USER MOD reduce.3.24.130724 H: found=0, std=0, add=310, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 280 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 2 SER OG : rot 54:sc= 0.721 USER MOD Single : A 3 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.8) USER MOD Single : A 4 LYS NZ :NH3+ -111:sc= -0.402 (180deg=-2.68!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.442 K(o=-0.44,f=-8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 67:sc= 1.33 USER MOD Single : A 36 THR OG1 : rot -4:sc= -0.449 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 9.586 -8.959 -7.381 1.00 3.53 N ATOM 9 CA SER A 2 9.860 -7.579 -7.769 1.00 63.32 C ATOM 10 C SER A 2 10.630 -6.849 -6.673 1.00 74.34 C ATOM 11 O SER A 2 10.040 -6.177 -5.827 1.00 43.10 O ATOM 12 CB SER A 2 8.552 -6.842 -8.065 1.00 34.10 C ATOM 13 OG SER A 2 7.692 -6.855 -6.939 1.00 52.42 O ATOM 0 HA SER A 2 10.473 -7.596 -8.670 1.00 63.32 H new ATOM 0 HB2 SER A 2 8.768 -5.812 -8.350 1.00 34.10 H new ATOM 0 HB3 SER A 2 8.052 -7.309 -8.914 1.00 34.10 H new ATOM 0 HG SER A 2 8.169 -6.501 -6.159 1.00 52.42 H new ATOM 18 N GLN A 3 11.952 -6.988 -6.694 1.00 62.20 N ATOM 19 CA GLN A 3 12.803 -6.342 -5.702 1.00 75.45 C ATOM 20 C GLN A 3 14.039 -5.737 -6.358 1.00 11.42 C ATOM 21 O GLN A 3 15.121 -5.717 -5.770 1.00 51.02 O ATOM 22 CB GLN A 3 13.222 -7.348 -4.628 1.00 13.15 C ATOM 23 CG GLN A 3 13.683 -8.682 -5.190 1.00 34.32 C ATOM 24 CD GLN A 3 14.964 -8.567 -5.993 1.00 32.11 C ATOM 25 OE1 GLN A 3 14.957 -8.703 -7.218 1.00 43.33 O ATOM 26 NE2 GLN A 3 16.072 -8.315 -5.307 1.00 75.11 N ATOM 0 H GLN A 3 12.456 -7.542 -7.387 1.00 62.20 H new ATOM 0 HA GLN A 3 12.232 -5.539 -5.236 1.00 75.45 H new ATOM 0 HB2 GLN A 3 14.027 -6.917 -4.032 1.00 13.15 H new ATOM 0 HB3 GLN A 3 12.382 -7.518 -3.954 1.00 13.15 H new ATOM 0 HG2 GLN A 3 13.835 -9.384 -4.370 1.00 34.32 H new ATOM 0 HG3 GLN A 3 12.898 -9.096 -5.823 1.00 34.32 H new ATOM 0 HE21 GLN A 3 16.031 -8.210 -4.293 1.00 75.11 H new ATOM 0 HE22 GLN A 3 16.964 -8.226 -5.794 1.00 75.11 H new ATOM 33 N LYS A 4 13.872 -5.242 -7.580 1.00 43.24 N ATOM 34 CA LYS A 4 14.974 -4.633 -8.317 1.00 64.42 C ATOM 35 C LYS A 4 14.845 -3.113 -8.330 1.00 34.33 C ATOM 36 O LYS A 4 15.762 -2.399 -7.926 1.00 5.41 O ATOM 37 CB LYS A 4 15.011 -5.166 -9.750 1.00 2.13 C ATOM 38 CG LYS A 4 15.881 -6.400 -9.919 1.00 2.41 C ATOM 39 CD LYS A 4 17.303 -6.030 -10.307 1.00 4.11 C ATOM 40 CE LYS A 4 18.085 -5.496 -9.115 1.00 12.03 C ATOM 41 NZ LYS A 4 17.967 -4.017 -8.993 1.00 15.41 N ATOM 0 H LYS A 4 12.984 -5.251 -8.081 1.00 43.24 H new ATOM 0 HA LYS A 4 15.905 -4.896 -7.815 1.00 64.42 H new ATOM 0 HB2 LYS A 4 13.995 -5.402 -10.067 1.00 2.13 H new ATOM 0 HB3 LYS A 4 15.377 -4.381 -10.411 1.00 2.13 H new ATOM 0 HG2 LYS A 4 15.893 -6.968 -8.989 1.00 2.41 H new ATOM 0 HG3 LYS A 4 15.451 -7.048 -10.683 1.00 2.41 H new ATOM 0 HD2 LYS A 4 17.810 -6.905 -10.714 1.00 4.11 H new ATOM 0 HD3 LYS A 4 17.282 -5.278 -11.096 1.00 4.11 H new ATOM 0 HE2 LYS A 4 17.721 -5.966 -8.202 1.00 12.03 H new ATOM 0 HE3 LYS A 4 19.135 -5.769 -9.217 1.00 12.03 H new ATOM 0 HZ1 LYS A 4 18.884 -3.576 -9.210 1.00 15.41 H new ATOM 0 HZ2 LYS A 4 17.249 -3.670 -9.661 1.00 15.41 H new ATOM 0 HZ3 LYS A 4 17.686 -3.770 -8.023 1.00 15.41 H new ATOM 51 N LEU A 5 13.702 -2.626 -8.798 1.00 64.53 N ATOM 52 CA LEU A 5 13.452 -1.190 -8.863 1.00 30.20 C ATOM 53 C LEU A 5 13.655 -0.540 -7.499 1.00 4.41 C ATOM 54 O LEU A 5 13.989 0.642 -7.406 1.00 2.23 O ATOM 55 CB LEU A 5 12.030 -0.921 -9.363 1.00 55.34 C ATOM 56 CG LEU A 5 11.821 0.392 -10.116 1.00 41.43 C ATOM 57 CD1 LEU A 5 12.471 0.330 -11.489 1.00 53.22 C ATOM 58 CD2 LEU A 5 10.337 0.705 -10.241 1.00 43.43 C ATOM 0 H LEU A 5 12.933 -3.204 -9.138 1.00 64.53 H new ATOM 0 HA LEU A 5 14.165 -0.754 -9.563 1.00 30.20 H new ATOM 0 HB2 LEU A 5 11.735 -1.742 -10.016 1.00 55.34 H new ATOM 0 HB3 LEU A 5 11.356 -0.937 -8.506 1.00 55.34 H new ATOM 0 HG LEU A 5 12.295 1.193 -9.548 1.00 41.43 H new ATOM 0 HD11 LEU A 5 12.311 1.274 -12.010 1.00 53.22 H new ATOM 0 HD12 LEU A 5 13.541 0.153 -11.377 1.00 53.22 H new ATOM 0 HD13 LEU A 5 12.027 -0.482 -12.065 1.00 53.22 H new ATOM 0 HD21 LEU A 5 10.207 1.644 -10.780 1.00 43.43 H new ATOM 0 HD22 LEU A 5 9.840 -0.098 -10.786 1.00 43.43 H new ATOM 0 HD23 LEU A 5 9.899 0.794 -9.247 1.00 43.43 H new ATOM 69 N VAL A 6 13.453 -1.319 -6.441 1.00 2.50 N ATOM 70 CA VAL A 6 13.618 -0.819 -5.081 1.00 70.50 C ATOM 71 C VAL A 6 15.037 -0.315 -4.848 1.00 22.25 C ATOM 72 O VAL A 6 15.241 0.757 -4.276 1.00 34.45 O ATOM 73 CB VAL A 6 13.295 -1.909 -4.041 1.00 1.12 C ATOM 74 CG1 VAL A 6 13.294 -1.323 -2.637 1.00 31.11 C ATOM 75 CG2 VAL A 6 11.958 -2.565 -4.354 1.00 0.43 C ATOM 0 H VAL A 6 13.175 -2.299 -6.499 1.00 2.50 H new ATOM 0 HA VAL A 6 12.918 0.008 -4.961 1.00 70.50 H new ATOM 0 HB VAL A 6 14.070 -2.674 -4.090 1.00 1.12 H new ATOM 0 HG11 VAL A 6 13.064 -2.107 -1.916 1.00 31.11 H new ATOM 0 HG12 VAL A 6 14.276 -0.904 -2.417 1.00 31.11 H new ATOM 0 HG13 VAL A 6 12.541 -0.537 -2.571 1.00 31.11 H new ATOM 0 HG21 VAL A 6 11.746 -3.332 -3.609 1.00 0.43 H new ATOM 0 HG22 VAL A 6 11.170 -1.812 -4.334 1.00 0.43 H new ATOM 0 HG23 VAL A 6 11.999 -3.021 -5.343 1.00 0.43 H new ATOM 85 N PHE A 7 16.017 -1.093 -5.297 1.00 63.41 N ATOM 86 CA PHE A 7 17.419 -0.726 -5.137 1.00 25.12 C ATOM 87 C PHE A 7 17.699 0.634 -5.771 1.00 12.54 C ATOM 88 O PHE A 7 18.379 1.476 -5.184 1.00 2.43 O ATOM 89 CB PHE A 7 18.321 -1.789 -5.764 1.00 74.31 C ATOM 90 CG PHE A 7 19.786 -1.478 -5.647 1.00 52.12 C ATOM 91 CD1 PHE A 7 20.428 -1.553 -4.421 1.00 30.24 C ATOM 92 CD2 PHE A 7 20.521 -1.110 -6.762 1.00 70.20 C ATOM 93 CE1 PHE A 7 21.775 -1.268 -4.310 1.00 3.20 C ATOM 94 CE2 PHE A 7 21.869 -0.824 -6.657 1.00 64.23 C ATOM 95 CZ PHE A 7 22.497 -0.901 -5.429 1.00 75.35 C ATOM 0 H PHE A 7 15.866 -1.982 -5.774 1.00 63.41 H new ATOM 0 HA PHE A 7 17.633 -0.662 -4.070 1.00 25.12 H new ATOM 0 HB2 PHE A 7 18.123 -2.749 -5.288 1.00 74.31 H new ATOM 0 HB3 PHE A 7 18.064 -1.897 -6.818 1.00 74.31 H new ATOM 0 HD1 PHE A 7 19.869 -1.838 -3.542 1.00 30.24 H new ATOM 0 HD2 PHE A 7 20.035 -1.046 -7.724 1.00 70.20 H new ATOM 0 HE1 PHE A 7 22.263 -1.332 -3.349 1.00 3.20 H new ATOM 0 HE2 PHE A 7 22.431 -0.540 -7.535 1.00 64.23 H new ATOM 0 HZ PHE A 7 23.550 -0.675 -5.344 1.00 75.35 H new ATOM 104 N PHE A 8 17.173 0.839 -6.974 1.00 3.43 N ATOM 105 CA PHE A 8 17.368 2.095 -7.690 1.00 55.04 C ATOM 106 C PHE A 8 16.642 3.239 -6.988 1.00 11.31 C ATOM 107 O PHE A 8 17.189 4.330 -6.829 1.00 74.24 O ATOM 108 CB PHE A 8 16.871 1.967 -9.131 1.00 64.42 C ATOM 109 CG PHE A 8 17.721 1.067 -9.982 1.00 4.43 C ATOM 110 CD1 PHE A 8 19.039 1.394 -10.255 1.00 41.52 C ATOM 111 CD2 PHE A 8 17.201 -0.104 -10.508 1.00 13.41 C ATOM 112 CE1 PHE A 8 19.825 0.568 -11.038 1.00 45.20 C ATOM 113 CE2 PHE A 8 17.983 -0.934 -11.291 1.00 24.13 C ATOM 114 CZ PHE A 8 19.295 -0.596 -11.556 1.00 14.13 C ATOM 0 H PHE A 8 16.609 0.152 -7.474 1.00 3.43 H new ATOM 0 HA PHE A 8 18.435 2.318 -7.700 1.00 55.04 H new ATOM 0 HB2 PHE A 8 15.850 1.586 -9.122 1.00 64.42 H new ATOM 0 HB3 PHE A 8 16.838 2.958 -9.585 1.00 64.42 H new ATOM 0 HD1 PHE A 8 19.458 2.304 -9.852 1.00 41.52 H new ATOM 0 HD2 PHE A 8 16.175 -0.372 -10.305 1.00 13.41 H new ATOM 0 HE1 PHE A 8 20.851 0.834 -11.244 1.00 45.20 H new ATOM 0 HE2 PHE A 8 17.568 -1.846 -11.695 1.00 24.13 H new ATOM 0 HZ PHE A 8 19.906 -1.242 -12.168 1.00 14.13 H new ATOM 123 N ALA A 9 15.407 2.982 -6.572 1.00 34.35 N ATOM 124 CA ALA A 9 14.606 3.988 -5.887 1.00 50.11 C ATOM 125 C ALA A 9 15.311 4.488 -4.630 1.00 62.41 C ATOM 126 O ALA A 9 15.308 5.684 -4.340 1.00 31.34 O ATOM 127 CB ALA A 9 13.236 3.425 -5.537 1.00 33.23 C ATOM 0 H ALA A 9 14.939 2.084 -6.698 1.00 34.35 H new ATOM 0 HA ALA A 9 14.477 4.834 -6.562 1.00 50.11 H new ATOM 0 HB1 ALA A 9 12.649 4.188 -5.026 1.00 33.23 H new ATOM 0 HB2 ALA A 9 12.723 3.123 -6.450 1.00 33.23 H new ATOM 0 HB3 ALA A 9 13.354 2.560 -4.884 1.00 33.23 H new ATOM 133 N GLU A 10 15.912 3.564 -3.888 1.00 53.30 N ATOM 134 CA GLU A 10 16.619 3.912 -2.661 1.00 2.45 C ATOM 135 C GLU A 10 18.021 4.431 -2.969 1.00 23.31 C ATOM 136 O GLU A 10 18.591 5.207 -2.201 1.00 21.02 O ATOM 137 CB GLU A 10 16.706 2.699 -1.733 1.00 11.01 C ATOM 138 CG GLU A 10 15.370 2.297 -1.132 1.00 54.34 C ATOM 139 CD GLU A 10 15.436 0.970 -0.397 1.00 4.44 C ATOM 140 OE1 GLU A 10 16.541 0.591 0.043 1.00 75.14 O ATOM 141 OE2 GLU A 10 14.383 0.314 -0.264 1.00 63.34 O ATOM 0 H GLU A 10 15.924 2.570 -4.115 1.00 53.30 H new ATOM 0 HA GLU A 10 16.058 4.702 -2.162 1.00 2.45 H new ATOM 0 HB2 GLU A 10 17.114 1.855 -2.289 1.00 11.01 H new ATOM 0 HB3 GLU A 10 17.407 2.918 -0.927 1.00 11.01 H new ATOM 0 HG2 GLU A 10 15.037 3.073 -0.443 1.00 54.34 H new ATOM 0 HG3 GLU A 10 14.624 2.233 -1.924 1.00 54.34 H new ATOM 146 N ASP A 11 18.570 3.998 -4.099 1.00 53.34 N ATOM 147 CA ASP A 11 19.905 4.417 -4.510 1.00 4.33 C ATOM 148 C ASP A 11 19.934 5.912 -4.816 1.00 44.14 C ATOM 149 O ASP A 11 20.786 6.643 -4.310 1.00 1.00 O ATOM 150 CB ASP A 11 20.356 3.625 -5.737 1.00 13.32 C ATOM 151 CG ASP A 11 21.728 4.048 -6.227 1.00 74.33 C ATOM 152 OD1 ASP A 11 22.501 4.604 -5.419 1.00 34.13 O ATOM 153 OD2 ASP A 11 22.029 3.821 -7.418 1.00 24.30 O ATOM 0 H ASP A 11 18.111 3.357 -4.746 1.00 53.34 H new ATOM 0 HA ASP A 11 20.591 4.218 -3.687 1.00 4.33 H new ATOM 0 HB2 ASP A 11 20.372 2.562 -5.494 1.00 13.32 H new ATOM 0 HB3 ASP A 11 19.630 3.758 -6.539 1.00 13.32 H new ATOM 157 N VAL A 12 18.999 6.359 -5.647 1.00 21.03 N ATOM 158 CA VAL A 12 18.917 7.767 -6.020 1.00 72.13 C ATOM 159 C VAL A 12 17.520 8.322 -5.766 1.00 33.01 C ATOM 160 O VAL A 12 17.309 9.101 -4.837 1.00 71.11 O ATOM 161 CB VAL A 12 19.280 7.976 -7.502 1.00 25.42 C ATOM 162 CG1 VAL A 12 19.158 9.444 -7.880 1.00 43.33 C ATOM 163 CG2 VAL A 12 20.681 7.458 -7.786 1.00 61.14 C ATOM 0 H VAL A 12 18.287 5.767 -6.075 1.00 21.03 H new ATOM 0 HA VAL A 12 19.635 8.302 -5.399 1.00 72.13 H new ATOM 0 HB VAL A 12 18.578 7.409 -8.113 1.00 25.42 H new ATOM 0 HG11 VAL A 12 19.418 9.572 -8.931 1.00 43.33 H new ATOM 0 HG12 VAL A 12 18.133 9.778 -7.717 1.00 43.33 H new ATOM 0 HG13 VAL A 12 19.835 10.036 -7.264 1.00 43.33 H new ATOM 0 HG21 VAL A 12 20.920 7.614 -8.838 1.00 61.14 H new ATOM 0 HG22 VAL A 12 21.400 7.995 -7.167 1.00 61.14 H new ATOM 0 HG23 VAL A 12 20.729 6.393 -7.557 1.00 61.14 H new ATOM 173 N GLY A 13 16.567 7.915 -6.600 1.00 4.40 N ATOM 174 CA GLY A 13 15.201 8.382 -6.449 1.00 51.31 C ATOM 175 C GLY A 13 14.937 9.660 -7.221 1.00 65.23 C ATOM 176 O GLY A 13 15.668 10.640 -7.080 1.00 30.24 O ATOM 0 H GLY A 13 16.717 7.271 -7.377 1.00 4.40 H new ATOM 0 HA2 GLY A 13 14.515 7.607 -6.790 1.00 51.31 H new ATOM 0 HA3 GLY A 13 14.992 8.550 -5.392 1.00 51.31 H new ATOM 180 N SER A 14 13.888 9.650 -8.038 1.00 51.31 N ATOM 181 CA SER A 14 13.532 10.815 -8.838 1.00 14.44 C ATOM 182 C SER A 14 12.091 10.717 -9.329 1.00 22.24 C ATOM 183 O SER A 14 11.794 11.026 -10.483 1.00 3.32 O ATOM 184 CB SER A 14 14.481 10.950 -10.031 1.00 71.53 C ATOM 185 OG SER A 14 14.476 9.774 -10.822 1.00 51.53 O ATOM 0 H SER A 14 13.270 8.848 -8.163 1.00 51.31 H new ATOM 0 HA SER A 14 13.624 11.700 -8.208 1.00 14.44 H new ATOM 0 HB2 SER A 14 14.185 11.803 -10.641 1.00 71.53 H new ATOM 0 HB3 SER A 14 15.492 11.148 -9.675 1.00 71.53 H new ATOM 0 HG SER A 14 15.089 9.886 -11.579 1.00 51.53 H new ATOM 190 N ASN A 15 11.200 10.283 -8.445 1.00 64.12 N ATOM 191 CA ASN A 15 9.788 10.143 -8.787 1.00 15.34 C ATOM 192 C ASN A 15 8.961 9.795 -7.553 1.00 3.14 C ATOM 193 O ASN A 15 8.873 8.633 -7.158 1.00 73.21 O ATOM 194 CB ASN A 15 9.606 9.065 -9.857 1.00 74.25 C ATOM 195 CG ASN A 15 8.209 9.064 -10.445 1.00 20.04 C ATOM 196 OD1 ASN A 15 7.221 9.222 -9.728 1.00 40.05 O ATOM 197 ND2 ASN A 15 8.120 8.885 -11.758 1.00 24.43 N ATOM 0 H ASN A 15 11.429 10.022 -7.486 1.00 64.12 H new ATOM 0 HA ASN A 15 9.438 11.098 -9.179 1.00 15.34 H new ATOM 0 HB2 ASN A 15 10.333 9.222 -10.654 1.00 74.25 H new ATOM 0 HB3 ASN A 15 9.815 8.087 -9.423 1.00 74.25 H new ATOM 0 HD21 ASN A 15 7.206 8.875 -12.211 1.00 24.43 H new ATOM 0 HD22 ASN A 15 8.966 8.758 -12.314 1.00 24.43 H new ATOM 203 N LYS A 16 8.356 10.812 -6.948 1.00 70.20 N ATOM 204 CA LYS A 16 7.533 10.616 -5.760 1.00 54.34 C ATOM 205 C LYS A 16 6.485 9.533 -5.996 1.00 3.22 C ATOM 206 O LYS A 16 6.123 8.796 -5.081 1.00 32.03 O ATOM 207 CB LYS A 16 6.849 11.927 -5.366 1.00 11.03 C ATOM 208 CG LYS A 16 6.564 12.042 -3.879 1.00 32.41 C ATOM 209 CD LYS A 16 5.934 13.380 -3.534 1.00 51.04 C ATOM 210 CE LYS A 16 6.940 14.515 -3.648 1.00 40.34 C ATOM 211 NZ LYS A 16 6.395 15.795 -3.115 1.00 61.24 N ATOM 0 H LYS A 16 8.420 11.781 -7.261 1.00 70.20 H new ATOM 0 HA LYS A 16 8.184 10.295 -4.947 1.00 54.34 H new ATOM 0 HB2 LYS A 16 7.479 12.762 -5.672 1.00 11.03 H new ATOM 0 HB3 LYS A 16 5.912 12.017 -5.915 1.00 11.03 H new ATOM 0 HG2 LYS A 16 5.898 11.235 -3.572 1.00 32.41 H new ATOM 0 HG3 LYS A 16 7.491 11.920 -3.319 1.00 32.41 H new ATOM 0 HD2 LYS A 16 5.092 13.570 -4.200 1.00 51.04 H new ATOM 0 HD3 LYS A 16 5.536 13.345 -2.520 1.00 51.04 H new ATOM 0 HE2 LYS A 16 7.847 14.252 -3.104 1.00 40.34 H new ATOM 0 HE3 LYS A 16 7.222 14.647 -4.693 1.00 40.34 H new ATOM 0 HZ1 LYS A 16 7.111 16.544 -3.211 1.00 61.24 H new ATOM 0 HZ2 LYS A 16 5.544 16.059 -3.650 1.00 61.24 H new ATOM 0 HZ3 LYS A 16 6.150 15.677 -2.111 1.00 61.24 H new ATOM 221 N GLY A 17 6.002 9.444 -7.232 1.00 24.21 N ATOM 222 CA GLY A 17 5.001 8.448 -7.566 1.00 32.30 C ATOM 223 C GLY A 17 5.545 7.035 -7.503 1.00 73.42 C ATOM 224 O GLY A 17 4.816 6.095 -7.186 1.00 14.15 O ATOM 0 H GLY A 17 6.286 10.043 -8.007 1.00 24.21 H new ATOM 0 HA2 GLY A 17 4.158 8.540 -6.881 1.00 32.30 H new ATOM 0 HA3 GLY A 17 4.620 8.643 -8.568 1.00 32.30 H new ATOM 228 N ALA A 18 6.830 6.883 -7.806 1.00 14.11 N ATOM 229 CA ALA A 18 7.472 5.575 -7.782 1.00 34.33 C ATOM 230 C ALA A 18 7.253 4.880 -6.443 1.00 43.11 C ATOM 231 O ALA A 18 6.836 3.723 -6.393 1.00 24.24 O ATOM 232 CB ALA A 18 8.959 5.711 -8.071 1.00 33.14 C ATOM 0 H ALA A 18 7.447 7.651 -8.071 1.00 14.11 H new ATOM 0 HA ALA A 18 7.017 4.961 -8.559 1.00 34.33 H new ATOM 0 HB1 ALA A 18 9.425 4.726 -8.050 1.00 33.14 H new ATOM 0 HB2 ALA A 18 9.099 6.158 -9.055 1.00 33.14 H new ATOM 0 HB3 ALA A 18 9.420 6.347 -7.315 1.00 33.14 H new ATOM 238 N ILE A 19 7.538 5.594 -5.358 1.00 53.41 N ATOM 239 CA ILE A 19 7.372 5.045 -4.018 1.00 31.10 C ATOM 240 C ILE A 19 5.962 4.498 -3.820 1.00 71.05 C ATOM 241 O ILE A 19 5.783 3.366 -3.370 1.00 71.31 O ATOM 242 CB ILE A 19 7.656 6.105 -2.937 1.00 35.31 C ATOM 243 CG1 ILE A 19 9.076 6.654 -3.091 1.00 21.10 C ATOM 244 CG2 ILE A 19 7.459 5.512 -1.550 1.00 1.31 C ATOM 245 CD1 ILE A 19 9.153 8.162 -3.009 1.00 24.01 C ATOM 0 H ILE A 19 7.885 6.553 -5.381 1.00 53.41 H new ATOM 0 HA ILE A 19 8.092 4.233 -3.917 1.00 31.10 H new ATOM 0 HB ILE A 19 6.953 6.928 -3.062 1.00 35.31 H new ATOM 0 HG12 ILE A 19 9.709 6.223 -2.316 1.00 21.10 H new ATOM 0 HG13 ILE A 19 9.480 6.329 -4.050 1.00 21.10 H new ATOM 0 HG21 ILE A 19 7.663 6.273 -0.797 1.00 1.31 H new ATOM 0 HG22 ILE A 19 6.431 5.165 -1.445 1.00 1.31 H new ATOM 0 HG23 ILE A 19 8.141 4.673 -1.413 1.00 1.31 H new ATOM 0 HD11 ILE A 19 10.189 8.480 -3.126 1.00 24.01 H new ATOM 0 HD12 ILE A 19 8.547 8.601 -3.801 1.00 24.01 H new ATOM 0 HD13 ILE A 19 8.779 8.493 -2.040 1.00 24.01 H new ATOM 256 N ILE A 20 4.966 5.309 -4.158 1.00 23.31 N ATOM 257 CA ILE A 20 3.572 4.905 -4.020 1.00 63.12 C ATOM 258 C ILE A 20 3.297 3.610 -4.776 1.00 14.14 C ATOM 259 O ILE A 20 2.784 2.645 -4.211 1.00 70.22 O ATOM 260 CB ILE A 20 2.616 5.998 -4.531 1.00 72.51 C ATOM 261 CG1 ILE A 20 2.835 7.300 -3.759 1.00 61.22 C ATOM 262 CG2 ILE A 20 1.170 5.539 -4.405 1.00 73.20 C ATOM 263 CD1 ILE A 20 2.849 8.530 -4.641 1.00 64.15 C ATOM 0 H ILE A 20 5.098 6.250 -4.529 1.00 23.31 H new ATOM 0 HA ILE A 20 3.394 4.746 -2.956 1.00 63.12 H new ATOM 0 HB ILE A 20 2.829 6.182 -5.584 1.00 72.51 H new ATOM 0 HG12 ILE A 20 2.048 7.407 -3.012 1.00 61.22 H new ATOM 0 HG13 ILE A 20 3.780 7.239 -3.220 1.00 61.22 H new ATOM 0 HG21 ILE A 20 0.506 6.323 -4.770 1.00 73.20 H new ATOM 0 HG22 ILE A 20 1.023 4.634 -4.995 1.00 73.20 H new ATOM 0 HG23 ILE A 20 0.944 5.331 -3.359 1.00 73.20 H new ATOM 0 HD11 ILE A 20 3.009 9.416 -4.027 1.00 64.15 H new ATOM 0 HD12 ILE A 20 3.654 8.445 -5.371 1.00 64.15 H new ATOM 0 HD13 ILE A 20 1.895 8.616 -5.161 1.00 64.15 H new ATOM 274 N GLY A 21 3.645 3.596 -6.060 1.00 74.43 N ATOM 275 CA GLY A 21 3.430 2.413 -6.873 1.00 22.01 C ATOM 276 C GLY A 21 4.202 1.211 -6.366 1.00 63.04 C ATOM 277 O GLY A 21 3.734 0.077 -6.465 1.00 71.13 O ATOM 0 H GLY A 21 4.071 4.382 -6.551 1.00 74.43 H new ATOM 0 HA2 GLY A 21 2.366 2.176 -6.890 1.00 22.01 H new ATOM 0 HA3 GLY A 21 3.726 2.624 -7.901 1.00 22.01 H new ATOM 281 N LEU A 22 5.388 1.459 -5.821 1.00 23.24 N ATOM 282 CA LEU A 22 6.228 0.388 -5.298 1.00 44.42 C ATOM 283 C LEU A 22 5.546 -0.318 -4.131 1.00 61.30 C ATOM 284 O LEU A 22 5.389 -1.539 -4.137 1.00 62.10 O ATOM 285 CB LEU A 22 7.580 0.947 -4.850 1.00 14.02 C ATOM 286 CG LEU A 22 8.765 -0.017 -4.932 1.00 42.23 C ATOM 287 CD1 LEU A 22 8.508 -1.253 -4.083 1.00 20.04 C ATOM 288 CD2 LEU A 22 9.035 -0.408 -6.378 1.00 63.10 C ATOM 0 H LEU A 22 5.789 2.392 -5.730 1.00 23.24 H new ATOM 0 HA LEU A 22 6.387 -0.338 -6.095 1.00 44.42 H new ATOM 0 HB2 LEU A 22 7.807 1.823 -5.457 1.00 14.02 H new ATOM 0 HB3 LEU A 22 7.486 1.289 -3.819 1.00 14.02 H new ATOM 0 HG LEU A 22 9.648 0.489 -4.542 1.00 42.23 H new ATOM 0 HD11 LEU A 22 9.362 -1.927 -4.154 1.00 20.04 H new ATOM 0 HD12 LEU A 22 8.365 -0.957 -3.044 1.00 20.04 H new ATOM 0 HD13 LEU A 22 7.613 -1.762 -4.442 1.00 20.04 H new ATOM 0 HD21 LEU A 22 9.881 -1.094 -6.417 1.00 63.10 H new ATOM 0 HD22 LEU A 22 8.153 -0.895 -6.794 1.00 63.10 H new ATOM 0 HD23 LEU A 22 9.264 0.485 -6.960 1.00 63.10 H new ATOM 299 N MET A 23 5.139 0.458 -3.132 1.00 50.51 N ATOM 300 CA MET A 23 4.470 -0.093 -1.959 1.00 23.21 C ATOM 301 C MET A 23 3.105 -0.663 -2.331 1.00 31.13 C ATOM 302 O MET A 23 2.804 -1.821 -2.039 1.00 40.14 O ATOM 303 CB MET A 23 4.309 0.984 -0.884 1.00 52.30 C ATOM 304 CG MET A 23 5.575 1.231 -0.079 1.00 51.13 C ATOM 305 SD MET A 23 5.921 -0.094 1.095 1.00 0.20 S ATOM 306 CE MET A 23 7.462 -0.731 0.441 1.00 33.42 C ATOM 0 H MET A 23 5.261 1.470 -3.111 1.00 50.51 H new ATOM 0 HA MET A 23 5.087 -0.900 -1.565 1.00 23.21 H new ATOM 0 HB2 MET A 23 4.002 1.916 -1.358 1.00 52.30 H new ATOM 0 HB3 MET A 23 3.508 0.692 -0.205 1.00 52.30 H new ATOM 0 HG2 MET A 23 6.419 1.337 -0.760 1.00 51.13 H new ATOM 0 HG3 MET A 23 5.480 2.173 0.460 1.00 51.13 H new ATOM 0 HE1 MET A 23 7.806 -1.559 1.061 1.00 33.42 H new ATOM 0 HE2 MET A 23 7.307 -1.082 -0.579 1.00 33.42 H new ATOM 0 HE3 MET A 23 8.212 0.060 0.442 1.00 33.42 H new ATOM 314 N VAL A 24 2.281 0.156 -2.977 1.00 43.13 N ATOM 315 CA VAL A 24 0.948 -0.267 -3.388 1.00 35.01 C ATOM 316 C VAL A 24 1.015 -1.506 -4.274 1.00 15.23 C ATOM 317 O VAL A 24 0.119 -2.349 -4.249 1.00 14.20 O ATOM 318 CB VAL A 24 0.212 0.853 -4.146 1.00 1.51 C ATOM 319 CG1 VAL A 24 -1.160 0.379 -4.600 1.00 22.34 C ATOM 320 CG2 VAL A 24 0.095 2.096 -3.277 1.00 41.11 C ATOM 0 H VAL A 24 2.514 1.117 -3.227 1.00 43.13 H new ATOM 0 HA VAL A 24 0.396 -0.503 -2.478 1.00 35.01 H new ATOM 0 HB VAL A 24 0.792 1.110 -5.032 1.00 1.51 H new ATOM 0 HG11 VAL A 24 -1.665 1.184 -5.134 1.00 22.34 H new ATOM 0 HG12 VAL A 24 -1.048 -0.480 -5.261 1.00 22.34 H new ATOM 0 HG13 VAL A 24 -1.752 0.093 -3.731 1.00 22.34 H new ATOM 0 HG21 VAL A 24 -0.428 2.878 -3.828 1.00 41.11 H new ATOM 0 HG22 VAL A 24 -0.462 1.856 -2.372 1.00 41.11 H new ATOM 0 HG23 VAL A 24 1.091 2.447 -3.007 1.00 41.11 H new ATOM 330 N GLY A 25 2.084 -1.609 -5.059 1.00 41.23 N ATOM 331 CA GLY A 25 2.248 -2.749 -5.942 1.00 51.11 C ATOM 332 C GLY A 25 2.588 -4.021 -5.191 1.00 44.12 C ATOM 333 O GLY A 25 2.011 -5.076 -5.449 1.00 23.44 O ATOM 0 H GLY A 25 2.838 -0.924 -5.099 1.00 41.23 H new ATOM 0 HA2 GLY A 25 1.330 -2.900 -6.509 1.00 51.11 H new ATOM 0 HA3 GLY A 25 3.037 -2.535 -6.664 1.00 51.11 H new ATOM 337 N GLY A 26 3.529 -3.922 -4.257 1.00 33.25 N ATOM 338 CA GLY A 26 3.929 -5.081 -3.482 1.00 14.22 C ATOM 339 C GLY A 26 2.801 -5.626 -2.628 1.00 13.45 C ATOM 340 O GLY A 26 2.625 -6.840 -2.520 1.00 1.13 O ATOM 0 H GLY A 26 4.021 -3.060 -4.024 1.00 33.25 H new ATOM 0 HA2 GLY A 26 4.279 -5.862 -4.157 1.00 14.22 H new ATOM 0 HA3 GLY A 26 4.769 -4.813 -2.841 1.00 14.22 H new ATOM 344 N VAL A 27 2.036 -4.727 -2.019 1.00 44.43 N ATOM 345 CA VAL A 27 0.920 -5.123 -1.169 1.00 62.25 C ATOM 346 C VAL A 27 -0.212 -5.725 -1.995 1.00 60.31 C ATOM 347 O VAL A 27 -0.662 -6.841 -1.730 1.00 3.14 O ATOM 348 CB VAL A 27 0.373 -3.928 -0.365 1.00 41.23 C ATOM 349 CG1 VAL A 27 -0.639 -4.398 0.669 1.00 10.34 C ATOM 350 CG2 VAL A 27 1.512 -3.169 0.299 1.00 10.24 C ATOM 0 H VAL A 27 2.169 -3.719 -2.098 1.00 44.43 H new ATOM 0 HA VAL A 27 1.301 -5.873 -0.476 1.00 62.25 H new ATOM 0 HB VAL A 27 -0.134 -3.251 -1.052 1.00 41.23 H new ATOM 0 HG11 VAL A 27 -1.014 -3.540 1.227 1.00 10.34 H new ATOM 0 HG12 VAL A 27 -1.469 -4.895 0.166 1.00 10.34 H new ATOM 0 HG13 VAL A 27 -0.160 -5.096 1.356 1.00 10.34 H new ATOM 0 HG21 VAL A 27 1.109 -2.328 0.863 1.00 10.24 H new ATOM 0 HG22 VAL A 27 2.048 -3.835 0.975 1.00 10.24 H new ATOM 0 HG23 VAL A 27 2.196 -2.799 -0.464 1.00 10.24 H new ATOM 360 N VAL A 28 -0.667 -4.981 -2.997 1.00 23.35 N ATOM 361 CA VAL A 28 -1.745 -5.441 -3.863 1.00 12.01 C ATOM 362 C VAL A 28 -1.401 -6.782 -4.504 1.00 24.02 C ATOM 363 O VAL A 28 -2.178 -7.734 -4.429 1.00 45.41 O ATOM 364 CB VAL A 28 -2.049 -4.417 -4.974 1.00 43.15 C ATOM 365 CG1 VAL A 28 -2.994 -5.014 -6.006 1.00 60.12 C ATOM 366 CG2 VAL A 28 -2.632 -3.144 -4.378 1.00 32.30 C ATOM 0 H VAL A 28 -0.305 -4.056 -3.229 1.00 23.35 H new ATOM 0 HA VAL A 28 -2.628 -5.557 -3.234 1.00 12.01 H new ATOM 0 HB VAL A 28 -1.116 -4.162 -5.476 1.00 43.15 H new ATOM 0 HG11 VAL A 28 -3.197 -4.277 -6.783 1.00 60.12 H new ATOM 0 HG12 VAL A 28 -2.534 -5.895 -6.454 1.00 60.12 H new ATOM 0 HG13 VAL A 28 -3.928 -5.298 -5.522 1.00 60.12 H new ATOM 0 HG21 VAL A 28 -2.841 -2.431 -5.176 1.00 32.30 H new ATOM 0 HG22 VAL A 28 -3.556 -3.379 -3.850 1.00 32.30 H new ATOM 0 HG23 VAL A 28 -1.917 -2.708 -3.680 1.00 32.30 H new ATOM 376 N ILE A 29 -0.233 -6.848 -5.133 1.00 44.41 N ATOM 377 CA ILE A 29 0.215 -8.071 -5.784 1.00 34.53 C ATOM 378 C ILE A 29 0.300 -9.224 -4.790 1.00 54.04 C ATOM 379 O ILE A 29 -0.311 -10.274 -4.986 1.00 65.52 O ATOM 380 CB ILE A 29 1.589 -7.883 -6.454 1.00 31.35 C ATOM 381 CG1 ILE A 29 1.474 -6.921 -7.639 1.00 15.42 C ATOM 382 CG2 ILE A 29 2.146 -9.224 -6.907 1.00 51.11 C ATOM 383 CD1 ILE A 29 0.629 -7.456 -8.773 1.00 61.02 C ATOM 0 H ILE A 29 0.420 -6.068 -5.205 1.00 44.41 H new ATOM 0 HA ILE A 29 -0.523 -8.308 -6.550 1.00 34.53 H new ATOM 0 HB ILE A 29 2.277 -7.454 -5.725 1.00 31.35 H new ATOM 0 HG12 ILE A 29 1.048 -5.980 -7.292 1.00 15.42 H new ATOM 0 HG13 ILE A 29 2.473 -6.699 -8.015 1.00 15.42 H new ATOM 0 HG21 ILE A 29 3.117 -9.074 -7.378 1.00 51.11 H new ATOM 0 HG22 ILE A 29 2.259 -9.881 -6.045 1.00 51.11 H new ATOM 0 HG23 ILE A 29 1.462 -9.679 -7.623 1.00 51.11 H new ATOM 0 HD11 ILE A 29 0.592 -6.721 -9.577 1.00 61.02 H new ATOM 0 HD12 ILE A 29 1.066 -8.382 -9.147 1.00 61.02 H new ATOM 0 HD13 ILE A 29 -0.381 -7.651 -8.413 1.00 61.02 H new ATOM 394 N ALA A 30 1.064 -9.021 -3.722 1.00 43.12 N ATOM 395 CA ALA A 30 1.227 -10.041 -2.693 1.00 34.03 C ATOM 396 C ALA A 30 -0.124 -10.516 -2.172 1.00 61.32 C ATOM 397 O ALA A 30 -0.393 -11.717 -2.115 1.00 25.24 O ATOM 398 CB ALA A 30 2.078 -9.508 -1.551 1.00 52.11 C ATOM 0 H ALA A 30 1.580 -8.159 -3.547 1.00 43.12 H new ATOM 0 HA ALA A 30 1.735 -10.895 -3.141 1.00 34.03 H new ATOM 0 HB1 ALA A 30 2.191 -10.280 -0.790 1.00 52.11 H new ATOM 0 HB2 ALA A 30 3.060 -9.226 -1.930 1.00 52.11 H new ATOM 0 HB3 ALA A 30 1.594 -8.635 -1.113 1.00 52.11 H new ATOM 404 N THR A 31 -0.973 -9.567 -1.790 1.00 42.31 N ATOM 405 CA THR A 31 -2.297 -9.888 -1.271 1.00 71.11 C ATOM 406 C THR A 31 -3.053 -10.805 -2.225 1.00 61.30 C ATOM 407 O THR A 31 -3.543 -11.863 -1.828 1.00 44.43 O ATOM 408 CB THR A 31 -3.130 -8.615 -1.031 1.00 25.24 C ATOM 409 OG1 THR A 31 -2.461 -7.761 -0.096 1.00 63.24 O ATOM 410 CG2 THR A 31 -4.514 -8.966 -0.506 1.00 4.00 C ATOM 0 H THR A 31 -0.767 -8.569 -1.830 1.00 42.31 H new ATOM 0 HA THR A 31 -2.149 -10.400 -0.320 1.00 71.11 H new ATOM 0 HB THR A 31 -3.241 -8.094 -1.982 1.00 25.24 H new ATOM 0 HG1 THR A 31 -1.636 -7.418 -0.498 1.00 63.24 H new ATOM 0 HG21 THR A 31 -5.084 -8.051 -0.344 1.00 4.00 H new ATOM 0 HG22 THR A 31 -5.031 -9.592 -1.233 1.00 4.00 H new ATOM 0 HG23 THR A 31 -4.420 -9.506 0.436 1.00 4.00 H new ATOM 418 N VAL A 32 -3.146 -10.394 -3.486 1.00 44.03 N ATOM 419 CA VAL A 32 -3.842 -11.179 -4.497 1.00 33.43 C ATOM 420 C VAL A 32 -3.298 -12.602 -4.558 1.00 35.33 C ATOM 421 O VAL A 32 -4.058 -13.571 -4.523 1.00 24.21 O ATOM 422 CB VAL A 32 -3.720 -10.535 -5.890 1.00 31.33 C ATOM 423 CG1 VAL A 32 -4.441 -11.377 -6.933 1.00 52.31 C ATOM 424 CG2 VAL A 32 -4.266 -9.115 -5.869 1.00 34.33 C ATOM 0 H VAL A 32 -2.747 -9.521 -3.831 1.00 44.03 H new ATOM 0 HA VAL A 32 -4.893 -11.206 -4.208 1.00 33.43 H new ATOM 0 HB VAL A 32 -2.665 -10.491 -6.160 1.00 31.33 H new ATOM 0 HG11 VAL A 32 -4.344 -10.906 -7.911 1.00 52.31 H new ATOM 0 HG12 VAL A 32 -4.000 -12.373 -6.964 1.00 52.31 H new ATOM 0 HG13 VAL A 32 -5.496 -11.455 -6.671 1.00 52.31 H new ATOM 0 HG21 VAL A 32 -4.172 -8.674 -6.862 1.00 34.33 H new ATOM 0 HG22 VAL A 32 -5.316 -9.133 -5.578 1.00 34.33 H new ATOM 0 HG23 VAL A 32 -3.701 -8.519 -5.152 1.00 34.33 H new ATOM 434 N ILE A 33 -1.977 -12.721 -4.650 1.00 60.30 N ATOM 435 CA ILE A 33 -1.332 -14.027 -4.714 1.00 31.14 C ATOM 436 C ILE A 33 -1.676 -14.871 -3.493 1.00 61.35 C ATOM 437 O ILE A 33 -1.828 -16.089 -3.588 1.00 12.00 O ATOM 438 CB ILE A 33 0.199 -13.893 -4.817 1.00 10.42 C ATOM 439 CG1 ILE A 33 0.580 -13.081 -6.057 1.00 62.15 C ATOM 440 CG2 ILE A 33 0.849 -15.267 -4.857 1.00 53.14 C ATOM 441 CD1 ILE A 33 1.980 -12.511 -5.999 1.00 32.32 C ATOM 0 H ILE A 33 -1.334 -11.930 -4.682 1.00 60.30 H new ATOM 0 HA ILE A 33 -1.707 -14.521 -5.610 1.00 31.14 H new ATOM 0 HB ILE A 33 0.563 -13.366 -3.935 1.00 10.42 H new ATOM 0 HG12 ILE A 33 0.491 -13.716 -6.939 1.00 62.15 H new ATOM 0 HG13 ILE A 33 -0.131 -12.264 -6.179 1.00 62.15 H new ATOM 0 HG21 ILE A 33 1.931 -15.156 -4.930 1.00 53.14 H new ATOM 0 HG22 ILE A 33 0.601 -15.814 -3.947 1.00 53.14 H new ATOM 0 HG23 ILE A 33 0.482 -15.818 -5.723 1.00 53.14 H new ATOM 0 HD11 ILE A 33 2.182 -11.948 -6.910 1.00 32.32 H new ATOM 0 HD12 ILE A 33 2.068 -11.850 -5.137 1.00 32.32 H new ATOM 0 HD13 ILE A 33 2.700 -13.324 -5.908 1.00 32.32 H new ATOM 452 N VAL A 34 -1.800 -14.216 -2.343 1.00 43.53 N ATOM 453 CA VAL A 34 -2.130 -14.906 -1.100 1.00 15.53 C ATOM 454 C VAL A 34 -3.537 -15.489 -1.153 1.00 14.14 C ATOM 455 O VAL A 34 -3.743 -16.666 -0.855 1.00 41.42 O ATOM 456 CB VAL A 34 -2.021 -13.961 0.112 1.00 33.33 C ATOM 457 CG1 VAL A 34 -2.424 -14.683 1.389 1.00 21.54 C ATOM 458 CG2 VAL A 34 -0.610 -13.403 0.228 1.00 22.53 C ATOM 0 H VAL A 34 -1.677 -13.208 -2.246 1.00 43.53 H new ATOM 0 HA VAL A 34 -1.409 -15.716 -0.985 1.00 15.53 H new ATOM 0 HB VAL A 34 -2.706 -13.126 -0.037 1.00 33.33 H new ATOM 0 HG11 VAL A 34 -2.341 -14.000 2.235 1.00 21.54 H new ATOM 0 HG12 VAL A 34 -3.454 -15.029 1.302 1.00 21.54 H new ATOM 0 HG13 VAL A 34 -1.766 -15.538 1.547 1.00 21.54 H new ATOM 0 HG21 VAL A 34 -0.552 -12.738 1.089 1.00 22.53 H new ATOM 0 HG22 VAL A 34 0.096 -14.223 0.355 1.00 22.53 H new ATOM 0 HG23 VAL A 34 -0.363 -12.848 -0.677 1.00 22.53 H new ATOM 468 N ILE A 35 -4.501 -14.658 -1.534 1.00 70.24 N ATOM 469 CA ILE A 35 -5.890 -15.092 -1.627 1.00 75.44 C ATOM 470 C ILE A 35 -6.045 -16.227 -2.635 1.00 50.30 C ATOM 471 O ILE A 35 -6.771 -17.192 -2.394 1.00 11.40 O ATOM 472 CB ILE A 35 -6.817 -13.931 -2.031 1.00 35.15 C ATOM 473 CG1 ILE A 35 -6.731 -12.801 -1.003 1.00 3.14 C ATOM 474 CG2 ILE A 35 -8.251 -14.421 -2.169 1.00 13.53 C ATOM 475 CD1 ILE A 35 -6.771 -11.420 -1.620 1.00 23.13 C ATOM 0 H ILE A 35 -4.346 -13.681 -1.783 1.00 70.24 H new ATOM 0 HA ILE A 35 -6.177 -15.447 -0.637 1.00 75.44 H new ATOM 0 HB ILE A 35 -6.492 -13.545 -2.997 1.00 35.15 H new ATOM 0 HG12 ILE A 35 -7.556 -12.899 -0.297 1.00 3.14 H new ATOM 0 HG13 ILE A 35 -5.809 -12.909 -0.432 1.00 3.14 H new ATOM 0 HG21 ILE A 35 -8.894 -13.589 -2.455 1.00 13.53 H new ATOM 0 HG22 ILE A 35 -8.299 -15.196 -2.934 1.00 13.53 H new ATOM 0 HG23 ILE A 35 -8.589 -14.830 -1.217 1.00 13.53 H new ATOM 0 HD11 ILE A 35 -6.706 -10.668 -0.834 1.00 23.13 H new ATOM 0 HD12 ILE A 35 -5.931 -11.303 -2.305 1.00 23.13 H new ATOM 0 HD13 ILE A 35 -7.705 -11.293 -2.167 1.00 23.13 H new ATOM 486 N THR A 36 -5.356 -16.104 -3.765 1.00 33.42 N ATOM 487 CA THR A 36 -5.416 -17.119 -4.810 1.00 30.51 C ATOM 488 C THR A 36 -4.866 -18.451 -4.315 1.00 73.01 C ATOM 489 O THR A 36 -5.509 -19.492 -4.458 1.00 11.10 O ATOM 490 CB THR A 36 -4.629 -16.684 -6.060 1.00 34.04 C ATOM 491 OG1 THR A 36 -3.310 -16.267 -5.690 1.00 74.34 O ATOM 492 CG2 THR A 36 -5.342 -15.549 -6.781 1.00 14.21 C ATOM 0 H THR A 36 -4.750 -15.312 -3.980 1.00 33.42 H new ATOM 0 HA THR A 36 -6.467 -17.239 -5.074 1.00 30.51 H new ATOM 0 HB THR A 36 -4.563 -17.537 -6.735 1.00 34.04 H new ATOM 0 HG1 THR A 36 -3.219 -16.297 -4.715 1.00 74.34 H new ATOM 0 HG21 THR A 36 -4.767 -15.259 -7.661 1.00 14.21 H new ATOM 0 HG22 THR A 36 -6.334 -15.880 -7.089 1.00 14.21 H new ATOM 0 HG23 THR A 36 -5.436 -14.694 -6.111 1.00 14.21 H new ATOM 500 N LEU A 37 -3.673 -18.414 -3.731 1.00 21.44 N ATOM 501 CA LEU A 37 -3.036 -19.620 -3.213 1.00 2.21 C ATOM 502 C LEU A 37 -3.920 -20.297 -2.171 1.00 54.15 C ATOM 503 O LEU A 37 -4.163 -21.502 -2.236 1.00 52.42 O ATOM 504 CB LEU A 37 -1.676 -19.279 -2.602 1.00 52.41 C ATOM 505 CG LEU A 37 -0.904 -20.448 -1.988 1.00 30.01 C ATOM 506 CD1 LEU A 37 -0.836 -21.613 -2.964 1.00 53.54 C ATOM 507 CD2 LEU A 37 0.495 -20.008 -1.581 1.00 21.24 C ATOM 0 H LEU A 37 -3.127 -17.562 -3.604 1.00 21.44 H new ATOM 0 HA LEU A 37 -2.891 -20.311 -4.043 1.00 2.21 H new ATOM 0 HB2 LEU A 37 -1.056 -18.826 -3.376 1.00 52.41 H new ATOM 0 HB3 LEU A 37 -1.826 -18.523 -1.831 1.00 52.41 H new ATOM 0 HG LEU A 37 -1.433 -20.779 -1.094 1.00 30.01 H new ATOM 0 HD11 LEU A 37 -0.283 -22.436 -2.511 1.00 53.54 H new ATOM 0 HD12 LEU A 37 -1.846 -21.944 -3.206 1.00 53.54 H new ATOM 0 HD13 LEU A 37 -0.330 -21.295 -3.876 1.00 53.54 H new ATOM 0 HD21 LEU A 37 1.030 -20.852 -1.146 1.00 21.24 H new ATOM 0 HD22 LEU A 37 1.034 -19.650 -2.459 1.00 21.24 H new ATOM 0 HD23 LEU A 37 0.425 -19.206 -0.846 1.00 21.24 H new ATOM 518 N VAL A 38 -4.398 -19.514 -1.210 1.00 65.13 N ATOM 519 CA VAL A 38 -5.259 -20.037 -0.154 1.00 13.33 C ATOM 520 C VAL A 38 -6.473 -20.751 -0.738 1.00 52.45 C ATOM 521 O VAL A 38 -6.747 -21.903 -0.404 1.00 54.00 O ATOM 522 CB VAL A 38 -5.739 -18.915 0.786 1.00 52.23 C ATOM 523 CG1 VAL A 38 -6.690 -19.470 1.836 1.00 2.10 C ATOM 524 CG2 VAL A 38 -4.553 -18.225 1.441 1.00 13.34 C ATOM 0 H VAL A 38 -4.204 -18.515 -1.140 1.00 65.13 H new ATOM 0 HA VAL A 38 -4.663 -20.749 0.417 1.00 13.33 H new ATOM 0 HB VAL A 38 -6.279 -18.175 0.195 1.00 52.23 H new ATOM 0 HG11 VAL A 38 -7.019 -18.664 2.491 1.00 2.10 H new ATOM 0 HG12 VAL A 38 -7.556 -19.914 1.344 1.00 2.10 H new ATOM 0 HG13 VAL A 38 -6.178 -20.230 2.425 1.00 2.10 H new ATOM 0 HG21 VAL A 38 -4.911 -17.435 2.102 1.00 13.34 H new ATOM 0 HG22 VAL A 38 -3.983 -18.952 2.020 1.00 13.34 H new ATOM 0 HG23 VAL A 38 -3.913 -17.792 0.672 1.00 13.34 H new ATOM 534 N MET A 39 -7.196 -20.059 -1.611 1.00 14.32 N ATOM 535 CA MET A 39 -8.380 -20.628 -2.244 1.00 65.43 C ATOM 536 C MET A 39 -8.006 -21.803 -3.142 1.00 5.14 C ATOM 537 O MET A 39 -8.802 -22.721 -3.344 1.00 15.24 O ATOM 538 CB MET A 39 -9.113 -19.560 -3.058 1.00 33.45 C ATOM 539 CG MET A 39 -8.375 -19.148 -4.322 1.00 2.51 C ATOM 540 SD MET A 39 -9.401 -18.171 -5.437 1.00 11.55 S ATOM 541 CE MET A 39 -10.332 -19.461 -6.259 1.00 44.14 C ATOM 0 H MET A 39 -6.983 -19.103 -1.897 1.00 14.32 H new ATOM 0 HA MET A 39 -9.042 -20.992 -1.458 1.00 65.43 H new ATOM 0 HB2 MET A 39 -10.100 -19.935 -3.329 1.00 33.45 H new ATOM 0 HB3 MET A 39 -9.267 -18.680 -2.433 1.00 33.45 H new ATOM 0 HG2 MET A 39 -7.490 -18.572 -4.050 1.00 2.51 H new ATOM 0 HG3 MET A 39 -8.027 -20.040 -4.842 1.00 2.51 H new ATOM 0 HE1 MET A 39 -11.014 -19.013 -6.982 1.00 44.14 H new ATOM 0 HE2 MET A 39 -9.646 -20.133 -6.775 1.00 44.14 H new ATOM 0 HE3 MET A 39 -10.904 -20.023 -5.521 1.00 44.14 H new ATOM 549 N LEU A 40 -6.791 -21.766 -3.680 1.00 30.51 N ATOM 550 CA LEU A 40 -6.311 -22.828 -4.558 1.00 62.23 C ATOM 551 C LEU A 40 -6.509 -24.197 -3.916 1.00 71.42 C ATOM 552 O LEU A 40 -7.041 -25.117 -4.539 1.00 43.25 O ATOM 553 CB LEU A 40 -4.833 -22.615 -4.886 1.00 11.25 C ATOM 554 CG LEU A 40 -4.335 -23.256 -6.183 1.00 74.43 C ATOM 555 CD1 LEU A 40 -4.415 -24.772 -6.093 1.00 51.44 C ATOM 556 CD2 LEU A 40 -5.136 -22.747 -7.372 1.00 65.35 C ATOM 0 H LEU A 40 -6.121 -21.013 -3.524 1.00 30.51 H new ATOM 0 HA LEU A 40 -6.891 -22.793 -5.480 1.00 62.23 H new ATOM 0 HB2 LEU A 40 -4.644 -21.543 -4.938 1.00 11.25 H new ATOM 0 HB3 LEU A 40 -4.238 -23.004 -4.060 1.00 11.25 H new ATOM 0 HG LEU A 40 -3.292 -22.975 -6.328 1.00 74.43 H new ATOM 0 HD11 LEU A 40 -4.057 -25.211 -7.024 1.00 51.44 H new ATOM 0 HD12 LEU A 40 -3.796 -25.121 -5.266 1.00 51.44 H new ATOM 0 HD13 LEU A 40 -5.449 -25.072 -5.924 1.00 51.44 H new ATOM 0 HD21 LEU A 40 -4.768 -23.214 -8.286 1.00 65.35 H new ATOM 0 HD22 LEU A 40 -6.188 -22.997 -7.236 1.00 65.35 H new ATOM 0 HD23 LEU A 40 -5.027 -21.665 -7.448 1.00 65.35 H new