL A 18 1.627 1.031 -19.290 1.00 50.31 C ATOM 279 CG2 VAL A 18 1.195 1.379 -16.847 1.00 51.24 C ATOM 0 H VAL A 18 3.598 2.742 -19.727 1.00 2.23 H new ATOM 0 HA VAL A 18 3.661 2.580 -16.968 1.00 61.34 H new ATOM 0 HB VAL A 18 1.607 2.903 -18.277 1.00 42.51 H new ATOM 0 HG11 VAL A 18 0.551 1.024 -19.462 1.00 50.31 H new ATOM 0 HG12 VAL A 18 2.131 1.443 -20.164 1.00 50.31 H new ATOM 0 HG13 VAL A 18 1.974 0.012 -19.118 1.00 50.31 H new ATOM 0 HG21 VAL A 18 0.125 1.366 -17.052 1.00 51.24 H new ATOM 0 HG22 VAL A 18 1.531 0.370 -16.608 1.00 51.24 H new ATOM 0 HG23 VAL A 18 1.394 2.037 -16.001 1.00 51.24 H new ATOM 289 N PHE A 19 4.549 -0.163 -18.421 1.00 25.15 N ATOM 290 CA PHE A 19 5.046 -1.519 -18.214 1.00 41.43 C ATOM 291 C PHE A 19 5.869 -1.607 -16.933 1.00 24.04 C ATOM 292 O PHE A 19 5.921 -2.653 -16.286 1.00 24.33 O ATOM 293 CB PHE A 19 5.893 -1.962 -19.409 1.00 53.33 C ATOM 294 CG PHE A 19 7.307 -1.459 -19.361 1.00 23.21 C ATOM 295 CD1 PHE A 19 7.591 -0.125 -19.603 1.00 41.24 C ATOM 296 CD2 PHE A 19 8.353 -2.321 -19.072 1.00 42.04 C ATOM 297 CE1 PHE A 19 8.892 0.340 -19.560 1.00 60.23 C ATOM 298 CE2 PHE A 19 9.656 -1.862 -19.027 1.00 42.14 C ATOM 299 CZ PHE A 19 9.926 -0.529 -19.271 1.00 33.43 C ATOM 0 H PHE A 19 4.722 0.212 -19.354 1.00 25.15 H new ATOM 0 HA PHE A 19 4.187 -2.184 -18.119 1.00 41.43 H new ATOM 0 HB2 PHE A 19 5.905 -3.051 -19.452 1.00 53.33 H new ATOM 0 HB3 PHE A 19 5.422 -1.612 -20.328 1.00 53.33 H new ATOM 0 HD1 PHE A 19 6.787 0.560 -19.828 1.00 41.24 H new ATOM 0 HD2 PHE A 19 8.148 -3.364 -18.880 1.00 42.04 H new ATOM 0 HE1 PHE A 19 9.100 1.382 -19.752 1.00 60.23 H new ATOM 0 HE2 PHE A 19 10.462 -2.544 -18.801 1.00 42.14 H new ATOM 0 HZ PHE A 19 10.943 -0.167 -19.236 1.00 33.43 H new ATOM 309 N PHE A 20 6.512 -0.501 -16.572 1.00 63.30 N ATOM 310 CA PHE A 20 7.335 -0.453 -15.369 1.00 30.11 C ATOM 311 C PHE A 20 6.557 -0.958 -14.157 1.00 53.24 C ATOM 312 O PHE A 20 7.135 -1.505 -13.219 1.00 11.12 O ATOM 313 CB PHE A 20 7.824 0.975 -15.117 1.00 32.34 C ATOM 314 CG PHE A 20 6.841 1.820 -14.358 1.00 32.53 C ATOM 315 CD1 PHE A 20 5.621 2.159 -14.919 1.00 55.22 C ATOM 316 CD2 PHE A 20 7.137 2.274 -13.083 1.00 3.41 C ATOM 317 CE1 PHE A 20 4.713 2.936 -14.223 1.00 44.24 C ATOM 318 CE2 PHE A 20 6.234 3.051 -12.382 1.00 41.33 C ATOM 319 CZ PHE A 20 5.021 3.384 -12.954 1.00 23.44 C ATOM 0 H PHE A 20 6.479 0.374 -17.095 1.00 63.30 H new ATOM 0 HA PHE A 20 8.196 -1.103 -15.522 1.00 30.11 H new ATOM 0 HB2 PHE A 20 8.762 0.937 -14.563 1.00 32.34 H new ATOM 0 HB3 PHE A 20 8.038 1.451 -16.074 1.00 32.34 H new ATOM 0 HD1 PHE A 20 5.376 1.812 -15.912 1.00 55.22 H new ATOM 0 HD2 PHE A 20 8.084 2.018 -12.632 1.00 3.41 H new ATOM 0 HE1 PHE A 20 3.764 3.192 -14.672 1.00 44.24 H new ATOM 0 HE2 PHE A 20 6.476 3.398 -11.388 1.00 41.33 H new ATOM 0 HZ PHE A 20 4.315 3.994 -12.409 1.00 23.44 H new ATOM 329 N ALA A 21 5.241 -0.769 -14.186 1.00 25.11 N ATOM 330 CA ALA A 21 4.383 -1.206 -13.092 1.00 2.12 C ATOM 331 C ALA A 21 3.845 -2.610 -13.343 1.00 63.51 C ATOM 332 O ALA A 21 3.509 -3.333 -12.405 1.00 43.33 O ATOM 333 CB ALA A 21 3.235 -0.226 -12.898 1.00 24.02 C ATOM 0 H ALA A 21 4.747 -0.316 -14.955 1.00 25.11 H new ATOM 0 HA ALA A 21 4.982 -1.232 -12.182 1.00 2.12 H new ATOM 0 HB1 ALA A 21 2.602 -0.565 -12.078 1.00 24.02 H new ATOM 0 HB2 ALA A 21 3.635 0.761 -12.664 1.00 24.02 H new ATOM 0 HB3 ALA A 21 2.645 -0.171 -13.813 1.00 24.02 H new ATOM 339 N GLU A 22 3.766 -2.990 -14.615 1.00 23.34 N ATOM 340 CA GLU A 22 3.267 -4.309 -14.988 1.00 3.42 C ATOM 341 C GLU A 22 4.338 -5.375 -14.778 1.00 22.24 C ATOM 342 O GLU A 22 4.029 -6.551 -14.582 1.00 12.44 O ATOM 343 CB GLU A 22 2.810 -4.311 -16.448 1.00 15.32 C ATOM 344 CG GLU A 22 1.756 -5.362 -16.754 1.00 1.01 C ATOM 345 CD GLU A 22 1.729 -5.752 -18.219 1.00 41.41 C ATOM 346 OE1 GLU A 22 2.720 -6.346 -18.693 1.00 4.24 O ATOM 347 OE2 GLU A 22 0.718 -5.462 -18.892 1.00 71.31 O ATOM 0 H GLU A 22 4.041 -2.404 -15.403 1.00 23.34 H new ATOM 0 HA GLU A 22 2.416 -4.542 -14.348 1.00 3.42 H new ATOM 0 HB2 GLU A 22 2.413 -3.327 -16.697 1.00 15.32 H new ATOM 0 HB3 GLU A 22 3.675 -4.478 -17.090 1.00 15.32 H new ATOM 0 HG2 GLU A 22 1.946 -6.249 -16.149 1.00 1.01 H new ATOM 0 HG3 GLU A 22 0.776 -4.983 -16.465 1.00 1.01 H new ATOM 354 N ASP A 23 5.598 -4.956 -14.820 1.00 61.45 N ATOM 355 CA ASP A 23 6.716 -5.874 -14.634 1.00 72.54 C ATOM 356 C ASP A 23 7.206 -5.848 -13.190 1.00 72.30 C ATOM 357 O ASP A 23 8.370 -6.138 -12.913 1.00 11.20 O ATOM 358 CB ASP A 23 7.862 -5.515 -15.581 1.00 72.14 C ATOM 359 CG ASP A 23 8.803 -6.679 -15.819 1.00 62.51 C ATOM 360 OD1 ASP A 23 8.337 -7.838 -15.778 1.00 2.41 O ATOM 361 OD2 ASP A 23 10.006 -6.433 -16.047 1.00 54.43 O ATOM 0 H ASP A 23 5.871 -3.986 -14.981 1.00 61.45 H new ATOM 0 HA ASP A 23 6.368 -6.881 -14.863 1.00 72.54 H new ATOM 0 HB2 ASP A 23 7.451 -5.183 -16.534 1.00 72.14 H new ATOM 0 HB3 ASP A 23 8.423 -4.677 -15.167 1.00 72.14 H new ATOM 366 N VAL A 24 6.310 -5.498 -12.273 1.00 32.24 N ATOM 367 CA VAL A 24 6.651 -5.434 -10.856 1.00 74.05 C ATOM 368 C VAL A 24 6.658 -6.824 -10.230 1.00 5.34 C ATOM 369 O VAL A 24 7.353 -7.068 -9.244 1.00 43.31 O ATOM 370 CB VAL A 24 5.665 -4.539 -10.082 1.00 30.00 C ATOM 371 CG1 VAL A 24 5.746 -3.103 -10.576 1.00 5.31 C ATOM 372 CG2 VAL A 24 4.247 -5.075 -10.208 1.00 60.31 C ATOM 0 H VAL A 24 5.343 -5.254 -12.485 1.00 32.24 H new ATOM 0 HA VAL A 24 7.650 -5.003 -10.789 1.00 74.05 H new ATOM 0 HB VAL A 24 5.942 -4.552 -9.028 1.00 30.00 H new ATOM 0 HG11 VAL A 24 5.042 -2.486 -10.017 1.00 5.31 H new ATOM 0 HG12 VAL A 24 6.757 -2.724 -10.429 1.00 5.31 H new ATOM 0 HG13 VAL A 24 5.497 -3.068 -11.637 1.00 5.31 H new ATOM 0 HG21 VAL A 24 3.564 -4.430 -9.655 1.00 60.31 H new ATOM 0 HG22 VAL A 24 3.957 -5.094 -11.259 1.00 60.31 H new ATOM 0 HG23 VAL A 24 4.202 -6.085 -9.801 1.00 60.31 H new ATOM 382 N GLY A 25 5.880 -7.733 -10.809 1.00 43.00 N ATOM 383 CA GLY A 25 5.812 -9.088 -10.294 1.00 4.01 C ATOM 384 C GLY A 25 6.839 -10.003 -10.932 1.00 11.11 C ATOM 385 O GLY A 25 6.790 -10.258 -12.135 1.00 44.32 O ATOM 0 H GLY A 25 5.295 -7.555 -11.626 1.00 43.00 H new ATOM 0 HA2 GLY A 25 5.965 -9.071 -9.215 1.00 4.01 H new ATOM 0 HA3 GLY A 25 4.814 -9.490 -10.468 1.00 4.01 H new ATOM 389 N SER A 26 7.772 -10.497 -10.124 1.00 72.24 N ATOM 390 CA SER A 26 8.818 -11.385 -10.618 1.00 41.34 C ATOM 391 C SER A 26 8.414 -12.846 -10.452 1.00 21.44 C ATOM 392 O SER A 26 8.211 -13.322 -9.335 1.00 62.03 O ATOM 393 CB SER A 26 10.132 -11.119 -9.880 1.00 73.53 C ATOM 394 OG SER A 26 10.834 -10.036 -10.463 1.00 43.32 O ATOM 0 H SER A 26 7.825 -10.297 -9.125 1.00 72.24 H new ATOM 0 HA SER A 26 8.959 -11.185 -11.680 1.00 41.34 H new ATOM 0 HB2 SER A 26 9.926 -10.901 -8.832 1.00 73.53 H new ATOM 0 HB3 SER A 26 10.754 -12.014 -9.903 1.00 73.53 H new ATOM 0 HG SER A 26 11.669 -9.885 -9.972 1.00 43.32 H new ATOM 400 N ASN A 27 8.299 -13.554 -11.571 1.00 42.51 N ATOM 401 CA ASN A 27 7.919 -14.961 -11.550 1.00 71.33 C ATOM 402 C ASN A 27 9.070 -15.828 -11.049 1.00 73.41 C ATOM 403 O ASN A 27 10.204 -15.365 -10.929 1.00 22.44 O ATOM 404 CB ASN A 27 7.493 -15.417 -12.948 1.00 3.34 C ATOM 405 CG ASN A 27 8.505 -15.038 -14.012 1.00 72.02 C ATOM 406 OD1 ASN A 27 9.706 -15.254 -13.848 1.00 13.31 O ATOM 407 ND2 ASN A 27 8.022 -14.470 -15.111 1.00 43.12 N ATOM 0 H ASN A 27 8.464 -13.176 -12.504 1.00 42.51 H new ATOM 0 HA ASN A 27 7.078 -15.074 -10.866 1.00 71.33 H new ATOM 0 HB2 ASN A 27 7.357 -16.498 -12.949 1.00 3.34 H new ATOM 0 HB3 ASN A 27 6.528 -14.974 -13.194 1.00 3.34 H new ATOM 0 HD21 ASN A 27 8.654 -14.194 -15.862 1.00 43.12 H new ATOM 0 HD22 ASN A 27 7.019 -14.310 -15.204 1.00 43.12 H new ATOM 414 N LYS A 28 8.770 -17.090 -10.759 1.00 11.12 N ATOM 415 CA LYS A 28 9.778 -18.024 -10.272 1.00 62.15 C ATOM 416 C LYS A 28 10.382 -18.821 -11.424 1.00 71.32 C ATOM 417 O LYS A 28 11.542 -19.227 -11.370 1.00 61.01 O ATOM 418 CB LYS A 28 9.166 -18.978 -9.244 1.00 52.40 C ATOM 419 CG LYS A 28 9.220 -18.452 -7.820 1.00 32.52 C ATOM 420 CD LYS A 28 8.047 -17.535 -7.519 1.00 53.30 C ATOM 421 CE LYS A 28 8.270 -16.747 -6.237 1.00 35.52 C ATOM 422 NZ LYS A 28 7.002 -16.166 -5.716 1.00 15.04 N ATOM 0 H LYS A 28 7.836 -17.489 -10.853 1.00 11.12 H new ATOM 0 HA LYS A 28 10.571 -17.448 -9.796 1.00 62.15 H new ATOM 0 HB2 LYS A 28 8.127 -19.171 -9.512 1.00 52.40 H new ATOM 0 HB3 LYS A 28 9.689 -19.933 -9.290 1.00 52.40 H new ATOM 0 HG2 LYS A 28 9.217 -19.289 -7.122 1.00 32.52 H new ATOM 0 HG3 LYS A 28 10.154 -17.912 -7.666 1.00 32.52 H new ATOM 0 HD2 LYS A 28 7.900 -16.845 -8.350 1.00 53.30 H new ATOM 0 HD3 LYS A 28 7.135 -18.126 -7.430 1.00 53.30 H new ATOM 0 HE2 LYS A 28 8.708 -17.399 -5.481 1.00 35.52 H new ATOM 0 HE3 LYS A 28 8.987 -15.947 -6.422 1.00 35.52 H new ATOM 0 HZ1 LYS A 28 7.196 -15.637 -4.842 1.00 15.04 H new ATOM 0 HZ2 LYS A 28 6.597 -15.524 -6.427 1.00 15.04 H new ATOM 0 HZ3 LYS A 28 6.327 -16.931 -5.515 1.00 15.04 H new ATOM 436 N GLY A 29 9.587 -19.041 -12.467 1.00 73.00 N ATOM 437 CA GLY A 29 10.061 -19.788 -13.617 1.00 43.45 C ATOM 438 C GLY A 29 9.439 -19.311 -14.915 1.00 34.22 C ATOM 439 O GLY A 29 10.132 -19.136 -15.916 1.00 41.51 O ATOM 0 H GLY A 29 8.623 -18.715 -12.536 1.00 73.00 H new ATOM 0 HA2 GLY A 29 11.145 -19.698 -13.683 1.00 43.45 H new ATOM 0 HA3 GLY A 29 9.837 -20.845 -13.477 1.00 43.45 H new ATOM 443 N ALA A 30 8.126 -19.103 -14.898 1.00 61.21 N ATOM 444 CA ALA A 30 7.410 -18.644 -16.082 1.00 23.21 C ATOM 445 C ALA A 30 7.560 -19.634 -17.232 1.00 75.40 C ATOM 446 O ALA A 30 7.489 -19.256 -18.402 1.00 32.32 O ATOM 447 CB ALA A 30 7.908 -17.268 -16.499 1.00 62.44 C ATOM 0 H ALA A 30 7.537 -19.245 -14.077 1.00 61.21 H new ATOM 0 HA ALA A 30 6.351 -18.575 -15.832 1.00 23.21 H new ATOM 0 HB1 ALA A 30 7.365 -16.937 -17.384 1.00 62.44 H new ATOM 0 HB2 ALA A 30 7.743 -16.560 -15.687 1.00 62.44 H new ATOM 0 HB3 ALA A 30 8.973 -17.320 -16.725 1.00 62.44 H new ATOM 453 N ILE A 31 7.767 -20.902 -16.892 1.00 51.00 N ATOM 454 CA ILE A 31 7.926 -21.946 -17.897 1.00 14.30 C ATOM 455 C ILE A 31 6.728 -21.988 -18.840 1.00 32.03 C ATOM 456 O ILE A 31 6.840 -22.432 -19.983 1.00 2.13 O ATOM 457 CB ILE A 31 8.102 -23.331 -17.247 1.00 43.21 C ATOM 458 CG1 ILE A 31 6.904 -23.655 -16.353 1.00 31.41 C ATOM 459 CG2 ILE A 31 9.396 -23.379 -16.447 1.00 75.42 C ATOM 460 CD1 ILE A 31 6.900 -25.079 -15.840 1.00 43.45 C ATOM 0 H ILE A 31 7.828 -21.231 -15.928 1.00 51.00 H new ATOM 0 HA ILE A 31 8.824 -21.703 -18.465 1.00 14.30 H new ATOM 0 HB ILE A 31 8.156 -24.082 -18.035 1.00 43.21 H new ATOM 0 HG12 ILE A 31 6.899 -22.972 -15.504 1.00 31.41 H new ATOM 0 HG13 ILE A 31 5.985 -23.476 -16.911 1.00 31.41 H new ATOM 0 HG21 ILE A 31 9.507 -24.364 -15.993 1.00 75.42 H new ATOM 0 HG22 ILE A 31 10.240 -23.187 -17.109 1.00 75.42 H new ATOM 0 HG23 ILE A 31 9.369 -22.620 -15.665 1.00 75.42 H new ATOM 0 HD11 ILE A 31 6.022 -25.238 -15.213 1.00 43.45 H new ATOM 0 HD12 ILE A 31 6.873 -25.769 -16.683 1.00 43.45 H new ATOM 0 HD13 ILE A 31 7.801 -25.257 -15.254 1.00 43.45 H new ATOM 472 N ILE A 32 5.582 -21.522 -18.353 1.00 45.13 N ATOM 473 CA ILE A 32 4.364 -21.504 -19.154 1.00 4.24 C ATOM 474 C ILE A 32 4.510 -20.578 -20.356 1.00 45.33 C ATOM 475 O ILE A 32 3.879 -20.784 -21.392 1.00 2.51 O ATOM 476 CB ILE A 32 3.149 -21.056 -18.320 1.00 25.03 C ATOM 477 CG1 ILE A 32 2.968 -21.974 -17.109 1.00 2.10 C ATOM 478 CG2 ILE A 32 1.893 -21.047 -19.177 1.00 52.12 C ATOM 479 CD1 ILE A 32 1.952 -21.464 -16.111 1.00 61.21 C ATOM 0 H ILE A 32 5.472 -21.152 -17.409 1.00 45.13 H new ATOM 0 HA ILE A 32 4.200 -22.524 -19.502 1.00 4.24 H new ATOM 0 HB ILE A 32 3.327 -20.042 -17.961 1.00 25.03 H new ATOM 0 HG12 ILE A 32 2.662 -22.962 -17.454 1.00 2.10 H new ATOM 0 HG13 ILE A 32 3.928 -22.095 -16.608 1.00 2.10 H new ATOM 0 HG21 ILE A 32 1.043 -20.728 -18.574 1.00 52.12 H new ATOM 0 HG22 ILE A 32 2.026 -20.357 -20.010 1.00 52.12 H new ATOM 0 HG23 ILE A 32 1.709 -22.050 -19.563 1.00 52.12 H new ATOM 0 HD11 ILE A 32 1.876 -22.164 -15.279 1.00 61.21 H new ATOM 0 HD12 ILE A 32 2.267 -20.490 -15.737 1.00 61.21 H new ATOM 0 HD13 ILE A 32 0.981 -21.370 -16.596 1.00 61.21 H new ATOM 491 N GLY A 33 5.350 -19.557 -20.212 1.00 12.53 N ATOM 492 CA GLY A 33 5.565 -18.615 -21.294 1.00 45.44 C ATOM 493 C GLY A 33 7.036 -18.343 -21.542 1.00 60.24 C ATOM 494 O GLY A 33 7.748 -17.878 -20.651 1.00 41.25 O ATOM 0 H GLY A 33 5.885 -19.366 -19.365 1.00 12.53 H new ATOM 0 HA2 GLY A 33 5.112 -19.004 -22.206 1.00 45.44 H new ATOM 0 HA3 GLY A 33 5.059 -17.678 -21.062 1.00 45.44 H new ATOM 498 N LEU A 34 7.494 -18.635 -22.755 1.00 34.43 N ATOM 499 CA LEU A 34 8.890 -18.422 -23.117 1.00 43.45 C ATOM 500 C LEU A 34 9.325 -16.996 -22.792 1.00 63.25 C ATOM 501 O LEU A 34 10.293 -16.783 -22.063 1.00 22.41 O ATOM 502 CB LEU A 34 9.100 -18.704 -24.606 1.00 61.11 C ATOM 503 CG LEU A 34 9.276 -20.173 -24.992 1.00 74.13 C ATOM 504 CD1 LEU A 34 8.769 -20.418 -26.405 1.00 54.11 C ATOM 505 CD2 LEU A 34 10.735 -20.586 -24.868 1.00 71.54 C ATOM 0 H LEU A 34 6.918 -19.020 -23.504 1.00 34.43 H new ATOM 0 HA LEU A 34 9.500 -19.111 -22.533 1.00 43.45 H new ATOM 0 HB2 LEU A 34 8.247 -18.304 -25.155 1.00 61.11 H new ATOM 0 HB3 LEU A 34 9.980 -18.154 -24.939 1.00 61.11 H new ATOM 0 HG LEU A 34 8.687 -20.782 -24.306 1.00 74.13 H new ATOM 0 HD11 LEU A 34 8.902 -21.469 -26.662 1.00 54.11 H new ATOM 0 HD12 LEU A 34 7.711 -20.162 -26.461 1.00 54.11 H new ATOM 0 HD13 LEU A 34 9.330 -19.799 -27.105 1.00 54.11 H new ATOM 0 HD21 LEU A 34 10.841 -21.634 -25.147 1.00 71.54 H new ATOM 0 HD22 LEU A 34 11.345 -19.971 -25.530 1.00 71.54 H new ATOM 0 HD23 LEU A 34 11.066 -20.449 -23.838 1.00 71.54 H new ATOM 517 N MET A 35 8.602 -16.024 -23.337 1.00 51.54 N ATOM 518 CA MET A 35 8.911 -14.618 -23.102 1.00 44.02 C ATOM 519 C MET A 35 7.650 -13.835 -22.752 1.00 2.20 C ATOM 520 O MET A 35 6.545 -14.213 -23.140 1.00 52.35 O ATOM 521 CB MET A 35 9.579 -14.007 -24.336 1.00 30.31 C ATOM 522 CG MET A 35 8.891 -14.371 -25.642 1.00 23.33 C ATOM 523 SD MET A 35 9.629 -15.811 -26.438 1.00 25.14 S ATOM 524 CE MET A 35 8.456 -16.107 -27.758 1.00 40.31 C ATOM 0 H MET A 35 7.798 -16.184 -23.944 1.00 51.54 H new ATOM 0 HA MET A 35 9.599 -14.559 -22.259 1.00 44.02 H new ATOM 0 HB2 MET A 35 9.593 -12.922 -24.232 1.00 30.31 H new ATOM 0 HB3 MET A 35 10.617 -14.336 -24.378 1.00 30.31 H new ATOM 0 HG2 MET A 35 7.836 -14.568 -25.450 1.00 23.33 H new ATOM 0 HG3 MET A 35 8.938 -13.521 -26.322 1.00 23.33 H new ATOM 0 HE1 MET A 35 8.776 -16.970 -28.342 1.00 40.31 H new ATOM 0 HE2 MET A 35 7.471 -16.301 -27.333 1.00 40.31 H new ATOM 0 HE3 MET A 35 8.406 -15.230 -28.404 1.00 40.31 H new ATOM 534 N VAL A 36 7.823 -12.742 -22.015 1.00 51.24 N ATOM 535 CA VAL A 36 6.699 -11.905 -21.614 1.00 35.14 C ATOM 536 C VAL A 36 6.702 -10.581 -22.368 1.00 51.54 C ATOM 537 O VAL A 36 7.758 -10.013 -22.643 1.00 3.13 O ATOM 538 CB VAL A 36 6.723 -11.621 -20.100 1.00 1.10 C ATOM 539 CG1 VAL A 36 5.455 -10.898 -19.672 1.00 3.33 C ATOM 540 CG2 VAL A 36 6.899 -12.914 -19.318 1.00 41.03 C ATOM 0 H VAL A 36 8.731 -12.416 -21.684 1.00 51.24 H new ATOM 0 HA VAL A 36 5.791 -12.456 -21.859 1.00 35.14 H new ATOM 0 HB VAL A 36 7.573 -10.974 -19.883 1.00 1.10 H new ATOM 0 HG11 VAL A 36 5.490 -10.706 -18.600 1.00 3.33 H new ATOM 0 HG12 VAL A 36 5.377 -9.952 -20.208 1.00 3.33 H new ATOM 0 HG13 VAL A 36 4.588 -11.517 -19.902 1.00 3.33 H new ATOM 0 HG21 VAL A 36 6.914 -12.694 -18.250 1.00 41.03 H new ATOM 0 HG22 VAL A 36 6.071 -13.588 -19.538 1.00 41.03 H new ATOM 0 HG23 VAL A 36 7.838 -13.387 -19.604 1.00 41.03 H new ATOM 550 N GLY A 37 5.511 -10.092 -22.702 1.00 32.33 N ATOM 551 CA GLY A 37 5.398 -8.837 -23.422 1.00 25.43 C ATOM 552 C GLY A 37 5.994 -7.673 -22.655 1.00 32.55 C ATOM 553 O GLY A 37 6.415 -6.681 -23.247 1.00 14.32 O ATOM 0 H GLY A 37 4.622 -10.543 -22.486 1.00 32.33 H new ATOM 0 HA2 GLY A 37 5.899 -8.928 -24.386 1.00 25.43 H new ATOM 0 HA3 GLY A 37 4.347 -8.633 -23.627 1.00 25.43 H new ATOM 557 N GLY A 38 6.028 -7.795 -21.331 1.00 10.52 N ATOM 558 CA GLY A 38 6.576 -6.736 -20.503 1.00 22.00 C ATOM 559 C GLY A 38 8.065 -6.545 -20.717 1.00 14.13 C ATOM 560 O GLY A 38 8.590 -5.447 -20.531 1.00 60.10 O ATOM 0 H GLY A 38 5.686 -8.607 -20.818 1.00 10.52 H new ATOM 0 HA2 GLY A 38 6.058 -5.802 -20.722 1.00 22.00 H new ATOM 0 HA3 GLY A 38 6.389 -6.966 -19.454 1.00 22.00 H new ATOM 564 N VAL A 39 8.747 -7.617 -21.107 1.00 4.42 N ATOM 565 CA VAL A 39 10.185 -7.562 -21.345 1.00 73.33 C ATOM 566 C VAL A 39 10.488 -7.182 -22.790 1.00 60.43 C ATOM 567 O VAL A 39 11.418 -6.423 -23.062 1.00 24.31 O ATOM 568 CB VAL A 39 10.858 -8.911 -21.029 1.00 34.24 C ATOM 569 CG1 VAL A 39 12.359 -8.825 -21.256 1.00 61.51 C ATOM 570 CG2 VAL A 39 10.550 -9.337 -19.601 1.00 72.41 C ATOM 0 H VAL A 39 8.328 -8.533 -21.265 1.00 4.42 H new ATOM 0 HA VAL A 39 10.587 -6.799 -20.679 1.00 73.33 H new ATOM 0 HB VAL A 39 10.456 -9.666 -21.705 1.00 34.24 H new ATOM 0 HG11 VAL A 39 12.817 -9.787 -21.028 1.00 61.51 H new ATOM 0 HG12 VAL A 39 12.555 -8.567 -22.297 1.00 61.51 H new ATOM 0 HG13 VAL A 39 12.782 -8.059 -20.607 1.00 61.51 H new ATOM 0 HG21 VAL A 39 11.033 -10.292 -19.394 1.00 72.41 H new ATOM 0 HG22 VAL A 39 10.924 -8.583 -18.908 1.00 72.41 H new ATOM 0 HG23 VAL A 39 9.472 -9.441 -19.477 1.00 72.41 H new ATOM 580 N VAL A 40 9.696 -7.715 -23.715 1.00 71.33 N ATOM 581 CA VAL A 40 9.878 -7.431 -25.134 1.00 22.13 C ATOM 582 C VAL A 40 8.536 -7.257 -25.836 1.00 63.21 C ATOM 583 O VAL A 40 7.638 -8.087 -25.696 1.00 22.15 O ATOM 584 CB VAL A 40 10.670 -8.552 -25.833 1.00 41.34 C ATOM 585 CG1 VAL A 40 12.075 -8.652 -25.259 1.00 32.14 C ATOM 586 CG2 VAL A 40 9.938 -9.879 -25.708 1.00 73.21 C ATOM 0 H VAL A 40 8.922 -8.346 -23.507 1.00 71.33 H new ATOM 0 HA VAL A 40 10.443 -6.501 -25.201 1.00 22.13 H new ATOM 0 HB VAL A 40 10.753 -8.308 -26.892 1.00 41.34 H new ATOM 0 HG11 VAL A 40 12.619 -9.449 -25.765 1.00 32.14 H new ATOM 0 HG12 VAL A 40 12.597 -7.706 -25.407 1.00 32.14 H new ATOM 0 HG13 VAL A 40 12.018 -8.872 -24.193 1.00 32.14 H new ATOM 0 HG21 VAL A 40 10.512 -10.660 -26.208 1.00 73.21 H new ATOM 0 HG22 VAL A 40 9.821 -10.132 -24.654 1.00 73.21 H new ATOM 0 HG23 VAL A 40 8.955 -9.798 -26.172 1.00 73.21 H new TER 596 VAL A 40