USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 181 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 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= -0.0291 (180deg=-0.671) USER MOD ----------------------------------------------------------------- ATOM 8 N ILE A 2 2.674 2.585 -1.670 1.00 52.22 N ATOM 9 CA ILE A 2 3.542 3.749 -1.798 1.00 24.25 C ATOM 10 C ILE A 2 4.549 3.562 -2.927 1.00 44.12 C ATOM 11 O ILE A 2 4.493 4.254 -3.944 1.00 63.12 O ATOM 12 CB ILE A 2 4.303 4.030 -0.488 1.00 70.41 C ATOM 13 CG1 ILE A 2 4.461 2.741 0.322 1.00 15.20 C ATOM 14 CG2 ILE A 2 3.579 5.090 0.328 1.00 32.21 C ATOM 15 CD1 ILE A 2 3.244 2.397 1.152 1.00 73.31 C ATOM 0 HA ILE A 2 2.899 4.599 -2.025 1.00 24.25 H new ATOM 0 HB ILE A 2 5.296 4.405 -0.735 1.00 70.41 H new ATOM 0 HG12 ILE A 2 4.671 1.917 -0.359 1.00 15.20 H new ATOM 0 HG13 ILE A 2 5.324 2.838 0.980 1.00 15.20 H new ATOM 0 HG21 ILE A 2 4.129 5.278 1.250 1.00 32.21 H new ATOM 0 HG22 ILE A 2 3.514 6.012 -0.249 1.00 32.21 H new ATOM 0 HG23 ILE A 2 2.575 4.741 0.569 1.00 32.21 H new ATOM 0 HD11 ILE A 2 3.426 1.472 1.699 1.00 73.31 H new ATOM 0 HD12 ILE A 2 3.045 3.203 1.858 1.00 73.31 H new ATOM 0 HD13 ILE A 2 2.382 2.267 0.498 1.00 73.31 H new ATOM 27 N PHE A 3 5.470 2.621 -2.743 1.00 15.13 N ATOM 28 CA PHE A 3 6.490 2.342 -3.747 1.00 35.12 C ATOM 29 C PHE A 3 5.929 1.464 -4.862 1.00 51.20 C ATOM 30 O PHE A 3 6.587 1.235 -5.877 1.00 24.15 O ATOM 31 CB PHE A 3 7.697 1.658 -3.102 1.00 35.32 C ATOM 32 CG PHE A 3 7.868 1.990 -1.647 1.00 54.31 C ATOM 33 CD1 PHE A 3 8.504 3.159 -1.260 1.00 71.14 C ATOM 34 CD2 PHE A 3 7.392 1.135 -0.667 1.00 32.14 C ATOM 35 CE1 PHE A 3 8.663 3.467 0.077 1.00 23.25 C ATOM 36 CE2 PHE A 3 7.548 1.438 0.673 1.00 71.20 C ATOM 37 CZ PHE A 3 8.184 2.606 1.045 1.00 33.03 C ATOM 0 H PHE A 3 5.531 2.039 -1.908 1.00 15.13 H new ATOM 0 HA PHE A 3 6.808 3.291 -4.180 1.00 35.12 H new ATOM 0 HB2 PHE A 3 7.593 0.578 -3.210 1.00 35.32 H new ATOM 0 HB3 PHE A 3 8.599 1.947 -3.641 1.00 35.32 H new ATOM 0 HD1 PHE A 3 8.880 3.837 -2.012 1.00 71.14 H new ATOM 0 HD2 PHE A 3 6.893 0.221 -0.953 1.00 32.14 H new ATOM 0 HE1 PHE A 3 9.162 4.381 0.365 1.00 23.25 H new ATOM 0 HE2 PHE A 3 7.173 0.762 1.428 1.00 71.20 H new ATOM 0 HZ PHE A 3 8.307 2.846 2.091 1.00 33.03 H new ATOM 47 N SER A 4 4.709 0.976 -4.666 1.00 34.55 N ATOM 48 CA SER A 4 4.060 0.119 -5.652 1.00 1.22 C ATOM 49 C SER A 4 2.732 0.719 -6.103 1.00 12.43 C ATOM 50 O SER A 4 1.993 0.111 -6.878 1.00 2.43 O ATOM 51 CB SER A 4 3.831 -1.278 -5.073 1.00 31.30 C ATOM 52 OG SER A 4 3.340 -1.206 -3.746 1.00 34.33 O ATOM 0 H SER A 4 4.149 1.159 -3.833 1.00 34.55 H new ATOM 0 HA SER A 4 4.717 0.042 -6.518 1.00 1.22 H new ATOM 0 HB2 SER A 4 3.122 -1.822 -5.697 1.00 31.30 H new ATOM 0 HB3 SER A 4 4.765 -1.839 -5.088 1.00 31.30 H new ATOM 0 HG SER A 4 3.200 -2.112 -3.399 1.00 34.33 H new ATOM 58 N LYS A 5 2.434 1.917 -5.611 1.00 41.54 N ATOM 59 CA LYS A 5 1.196 2.603 -5.963 1.00 3.11 C ATOM 60 C LYS A 5 0.990 2.613 -7.474 1.00 71.22 C ATOM 61 O LYS A 5 -0.104 2.328 -7.963 1.00 51.05 O ATOM 62 CB LYS A 5 1.215 4.038 -5.431 1.00 30.12 C ATOM 63 CG LYS A 5 2.454 4.819 -5.833 1.00 12.54 C ATOM 64 CD LYS A 5 2.227 5.603 -7.114 1.00 41.53 C ATOM 65 CE LYS A 5 2.579 7.073 -6.938 1.00 73.24 C ATOM 66 NZ LYS A 5 1.538 7.803 -6.164 1.00 13.33 N ATOM 0 H LYS A 5 3.033 2.433 -4.967 1.00 41.54 H new ATOM 0 HA LYS A 5 0.368 2.063 -5.505 1.00 3.11 H new ATOM 0 HB2 LYS A 5 0.331 4.563 -5.794 1.00 30.12 H new ATOM 0 HB3 LYS A 5 1.148 4.014 -4.343 1.00 30.12 H new ATOM 0 HG2 LYS A 5 2.730 5.503 -5.031 1.00 12.54 H new ATOM 0 HG3 LYS A 5 3.290 4.133 -5.969 1.00 12.54 H new ATOM 0 HD2 LYS A 5 2.831 5.176 -7.915 1.00 41.53 H new ATOM 0 HD3 LYS A 5 1.184 5.511 -7.418 1.00 41.53 H new ATOM 0 HE2 LYS A 5 3.538 7.158 -6.427 1.00 73.24 H new ATOM 0 HE3 LYS A 5 2.697 7.538 -7.917 1.00 73.24 H new ATOM 0 HZ1 LYS A 5 1.814 8.801 -6.066 1.00 13.33 H new ATOM 0 HZ2 LYS A 5 0.628 7.743 -6.664 1.00 13.33 H new ATOM 0 HZ3 LYS A 5 1.443 7.376 -5.221 1.00 13.33 H new ATOM 80 N LEU A 6 2.047 2.940 -8.209 1.00 0.52 N ATOM 81 CA LEU A 6 1.982 2.986 -9.666 1.00 22.55 C ATOM 82 C LEU A 6 1.920 1.579 -10.252 1.00 22.34 C ATOM 83 O LEU A 6 1.386 1.372 -11.341 1.00 4.40 O ATOM 84 CB LEU A 6 3.194 3.731 -10.227 1.00 1.32 C ATOM 85 CG LEU A 6 4.564 3.191 -9.816 1.00 22.13 C ATOM 86 CD1 LEU A 6 4.934 1.979 -10.657 1.00 5.30 C ATOM 87 CD2 LEU A 6 5.625 4.275 -9.942 1.00 71.33 C ATOM 0 H LEU A 6 2.960 3.177 -7.820 1.00 0.52 H new ATOM 0 HA LEU A 6 1.074 3.518 -9.948 1.00 22.55 H new ATOM 0 HB2 LEU A 6 3.132 3.717 -11.315 1.00 1.32 H new ATOM 0 HB3 LEU A 6 3.129 4.774 -9.917 1.00 1.32 H new ATOM 0 HG LEU A 6 4.513 2.881 -8.772 1.00 22.13 H new ATOM 0 HD11 LEU A 6 5.912 1.608 -10.350 1.00 5.30 H new ATOM 0 HD12 LEU A 6 4.189 1.196 -10.515 1.00 5.30 H new ATOM 0 HD13 LEU A 6 4.967 2.262 -11.709 1.00 5.30 H new ATOM 0 HD21 LEU A 6 6.593 3.872 -9.645 1.00 71.33 H new ATOM 0 HD22 LEU A 6 5.675 4.616 -10.976 1.00 71.33 H new ATOM 0 HD23 LEU A 6 5.367 5.114 -9.295 1.00 71.33 H new ATOM 99 N ALA A 7 2.468 0.614 -9.520 1.00 61.20 N ATOM 100 CA ALA A 7 2.471 -0.774 -9.965 1.00 64.12 C ATOM 101 C ALA A 7 1.088 -1.400 -9.822 1.00 2.14 C ATOM 102 O ALA A 7 0.641 -2.147 -10.690 1.00 61.44 O ATOM 103 CB ALA A 7 3.500 -1.577 -9.183 1.00 31.04 C ATOM 0 H ALA A 7 2.915 0.768 -8.616 1.00 61.20 H new ATOM 0 HA ALA A 7 2.740 -0.790 -11.021 1.00 64.12 H new ATOM 0 HB1 ALA A 7 3.491 -2.612 -9.526 1.00 31.04 H new ATOM 0 HB2 ALA A 7 4.491 -1.151 -9.341 1.00 31.04 H new ATOM 0 HB3 ALA A 7 3.256 -1.545 -8.121 1.00 31.04 H new ATOM 109 N GLY A 8 0.415 -1.090 -8.718 1.00 12.42 N ATOM 110 CA GLY A 8 -0.910 -1.631 -8.480 1.00 75.15 C ATOM 111 C GLY A 8 -1.991 -0.864 -9.217 1.00 3.23 C ATOM 112 O GLY A 8 -3.090 -1.375 -9.431 1.00 60.22 O ATOM 0 H GLY A 8 0.764 -0.474 -7.984 1.00 12.42 H new ATOM 0 HA2 GLY A 8 -0.934 -2.675 -8.791 1.00 75.15 H new ATOM 0 HA3 GLY A 8 -1.120 -1.612 -7.411 1.00 75.15 H new ATOM 116 N LYS A 9 -1.679 0.368 -9.604 1.00 53.40 N ATOM 117 CA LYS A 9 -2.631 1.209 -10.320 1.00 51.33 C ATOM 118 C LYS A 9 -2.669 0.848 -11.802 1.00 33.23 C ATOM 119 O LYS A 9 -3.740 0.771 -12.405 1.00 64.33 O ATOM 120 CB LYS A 9 -2.264 2.686 -10.154 1.00 75.20 C ATOM 121 CG LYS A 9 -2.986 3.605 -11.124 1.00 72.34 C ATOM 122 CD LYS A 9 -4.467 3.273 -11.210 1.00 3.41 C ATOM 123 CE LYS A 9 -5.324 4.527 -11.128 1.00 11.01 C ATOM 124 NZ LYS A 9 -5.751 4.996 -12.475 1.00 50.03 N ATOM 0 H LYS A 9 -0.774 0.807 -9.434 1.00 53.40 H new ATOM 0 HA LYS A 9 -3.620 1.036 -9.896 1.00 51.33 H new ATOM 0 HB2 LYS A 9 -2.493 2.996 -9.134 1.00 75.20 H new ATOM 0 HB3 LYS A 9 -1.189 2.802 -10.289 1.00 75.20 H new ATOM 0 HG2 LYS A 9 -2.862 4.640 -10.806 1.00 72.34 H new ATOM 0 HG3 LYS A 9 -2.535 3.519 -12.113 1.00 72.34 H new ATOM 0 HD2 LYS A 9 -4.671 2.752 -12.146 1.00 3.41 H new ATOM 0 HD3 LYS A 9 -4.736 2.593 -10.402 1.00 3.41 H new ATOM 0 HE2 LYS A 9 -6.204 4.326 -10.518 1.00 11.01 H new ATOM 0 HE3 LYS A 9 -4.764 5.318 -10.629 1.00 11.01 H new ATOM 0 HZ1 LYS A 9 -6.333 5.852 -12.376 1.00 50.03 H new ATOM 0 HZ2 LYS A 9 -4.912 5.212 -13.050 1.00 50.03 H new ATOM 0 HZ3 LYS A 9 -6.307 4.251 -12.942 1.00 50.03 H new ATOM 138 N LYS A 10 -1.495 0.625 -12.382 1.00 40.52 N ATOM 139 CA LYS A 10 -1.393 0.269 -13.792 1.00 53.03 C ATOM 140 C LYS A 10 -2.122 -1.040 -14.076 1.00 74.35 C ATOM 141 O LYS A 10 -2.943 -1.118 -14.991 1.00 72.51 O ATOM 142 CB LYS A 10 0.076 0.147 -14.204 1.00 75.01 C ATOM 143 CG LYS A 10 0.284 -0.638 -15.488 1.00 2.32 C ATOM 144 CD LYS A 10 -0.554 -0.079 -16.625 1.00 70.14 C ATOM 145 CE LYS A 10 0.294 0.202 -17.856 1.00 51.44 C ATOM 146 NZ LYS A 10 0.910 1.557 -17.808 1.00 12.33 N ATOM 0 H LYS A 10 -0.600 0.685 -11.897 1.00 40.52 H new ATOM 0 HA LYS A 10 -1.863 1.061 -14.376 1.00 53.03 H new ATOM 0 HB2 LYS A 10 0.494 1.146 -14.327 1.00 75.01 H new ATOM 0 HB3 LYS A 10 0.632 -0.335 -13.399 1.00 75.01 H new ATOM 0 HG2 LYS A 10 1.338 -0.612 -15.765 1.00 2.32 H new ATOM 0 HG3 LYS A 10 0.024 -1.683 -15.323 1.00 2.32 H new ATOM 0 HD2 LYS A 10 -1.343 -0.787 -16.879 1.00 70.14 H new ATOM 0 HD3 LYS A 10 -1.043 0.840 -16.301 1.00 70.14 H new ATOM 0 HE2 LYS A 10 1.078 -0.551 -17.936 1.00 51.44 H new ATOM 0 HE3 LYS A 10 -0.324 0.115 -18.750 1.00 51.44 H new ATOM 0 HZ1 LYS A 10 1.480 1.710 -18.665 1.00 12.33 H new ATOM 0 HZ2 LYS A 10 0.161 2.277 -17.757 1.00 12.33 H new ATOM 0 HZ3 LYS A 10 1.520 1.632 -16.969 1.00 12.33 H new ATOM 160 N ILE A 11 -1.818 -2.065 -13.287 1.00 15.21 N ATOM 161 CA ILE A 11 -2.447 -3.369 -13.453 1.00 33.32 C ATOM 162 C ILE A 11 -3.967 -3.258 -13.400 1.00 12.30 C ATOM 163 O ILE A 11 -4.680 -4.027 -14.044 1.00 74.31 O ATOM 164 CB ILE A 11 -1.979 -4.362 -12.372 1.00 42.42 C ATOM 165 CG1 ILE A 11 -2.450 -3.904 -10.990 1.00 61.32 C ATOM 166 CG2 ILE A 11 -0.464 -4.501 -12.402 1.00 71.21 C ATOM 167 CD1 ILE A 11 -3.656 -4.663 -10.481 1.00 44.21 C ATOM 0 H ILE A 11 -1.140 -2.017 -12.527 1.00 15.21 H new ATOM 0 HA ILE A 11 -2.146 -3.741 -14.432 1.00 33.32 H new ATOM 0 HB ILE A 11 -2.418 -5.338 -12.580 1.00 42.42 H new ATOM 0 HG12 ILE A 11 -1.632 -4.019 -10.279 1.00 61.32 H new ATOM 0 HG13 ILE A 11 -2.690 -2.841 -11.030 1.00 61.32 H new ATOM 0 HG21 ILE A 11 -0.148 -5.206 -11.633 1.00 71.21 H new ATOM 0 HG22 ILE A 11 -0.152 -4.867 -13.380 1.00 71.21 H new ATOM 0 HG23 ILE A 11 -0.006 -3.530 -12.215 1.00 71.21 H new ATOM 0 HD11 ILE A 11 -3.935 -4.286 -9.497 1.00 44.21 H new ATOM 0 HD12 ILE A 11 -4.489 -4.527 -11.171 1.00 44.21 H new ATOM 0 HD13 ILE A 11 -3.414 -5.723 -10.408 1.00 44.21 H new ATOM 179 N LYS A 12 -4.458 -2.293 -12.629 1.00 45.34 N ATOM 180 CA LYS A 12 -5.893 -2.076 -12.494 1.00 31.43 C ATOM 181 C LYS A 12 -6.390 -1.061 -13.518 1.00 5.00 C ATOM 182 O LYS A 12 -7.592 -0.922 -13.735 1.00 14.21 O ATOM 183 CB LYS A 12 -6.226 -1.595 -11.080 1.00 3.43 C ATOM 184 CG LYS A 12 -7.693 -1.744 -10.715 1.00 64.35 C ATOM 185 CD LYS A 12 -8.474 -0.476 -11.016 1.00 21.13 C ATOM 186 CE LYS A 12 -8.905 0.228 -9.738 1.00 40.55 C ATOM 187 NZ LYS A 12 -9.530 1.551 -10.018 1.00 72.34 N ATOM 0 H LYS A 12 -3.882 -1.648 -12.088 1.00 45.34 H new ATOM 0 HA LYS A 12 -6.397 -3.025 -12.677 1.00 31.43 H new ATOM 0 HB2 LYS A 12 -5.624 -2.154 -10.364 1.00 3.43 H new ATOM 0 HB3 LYS A 12 -5.942 -0.547 -10.986 1.00 3.43 H new ATOM 0 HG2 LYS A 12 -8.124 -2.578 -11.269 1.00 64.35 H new ATOM 0 HG3 LYS A 12 -7.783 -1.985 -9.656 1.00 64.35 H new ATOM 0 HD2 LYS A 12 -7.861 0.197 -11.615 1.00 21.13 H new ATOM 0 HD3 LYS A 12 -9.353 -0.721 -11.612 1.00 21.13 H new ATOM 0 HE2 LYS A 12 -9.612 -0.401 -9.198 1.00 40.55 H new ATOM 0 HE3 LYS A 12 -8.040 0.365 -9.089 1.00 40.55 H new ATOM 0 HZ1 LYS A 12 -9.810 1.999 -9.122 1.00 72.34 H new ATOM 0 HZ2 LYS A 12 -8.847 2.160 -10.511 1.00 72.34 H new ATOM 0 HZ3 LYS A 12 -10.370 1.418 -10.616 1.00 72.34 H new ATOM 201 N ASN A 13 -5.455 -0.355 -14.146 1.00 4.03 N ATOM 202 CA ASN A 13 -5.798 0.647 -15.148 1.00 41.12 C ATOM 203 C ASN A 13 -6.704 0.054 -16.223 1.00 31.54 C ATOM 204 O ASN A 13 -7.449 0.773 -16.889 1.00 13.20 O ATOM 205 CB ASN A 13 -4.529 1.212 -15.790 1.00 71.23 C ATOM 206 CG ASN A 13 -4.817 2.391 -16.700 1.00 21.32 C ATOM 207 OD1 ASN A 13 -5.073 3.501 -16.233 1.00 64.13 O ATOM 208 ND2 ASN A 13 -4.777 2.154 -18.006 1.00 23.22 N ATOM 0 H ASN A 13 -4.454 -0.459 -13.978 1.00 4.03 H new ATOM 0 HA ASN A 13 -6.335 1.454 -14.649 1.00 41.12 H new ATOM 0 HB2 ASN A 13 -3.836 1.521 -15.008 1.00 71.23 H new ATOM 0 HB3 ASN A 13 -4.034 0.427 -16.362 1.00 71.23 H new ATOM 0 HD21 ASN A 13 -4.963 2.908 -18.667 1.00 23.22 H new ATOM 0 HD22 ASN A 13 -4.560 1.218 -18.348 1.00 23.22 H new ATOM 215 N LEU A 14 -6.636 -1.263 -16.385 1.00 65.12 N ATOM 216 CA LEU A 14 -7.450 -1.955 -17.378 1.00 51.12 C ATOM 217 C LEU A 14 -8.932 -1.859 -17.029 1.00 61.22 C ATOM 218 O LEU A 14 -9.781 -1.718 -17.911 1.00 4.02 O ATOM 219 CB LEU A 14 -7.032 -3.423 -17.477 1.00 45.20 C ATOM 220 CG LEU A 14 -7.781 -4.267 -18.509 1.00 11.52 C ATOM 221 CD1 LEU A 14 -7.907 -3.514 -19.824 1.00 50.41 C ATOM 222 CD2 LEU A 14 -7.078 -5.599 -18.720 1.00 62.33 C ATOM 0 H LEU A 14 -6.025 -1.873 -15.841 1.00 65.12 H new ATOM 0 HA LEU A 14 -7.290 -1.473 -18.342 1.00 51.12 H new ATOM 0 HB2 LEU A 14 -5.968 -3.462 -17.709 1.00 45.20 H new ATOM 0 HB3 LEU A 14 -7.162 -3.884 -16.498 1.00 45.20 H new ATOM 0 HG LEU A 14 -8.784 -4.465 -18.130 1.00 11.52 H new ATOM 0 HD11 LEU A 14 -8.443 -4.130 -20.546 1.00 50.41 H new ATOM 0 HD12 LEU A 14 -8.455 -2.586 -19.661 1.00 50.41 H new ATOM 0 HD13 LEU A 14 -6.913 -3.285 -20.209 1.00 50.41 H new ATOM 0 HD21 LEU A 14 -7.625 -6.186 -19.458 1.00 62.33 H new ATOM 0 HD22 LEU A 14 -6.063 -5.422 -19.077 1.00 62.33 H new ATOM 0 HD23 LEU A 14 -7.041 -6.144 -17.777 1.00 62.33 H new ATOM 234 N LEU A 15 -9.236 -1.935 -15.738 1.00 53.24 N ATOM 235 CA LEU A 15 -10.616 -1.854 -15.272 1.00 32.43 C ATOM 236 C LEU A 15 -11.222 -0.492 -15.595 1.00 22.32 C ATOM 237 O LEU A 15 -12.315 -0.405 -16.155 1.00 31.34 O ATOM 238 CB LEU A 15 -10.681 -2.110 -13.765 1.00 14.31 C ATOM 239 CG LEU A 15 -12.055 -2.483 -13.206 1.00 62.53 C ATOM 240 CD1 LEU A 15 -12.594 -3.724 -13.901 1.00 20.31 C ATOM 241 CD2 LEU A 15 -11.977 -2.703 -11.702 1.00 72.15 C ATOM 0 H LEU A 15 -8.546 -2.052 -14.996 1.00 53.24 H new ATOM 0 HA LEU A 15 -11.194 -2.619 -15.790 1.00 32.43 H new ATOM 0 HB2 LEU A 15 -9.983 -2.911 -13.522 1.00 14.31 H new ATOM 0 HB3 LEU A 15 -10.332 -1.215 -13.249 1.00 14.31 H new ATOM 0 HG LEU A 15 -12.741 -1.657 -13.397 1.00 62.53 H new ATOM 0 HD11 LEU A 15 -13.572 -3.975 -13.491 1.00 20.31 H new ATOM 0 HD12 LEU A 15 -12.687 -3.531 -14.970 1.00 20.31 H new ATOM 0 HD13 LEU A 15 -11.909 -4.557 -13.741 1.00 20.31 H new ATOM 0 HD21 LEU A 15 -12.964 -2.968 -11.321 1.00 72.15 H new ATOM 0 HD22 LEU A 15 -11.277 -3.511 -11.488 1.00 72.15 H new ATOM 0 HD23 LEU A 15 -11.635 -1.788 -11.218 1.00 72.15 H new ATOM 253 N ILE A 16 -10.503 0.568 -15.241 1.00 34.15 N ATOM 254 CA ILE A 16 -10.969 1.925 -15.496 1.00 42.40 C ATOM 255 C ILE A 16 -10.998 2.224 -16.991 1.00 51.21 C ATOM 256 O ILE A 16 -11.716 3.116 -17.442 1.00 52.42 O ATOM 257 CB ILE A 16 -10.079 2.967 -14.793 1.00 43.31 C ATOM 258 CG1 ILE A 16 -10.542 4.383 -15.140 1.00 15.51 C ATOM 259 CG2 ILE A 16 -8.622 2.770 -15.185 1.00 41.21 C ATOM 260 CD1 ILE A 16 -12.021 4.607 -14.914 1.00 54.23 C ATOM 0 H ILE A 16 -9.596 0.513 -14.777 1.00 34.15 H new ATOM 0 HA ILE A 16 -11.980 1.992 -15.094 1.00 42.40 H new ATOM 0 HB ILE A 16 -10.167 2.830 -13.715 1.00 43.31 H new ATOM 0 HG12 ILE A 16 -9.979 5.098 -14.540 1.00 15.51 H new ATOM 0 HG13 ILE A 16 -10.307 4.588 -16.185 1.00 15.51 H new ATOM 0 HG21 ILE A 16 -8.006 3.514 -14.680 1.00 41.21 H new ATOM 0 HG22 ILE A 16 -8.298 1.771 -14.892 1.00 41.21 H new ATOM 0 HG23 ILE A 16 -8.517 2.884 -16.264 1.00 41.21 H new ATOM 0 HD11 ILE A 16 -12.279 5.632 -15.181 1.00 54.23 H new ATOM 0 HD12 ILE A 16 -12.593 3.916 -15.534 1.00 54.23 H new ATOM 0 HD13 ILE A 16 -12.259 4.434 -13.864 1.00 54.23 H new ATOM 272 N SER A 17 -10.214 1.470 -17.755 1.00 41.51 N ATOM 273 CA SER A 17 -10.148 1.656 -19.200 1.00 72.41 C ATOM 274 C SER A 17 -11.261 0.880 -19.898 1.00 55.42 C ATOM 275 O SER A 17 -11.826 1.340 -20.890 1.00 44.12 O ATOM 276 CB SER A 17 -8.786 1.205 -19.732 1.00 34.22 C ATOM 277 OG SER A 17 -7.851 2.269 -19.706 1.00 20.14 O ATOM 0 H SER A 17 -9.616 0.725 -17.398 1.00 41.51 H new ATOM 0 HA SER A 17 -10.280 2.717 -19.412 1.00 72.41 H new ATOM 0 HB2 SER A 17 -8.414 0.375 -19.131 1.00 34.22 H new ATOM 0 HB3 SER A 17 -8.894 0.837 -20.752 1.00 34.22 H new ATOM 0 HG SER A 17 -6.988 1.955 -20.049 1.00 20.14 H new ATOM 283 N GLY A 18 -11.572 -0.300 -19.371 1.00 74.35 N ATOM 284 CA GLY A 18 -12.616 -1.122 -19.956 1.00 13.40 C ATOM 285 C GLY A 18 -13.974 -0.862 -19.335 1.00 14.31 C ATOM 286 O GLY A 18 -14.983 -1.416 -19.774 1.00 41.25 O ATOM 0 H GLY A 18 -11.120 -0.702 -18.550 1.00 74.35 H new ATOM 0 HA2 GLY A 18 -12.667 -0.931 -21.028 1.00 13.40 H new ATOM 0 HA3 GLY A 18 -12.358 -2.174 -19.832 1.00 13.40 H new ATOM 290 N LEU A 19 -14.002 -0.018 -18.309 1.00 73.11 N ATOM 291 CA LEU A 19 -15.247 0.313 -17.625 1.00 13.33 C ATOM 292 C LEU A 19 -15.996 1.420 -18.361 1.00 63.30 C ATOM 293 O LEU A 19 -17.222 1.391 -18.467 1.00 61.43 O ATOM 294 CB LEU A 19 -14.962 0.746 -16.185 1.00 65.35 C ATOM 295 CG LEU A 19 -16.145 1.328 -15.412 1.00 32.41 C ATOM 296 CD1 LEU A 19 -17.143 0.235 -15.061 1.00 23.41 C ATOM 297 CD2 LEU A 19 -15.664 2.037 -14.154 1.00 62.35 C ATOM 0 H LEU A 19 -13.177 0.449 -17.933 1.00 73.11 H new ATOM 0 HA LEU A 19 -15.873 -0.579 -17.613 1.00 13.33 H new ATOM 0 HB2 LEU A 19 -14.584 -0.116 -15.636 1.00 65.35 H new ATOM 0 HB3 LEU A 19 -14.164 1.488 -16.201 1.00 65.35 H new ATOM 0 HG LEU A 19 -16.645 2.058 -16.048 1.00 32.41 H new ATOM 0 HD11 LEU A 19 -17.978 0.668 -14.511 1.00 23.41 H new ATOM 0 HD12 LEU A 19 -17.512 -0.228 -15.976 1.00 23.41 H new ATOM 0 HD13 LEU A 19 -16.655 -0.519 -14.444 1.00 23.41 H new ATOM 0 HD21 LEU A 19 -16.520 2.445 -13.616 1.00 62.35 H new ATOM 0 HD22 LEU A 19 -15.139 1.327 -13.515 1.00 62.35 H new ATOM 0 HD23 LEU A 19 -14.988 2.847 -14.429 1.00 62.35 H new ATOM 309 N LYS A 20 -15.249 2.394 -18.870 1.00 55.03 N ATOM 310 CA LYS A 20 -15.841 3.509 -19.600 1.00 45.15 C ATOM 311 C LYS A 20 -15.619 3.355 -21.102 1.00 21.03 C ATOM 312 O LYS A 20 -16.282 4.007 -21.907 1.00 75.41 O ATOM 313 CB LYS A 20 -15.244 4.834 -19.120 1.00 20.14 C ATOM 314 CG LYS A 20 -13.835 5.086 -19.626 1.00 65.14 C ATOM 315 CD LYS A 20 -12.910 5.531 -18.506 1.00 12.43 C ATOM 316 CE LYS A 20 -13.117 6.999 -18.163 1.00 33.45 C ATOM 317 NZ LYS A 20 -13.947 7.170 -16.938 1.00 4.14 N ATOM 0 H LYS A 20 -14.233 2.434 -18.790 1.00 55.03 H new ATOM 0 HA LYS A 20 -16.914 3.509 -19.406 1.00 45.15 H new ATOM 0 HB2 LYS A 20 -15.889 5.651 -19.443 1.00 20.14 H new ATOM 0 HB3 LYS A 20 -15.237 4.846 -18.030 1.00 20.14 H new ATOM 0 HG2 LYS A 20 -13.444 4.177 -20.082 1.00 65.14 H new ATOM 0 HG3 LYS A 20 -13.858 5.849 -20.404 1.00 65.14 H new ATOM 0 HD2 LYS A 20 -13.089 4.921 -17.621 1.00 12.43 H new ATOM 0 HD3 LYS A 20 -11.874 5.368 -18.802 1.00 12.43 H new ATOM 0 HE2 LYS A 20 -12.149 7.478 -18.016 1.00 33.45 H new ATOM 0 HE3 LYS A 20 -13.598 7.504 -19.001 1.00 33.45 H new ATOM 0 HZ1 LYS A 20 -14.713 7.847 -17.129 1.00 4.14 H new ATOM 0 HZ2 LYS A 20 -14.355 6.253 -16.664 1.00 4.14 H new ATOM 0 HZ3 LYS A 20 -13.353 7.529 -16.164 1.00 4.14 H new ATOM 331 N GLY A 21 -14.682 2.487 -21.471 1.00 61.22 N ATOM 332 CA GLY A 21 -14.391 2.262 -22.875 1.00 51.11 C ATOM 333 C GLY A 21 -15.291 1.210 -23.492 1.00 63.33 C ATOM 334 O GLY A 21 -14.846 0.407 -24.312 1.00 63.51 O ATOM 0 H GLY A 21 -14.119 1.936 -20.823 1.00 61.22 H new ATOM 0 HA2 GLY A 21 -14.505 3.198 -23.421 1.00 51.11 H new ATOM 0 HA3 GLY A 21 -13.351 1.954 -22.983 1.00 51.11 H new