USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 579 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 MET CE :methyl 168:sc= -0.747 (180deg=-1.5) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0293 (180deg=-0.122) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 59:sc= 0.0884 USER MOD Single : A 17 THR OG1 : rot 3:sc= 0.887 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -2.53 X(o=-2.5,f=-2.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.28) USER MOD Single : A 58 ASN : amide:sc= -0.934 K(o=-0.93,f=-1.6!) USER MOD Single : A 62 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.7!) USER MOD Single : A 72 THR OG1 : rot -55:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.414 -8.584 3.211 1.00 0.00 N ATOM 2 CA MET A 1 1.087 -8.922 2.618 1.00 0.00 C ATOM 3 C MET A 1 -0.006 -7.961 3.101 1.00 0.00 C ATOM 4 O MET A 1 -1.168 -8.350 3.243 1.00 0.00 O ATOM 5 CB MET A 1 0.738 -10.363 3.013 1.00 0.00 C ATOM 6 CG MET A 1 1.345 -11.413 2.095 1.00 0.00 C ATOM 7 SD MET A 1 0.656 -11.362 0.428 1.00 0.00 S ATOM 8 CE MET A 1 2.137 -11.121 -0.548 1.00 0.00 C ATOM 0 H1 MET A 1 3.091 -9.345 3.002 1.00 0.00 H new ATOM 0 H2 MET A 1 2.759 -7.692 2.803 1.00 0.00 H new ATOM 0 H3 MET A 1 2.317 -8.479 4.241 1.00 0.00 H new ATOM 0 HA MET A 1 1.144 -8.826 1.534 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.079 -10.544 4.032 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.346 -10.477 3.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.424 -11.264 2.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.180 -12.402 2.522 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.908 -11.281 -1.602 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.504 -10.105 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.901 -11.830 -0.231 1.00 0.00 H new ATOM 20 N GLU A 2 0.374 -6.706 3.364 1.00 0.00 N ATOM 21 CA GLU A 2 -0.572 -5.698 3.842 1.00 0.00 C ATOM 22 C GLU A 2 -0.082 -4.287 3.511 1.00 0.00 C ATOM 23 O GLU A 2 1.031 -4.112 3.018 1.00 0.00 O ATOM 24 CB GLU A 2 -0.778 -5.830 5.360 1.00 0.00 C ATOM 25 CG GLU A 2 -0.515 -7.228 5.907 1.00 0.00 C ATOM 26 CD GLU A 2 -0.313 -7.241 7.408 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.677 -6.643 7.879 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.141 -7.851 8.113 1.00 0.00 O ATOM 0 H GLU A 2 1.329 -6.367 3.253 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.522 -5.866 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.121 -5.124 5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.801 -5.544 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.353 -7.877 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.369 -7.643 5.422 1.00 0.00 H new ATOM 35 N TRP A 3 -0.915 -3.286 3.803 1.00 0.00 N ATOM 36 CA TRP A 3 -0.561 -1.888 3.554 1.00 0.00 C ATOM 37 C TRP A 3 -1.203 -0.978 4.597 1.00 0.00 C ATOM 38 O TRP A 3 -2.356 -1.172 4.976 1.00 0.00 O ATOM 39 CB TRP A 3 -0.968 -1.417 2.139 1.00 0.00 C ATOM 40 CG TRP A 3 -1.890 -2.335 1.379 1.00 0.00 C ATOM 41 CD1 TRP A 3 -2.972 -3.008 1.863 1.00 0.00 C ATOM 42 CD2 TRP A 3 -1.815 -2.653 -0.018 1.00 0.00 C ATOM 43 NE1 TRP A 3 -3.564 -3.739 0.861 1.00 0.00 N ATOM 44 CE2 TRP A 3 -2.873 -3.536 -0.303 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.949 -2.284 -1.055 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -3.092 -4.050 -1.581 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.169 -2.794 -2.321 1.00 0.00 C ATOM 48 CH2 TRP A 3 -2.233 -3.668 -2.575 1.00 0.00 C ATOM 0 H TRP A 3 -1.840 -3.418 4.212 1.00 0.00 H new ATOM 0 HA TRP A 3 0.525 -1.824 3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.448 -0.442 2.226 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.062 -1.275 1.550 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -3.315 -2.972 2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.385 -4.336 0.967 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.124 -1.613 -0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -3.911 -4.726 -1.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.509 -2.513 -3.128 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.378 -4.048 -3.575 1.00 0.00 H new ATOM 59 N LYS A 4 -0.448 0.016 5.054 1.00 0.00 N ATOM 60 CA LYS A 4 -0.940 0.968 6.049 1.00 0.00 C ATOM 61 C LYS A 4 -0.648 2.399 5.603 1.00 0.00 C ATOM 62 O LYS A 4 0.259 2.633 4.808 1.00 0.00 O ATOM 63 CB LYS A 4 -0.292 0.696 7.412 1.00 0.00 C ATOM 64 CG LYS A 4 -1.291 0.539 8.550 1.00 0.00 C ATOM 65 CD LYS A 4 -0.594 0.238 9.869 1.00 0.00 C ATOM 66 CE LYS A 4 -1.393 -0.744 10.714 1.00 0.00 C ATOM 67 NZ LYS A 4 -1.278 -0.454 12.173 1.00 0.00 N ATOM 0 H LYS A 4 0.511 0.185 4.751 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.019 0.845 6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.310 -0.210 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.389 1.514 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.878 1.452 8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.988 -0.265 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.396 -0.172 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.451 1.164 10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.442 -0.705 10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.044 -1.758 10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.838 -1.147 12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.281 -0.516 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.635 0.503 12.366 1.00 0.00 H new ATOM 81 N LEU A 5 -1.424 3.352 6.115 1.00 0.00 N ATOM 82 CA LEU A 5 -1.241 4.760 5.759 1.00 0.00 C ATOM 83 C LEU A 5 -1.418 5.666 6.982 1.00 0.00 C ATOM 84 O LEU A 5 -2.081 5.292 7.949 1.00 0.00 O ATOM 85 CB LEU A 5 -2.228 5.164 4.656 1.00 0.00 C ATOM 86 CG LEU A 5 -1.786 4.847 3.219 1.00 0.00 C ATOM 87 CD1 LEU A 5 -0.360 5.317 2.971 1.00 0.00 C ATOM 88 CD2 LEU A 5 -1.911 3.358 2.931 1.00 0.00 C ATOM 0 H LEU A 5 -2.182 3.178 6.775 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.224 4.884 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.178 4.664 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.411 6.236 4.732 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.446 5.386 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.072 5.081 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.300 6.394 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.315 4.813 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.593 3.157 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.281 2.799 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.949 3.049 3.055 1.00 0.00 H new ATOM 100 N PHE A 6 -0.820 6.858 6.923 1.00 0.00 N ATOM 101 CA PHE A 6 -0.904 7.825 8.022 1.00 0.00 C ATOM 102 C PHE A 6 -1.881 8.955 7.678 1.00 0.00 C ATOM 103 O PHE A 6 -2.492 8.943 6.609 1.00 0.00 O ATOM 104 CB PHE A 6 0.487 8.402 8.323 1.00 0.00 C ATOM 105 CG PHE A 6 0.750 8.618 9.789 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.820 7.541 10.661 1.00 0.00 C ATOM 107 CD2 PHE A 6 0.933 9.894 10.292 1.00 0.00 C ATOM 108 CE1 PHE A 6 1.062 7.737 12.008 1.00 0.00 C ATOM 109 CE2 PHE A 6 1.174 10.097 11.638 1.00 0.00 C ATOM 110 CZ PHE A 6 1.242 9.017 12.495 1.00 0.00 C ATOM 0 H PHE A 6 -0.271 7.178 6.125 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.275 7.309 8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.244 7.728 7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.597 9.352 7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.684 6.538 10.283 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.887 10.742 9.625 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.110 6.891 12.678 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.309 11.099 12.018 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.436 9.173 13.546 1.00 0.00 H new ATOM 120 N ALA A 7 -2.031 9.925 8.590 1.00 0.00 N ATOM 121 CA ALA A 7 -2.942 11.058 8.376 1.00 0.00 C ATOM 122 C ALA A 7 -2.733 11.708 7.011 1.00 0.00 C ATOM 123 O ALA A 7 -3.688 12.189 6.403 1.00 0.00 O ATOM 124 CB ALA A 7 -2.782 12.098 9.470 1.00 0.00 C ATOM 0 H ALA A 7 -1.535 9.948 9.481 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.956 10.658 8.409 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.467 12.926 9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.006 11.647 10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.757 12.469 9.472 1.00 0.00 H new ATOM 130 N ASP A 8 -1.488 11.713 6.527 1.00 0.00 N ATOM 131 CA ASP A 8 -1.178 12.295 5.219 1.00 0.00 C ATOM 132 C ASP A 8 -2.111 11.724 4.152 1.00 0.00 C ATOM 133 O ASP A 8 -2.542 12.433 3.242 1.00 0.00 O ATOM 134 CB ASP A 8 0.282 12.032 4.843 1.00 0.00 C ATOM 135 CG ASP A 8 1.257 12.749 5.760 1.00 0.00 C ATOM 136 OD1 ASP A 8 1.502 12.243 6.878 1.00 0.00 O ATOM 137 OD2 ASP A 8 1.780 13.810 5.360 1.00 0.00 O ATOM 0 H ASP A 8 -0.683 11.323 7.018 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.329 13.373 5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.476 10.960 4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.452 12.352 3.815 1.00 0.00 H new ATOM 142 N LEU A 9 -2.431 10.438 4.287 1.00 0.00 N ATOM 143 CA LEU A 9 -3.330 9.758 3.361 1.00 0.00 C ATOM 144 C LEU A 9 -4.669 9.421 4.037 1.00 0.00 C ATOM 145 O LEU A 9 -5.613 9.001 3.372 1.00 0.00 O ATOM 146 CB LEU A 9 -2.669 8.488 2.820 1.00 0.00 C ATOM 147 CG LEU A 9 -1.326 8.710 2.107 1.00 0.00 C ATOM 148 CD1 LEU A 9 -0.165 8.559 3.082 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.175 7.746 0.939 1.00 0.00 C ATOM 0 H LEU A 9 -2.077 9.843 5.036 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.535 10.431 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.514 7.796 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.357 8.006 2.126 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.311 9.728 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.776 8.720 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.264 9.293 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.175 7.555 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.218 7.918 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.215 6.720 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.984 7.908 0.227 1.00 0.00 H new ATOM 161 N ALA A 10 -4.754 9.612 5.358 1.00 0.00 N ATOM 162 CA ALA A 10 -5.984 9.338 6.102 1.00 0.00 C ATOM 163 C ALA A 10 -6.856 10.597 6.243 1.00 0.00 C ATOM 164 O ALA A 10 -7.998 10.516 6.692 1.00 0.00 O ATOM 165 CB ALA A 10 -5.658 8.762 7.474 1.00 0.00 C ATOM 0 H ALA A 10 -3.984 9.955 5.932 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.555 8.603 5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.583 8.564 8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.101 7.833 7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.056 9.477 8.035 1.00 0.00 H new ATOM 171 N GLU A 11 -6.312 11.758 5.867 1.00 0.00 N ATOM 172 CA GLU A 11 -7.046 13.021 5.961 1.00 0.00 C ATOM 173 C GLU A 11 -8.337 12.990 5.135 1.00 0.00 C ATOM 174 O GLU A 11 -9.364 13.523 5.559 1.00 0.00 O ATOM 175 CB GLU A 11 -6.163 14.181 5.490 1.00 0.00 C ATOM 176 CG GLU A 11 -6.603 15.540 6.014 1.00 0.00 C ATOM 177 CD GLU A 11 -6.012 16.696 5.225 1.00 0.00 C ATOM 178 OE1 GLU A 11 -4.788 16.682 4.975 1.00 0.00 O ATOM 179 OE2 GLU A 11 -6.775 17.614 4.858 1.00 0.00 O ATOM 0 H GLU A 11 -5.367 11.848 5.495 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.317 13.166 7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.136 13.995 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.162 14.205 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.691 15.602 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.310 15.633 7.060 1.00 0.00 H new ATOM 186 N VAL A 12 -8.280 12.378 3.949 1.00 0.00 N ATOM 187 CA VAL A 12 -9.448 12.302 3.069 1.00 0.00 C ATOM 188 C VAL A 12 -10.185 10.963 3.196 1.00 0.00 C ATOM 189 O VAL A 12 -11.414 10.924 3.119 1.00 0.00 O ATOM 190 CB VAL A 12 -9.059 12.539 1.594 1.00 0.00 C ATOM 191 CG1 VAL A 12 -10.299 12.620 0.711 1.00 0.00 C ATOM 192 CG2 VAL A 12 -8.224 13.805 1.461 1.00 0.00 C ATOM 0 H VAL A 12 -7.442 11.930 3.578 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.123 13.094 3.392 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.460 11.692 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.999 12.787 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.857 11.686 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.929 13.445 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.958 13.957 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.799 14.659 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.316 13.706 2.055 1.00 0.00 H new ATOM 202 N ALA A 13 -9.442 9.870 3.378 1.00 0.00 N ATOM 203 CA ALA A 13 -10.056 8.547 3.496 1.00 0.00 C ATOM 204 C ALA A 13 -10.420 8.218 4.942 1.00 0.00 C ATOM 205 O ALA A 13 -11.513 7.719 5.216 1.00 0.00 O ATOM 206 CB ALA A 13 -9.127 7.480 2.934 1.00 0.00 C ATOM 0 H ALA A 13 -8.424 9.874 3.446 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.979 8.561 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.597 6.501 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.929 7.687 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.188 7.486 3.488 1.00 0.00 H new ATOM 212 N GLY A 14 -9.491 8.481 5.859 1.00 0.00 N ATOM 213 CA GLY A 14 -9.717 8.192 7.264 1.00 0.00 C ATOM 214 C GLY A 14 -8.860 7.036 7.750 1.00 0.00 C ATOM 215 O GLY A 14 -8.447 7.005 8.911 1.00 0.00 O ATOM 0 H GLY A 14 -8.581 8.892 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.498 9.080 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.769 7.955 7.421 1.00 0.00 H new ATOM 219 N SER A 15 -8.589 6.088 6.848 1.00 0.00 N ATOM 220 CA SER A 15 -7.773 4.920 7.169 1.00 0.00 C ATOM 221 C SER A 15 -7.556 4.058 5.928 1.00 0.00 C ATOM 222 O SER A 15 -8.472 3.375 5.469 1.00 0.00 O ATOM 223 CB SER A 15 -8.435 4.085 8.271 1.00 0.00 C ATOM 224 OG SER A 15 -7.702 4.166 9.482 1.00 0.00 O ATOM 0 H SER A 15 -8.926 6.110 5.886 1.00 0.00 H new ATOM 0 HA SER A 15 -6.806 5.273 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.454 4.436 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.503 3.045 7.952 1.00 0.00 H new ATOM 0 HG SER A 15 -7.652 5.101 9.772 1.00 0.00 H new ATOM 230 N ARG A 16 -6.337 4.091 5.389 1.00 0.00 N ATOM 231 CA ARG A 16 -6.007 3.310 4.200 1.00 0.00 C ATOM 232 C ARG A 16 -5.211 2.050 4.565 1.00 0.00 C ATOM 233 O ARG A 16 -4.335 1.616 3.812 1.00 0.00 O ATOM 234 CB ARG A 16 -5.221 4.168 3.201 1.00 0.00 C ATOM 235 CG ARG A 16 -5.629 3.945 1.752 1.00 0.00 C ATOM 236 CD ARG A 16 -7.082 4.325 1.509 1.00 0.00 C ATOM 237 NE ARG A 16 -7.799 3.305 0.744 1.00 0.00 N ATOM 238 CZ ARG A 16 -7.732 3.182 -0.586 1.00 0.00 C ATOM 239 NH1 ARG A 16 -6.979 4.009 -1.308 1.00 0.00 N ATOM 240 NH2 ARG A 16 -8.421 2.223 -1.197 1.00 0.00 N ATOM 0 H ARG A 16 -5.566 4.648 5.756 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.941 2.993 3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.359 5.220 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.158 3.952 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.985 4.534 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.478 2.898 1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.581 4.477 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.123 5.274 0.974 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.386 2.647 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.445 4.746 -0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.936 3.905 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.999 1.583 -0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.372 2.127 -2.211 1.00 0.00 H new ATOM 254 N THR A 17 -5.536 1.459 5.717 1.00 0.00 N ATOM 255 CA THR A 17 -4.863 0.244 6.174 1.00 0.00 C ATOM 256 C THR A 17 -5.649 -0.991 5.729 1.00 0.00 C ATOM 257 O THR A 17 -6.781 -1.203 6.164 1.00 0.00 O ATOM 258 CB THR A 17 -4.696 0.260 7.703 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.907 -0.076 8.358 1.00 0.00 O ATOM 260 CG2 THR A 17 -4.247 1.599 8.246 1.00 0.00 C ATOM 0 H THR A 17 -6.260 1.802 6.348 1.00 0.00 H new ATOM 0 HA THR A 17 -3.870 0.205 5.726 1.00 0.00 H new ATOM 0 HB THR A 17 -3.922 -0.481 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.589 -0.297 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.150 1.538 9.330 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.284 1.864 7.810 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.983 2.361 7.990 1.00 0.00 H new ATOM 268 N VAL A 18 -5.058 -1.793 4.841 1.00 0.00 N ATOM 269 CA VAL A 18 -5.731 -2.988 4.331 1.00 0.00 C ATOM 270 C VAL A 18 -4.827 -4.227 4.396 1.00 0.00 C ATOM 271 O VAL A 18 -3.615 -4.120 4.599 1.00 0.00 O ATOM 272 CB VAL A 18 -6.208 -2.775 2.871 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.388 -3.680 2.545 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.577 -1.317 2.627 1.00 0.00 C ATOM 0 H VAL A 18 -4.123 -1.639 4.463 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.595 -3.159 4.973 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.382 -3.037 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.703 -3.511 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.092 -4.722 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.215 -3.456 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.908 -1.193 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.381 -1.027 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.706 -0.686 2.806 1.00 0.00 H new ATOM 284 N ARG A 19 -5.434 -5.405 4.217 1.00 0.00 N ATOM 285 CA ARG A 19 -4.706 -6.675 4.244 1.00 0.00 C ATOM 286 C ARG A 19 -5.081 -7.531 3.033 1.00 0.00 C ATOM 287 O ARG A 19 -6.141 -7.335 2.436 1.00 0.00 O ATOM 288 CB ARG A 19 -5.020 -7.440 5.534 1.00 0.00 C ATOM 289 CG ARG A 19 -3.932 -7.329 6.591 1.00 0.00 C ATOM 290 CD ARG A 19 -4.385 -6.497 7.781 1.00 0.00 C ATOM 291 NE ARG A 19 -5.491 -7.125 8.505 1.00 0.00 N ATOM 292 CZ ARG A 19 -5.813 -6.843 9.770 1.00 0.00 C ATOM 293 NH1 ARG A 19 -5.112 -5.946 10.463 1.00 0.00 N ATOM 294 NH2 ARG A 19 -6.836 -7.462 10.346 1.00 0.00 N ATOM 0 H ARG A 19 -6.436 -5.504 4.051 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.638 -6.459 4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.956 -7.067 5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.175 -8.492 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.651 -8.326 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.042 -6.880 6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.545 -6.350 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.693 -5.510 7.436 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.051 -7.821 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.323 -5.469 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.365 -5.737 11.429 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.375 -8.152 9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.083 -7.248 11.312 1.00 0.00 H new ATOM 308 N VAL A 20 -4.218 -8.487 2.678 1.00 0.00 N ATOM 309 CA VAL A 20 -4.489 -9.368 1.541 1.00 0.00 C ATOM 310 C VAL A 20 -4.979 -10.739 2.011 1.00 0.00 C ATOM 311 O VAL A 20 -4.286 -11.445 2.748 1.00 0.00 O ATOM 312 CB VAL A 20 -3.249 -9.540 0.626 1.00 0.00 C ATOM 313 CG1 VAL A 20 -2.130 -10.277 1.341 1.00 0.00 C ATOM 314 CG2 VAL A 20 -3.628 -10.263 -0.661 1.00 0.00 C ATOM 0 H VAL A 20 -3.335 -8.669 3.156 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.275 -8.889 0.957 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.884 -8.545 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.276 -10.380 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.831 -9.715 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.478 -11.266 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.745 -10.374 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.028 -11.248 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.383 -9.685 -1.194 1.00 0.00 H new ATOM 324 N ASP A 21 -6.186 -11.100 1.581 1.00 0.00 N ATOM 325 CA ASP A 21 -6.792 -12.377 1.952 1.00 0.00 C ATOM 326 C ASP A 21 -7.292 -13.129 0.720 1.00 0.00 C ATOM 327 O ASP A 21 -7.071 -14.335 0.585 1.00 0.00 O ATOM 328 CB ASP A 21 -7.948 -12.143 2.928 1.00 0.00 C ATOM 329 CG ASP A 21 -7.563 -12.442 4.363 1.00 0.00 C ATOM 330 OD1 ASP A 21 -7.706 -13.609 4.787 1.00 0.00 O ATOM 331 OD2 ASP A 21 -7.115 -11.510 5.065 1.00 0.00 O ATOM 0 H ASP A 21 -6.766 -10.523 0.972 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.029 -12.988 2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.280 -11.108 2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.793 -12.770 2.643 1.00 0.00 H new ATOM 336 N VAL A 22 -7.968 -12.408 -0.173 1.00 0.00 N ATOM 337 CA VAL A 22 -8.506 -12.992 -1.393 1.00 0.00 C ATOM 338 C VAL A 22 -7.465 -12.985 -2.514 1.00 0.00 C ATOM 339 O VAL A 22 -7.066 -11.925 -2.998 1.00 0.00 O ATOM 340 CB VAL A 22 -9.767 -12.241 -1.872 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.980 -12.655 -1.053 1.00 0.00 C ATOM 342 CG2 VAL A 22 -9.566 -10.730 -1.812 1.00 0.00 C ATOM 0 H VAL A 22 -8.155 -11.411 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.775 -14.021 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.944 -12.513 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.859 -12.115 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.145 -13.727 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.807 -12.420 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.471 -10.229 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.353 -10.432 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.730 -10.448 -2.452 1.00 0.00 H new ATOM 352 N ASP A 23 -7.035 -14.178 -2.920 1.00 0.00 N ATOM 353 CA ASP A 23 -6.046 -14.317 -3.985 1.00 0.00 C ATOM 354 C ASP A 23 -6.644 -15.039 -5.189 1.00 0.00 C ATOM 355 O ASP A 23 -7.391 -16.009 -5.037 1.00 0.00 O ATOM 356 CB ASP A 23 -4.813 -15.075 -3.483 1.00 0.00 C ATOM 357 CG ASP A 23 -3.906 -14.220 -2.612 1.00 0.00 C ATOM 358 OD1 ASP A 23 -3.719 -13.028 -2.933 1.00 0.00 O ATOM 359 OD2 ASP A 23 -3.379 -14.748 -1.612 1.00 0.00 O ATOM 0 H ASP A 23 -7.357 -15.062 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.743 -13.316 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.136 -15.948 -2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.246 -15.443 -4.338 1.00 0.00 H new ATOM 364 N GLY A 24 -6.310 -14.559 -6.385 1.00 0.00 N ATOM 365 CA GLY A 24 -6.818 -15.168 -7.606 1.00 0.00 C ATOM 366 C GLY A 24 -7.772 -14.259 -8.362 1.00 0.00 C ATOM 367 O GLY A 24 -8.755 -14.727 -8.941 1.00 0.00 O ATOM 0 H GLY A 24 -5.696 -13.758 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.980 -15.428 -8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.329 -16.098 -7.358 1.00 0.00 H new ATOM 371 N ASP A 25 -7.484 -12.957 -8.358 1.00 0.00 N ATOM 372 CA ASP A 25 -8.321 -11.981 -9.048 1.00 0.00 C ATOM 373 C ASP A 25 -7.488 -10.784 -9.500 1.00 0.00 C ATOM 374 O ASP A 25 -7.395 -10.498 -10.693 1.00 0.00 O ATOM 375 CB ASP A 25 -9.460 -11.513 -8.136 1.00 0.00 C ATOM 376 CG ASP A 25 -10.736 -11.225 -8.903 1.00 0.00 C ATOM 377 OD1 ASP A 25 -10.807 -10.167 -9.561 1.00 0.00 O ATOM 378 OD2 ASP A 25 -11.665 -12.059 -8.845 1.00 0.00 O ATOM 0 H ASP A 25 -6.675 -12.556 -7.883 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.750 -12.460 -9.928 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.656 -12.277 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.149 -10.614 -7.604 1.00 0.00 H new ATOM 383 N ALA A 26 -6.874 -10.096 -8.535 1.00 0.00 N ATOM 384 CA ALA A 26 -6.040 -8.935 -8.827 1.00 0.00 C ATOM 385 C ALA A 26 -4.596 -9.177 -8.379 1.00 0.00 C ATOM 386 O ALA A 26 -4.288 -10.216 -7.792 1.00 0.00 O ATOM 387 CB ALA A 26 -6.609 -7.694 -8.152 1.00 0.00 C ATOM 0 H ALA A 26 -6.941 -10.326 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.038 -8.775 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.977 -6.835 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.618 -7.509 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.640 -7.848 -7.073 1.00 0.00 H new ATOM 393 N THR A 27 -3.715 -8.216 -8.659 1.00 0.00 N ATOM 394 CA THR A 27 -2.307 -8.331 -8.284 1.00 0.00 C ATOM 395 C THR A 27 -1.947 -7.326 -7.186 1.00 0.00 C ATOM 396 O THR A 27 -2.752 -6.457 -6.843 1.00 0.00 O ATOM 397 CB THR A 27 -1.411 -8.135 -9.511 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.136 -8.359 -10.711 1.00 0.00 O ATOM 399 CG2 THR A 27 -0.215 -9.062 -9.526 1.00 0.00 C ATOM 0 H THR A 27 -3.952 -7.350 -9.144 1.00 0.00 H new ATOM 0 HA THR A 27 -2.141 -9.333 -7.889 1.00 0.00 H new ATOM 0 HB THR A 27 -1.061 -7.105 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.544 -8.226 -11.481 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.380 -8.874 -10.420 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.395 -8.884 -8.640 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.557 -10.097 -9.529 1.00 0.00 H new ATOM 407 N VAL A 28 -0.736 -7.446 -6.636 1.00 0.00 N ATOM 408 CA VAL A 28 -0.284 -6.547 -5.577 1.00 0.00 C ATOM 409 C VAL A 28 0.129 -5.200 -6.146 1.00 0.00 C ATOM 410 O VAL A 28 -0.158 -4.155 -5.562 1.00 0.00 O ATOM 411 CB VAL A 28 0.892 -7.135 -4.760 1.00 0.00 C ATOM 412 CG1 VAL A 28 0.392 -8.169 -3.760 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.957 -7.735 -5.671 1.00 0.00 C ATOM 0 H VAL A 28 -0.055 -8.155 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.133 -6.419 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 28 1.352 -6.317 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.236 -8.569 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.313 -7.700 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.105 -8.980 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.768 -8.139 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.517 -8.534 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.348 -6.962 -6.332 1.00 0.00 H new ATOM 423 N GLY A 29 0.790 -5.229 -7.303 1.00 0.00 N ATOM 424 CA GLY A 29 1.213 -4.003 -7.933 1.00 0.00 C ATOM 425 C GLY A 29 0.147 -3.427 -8.847 1.00 0.00 C ATOM 426 O GLY A 29 0.088 -2.213 -9.050 1.00 0.00 O ATOM 0 H GLY A 29 1.036 -6.080 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.465 -3.271 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.121 -4.187 -8.508 1.00 0.00 H new ATOM 430 N ASP A 30 -0.704 -4.302 -9.392 1.00 0.00 N ATOM 431 CA ASP A 30 -1.781 -3.881 -10.286 1.00 0.00 C ATOM 432 C ASP A 30 -2.712 -2.886 -9.589 1.00 0.00 C ATOM 433 O ASP A 30 -3.210 -1.947 -10.215 1.00 0.00 O ATOM 434 CB ASP A 30 -2.576 -5.103 -10.757 1.00 0.00 C ATOM 435 CG ASP A 30 -3.742 -4.738 -11.657 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.496 -4.314 -12.806 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.900 -4.885 -11.214 1.00 0.00 O ATOM 0 H ASP A 30 -0.665 -5.308 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.337 -3.386 -11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.909 -5.780 -11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.950 -5.644 -9.888 1.00 0.00 H new ATOM 442 N ALA A 31 -2.930 -3.090 -8.289 1.00 0.00 N ATOM 443 CA ALA A 31 -3.783 -2.207 -7.504 1.00 0.00 C ATOM 444 C ALA A 31 -2.959 -1.098 -6.868 1.00 0.00 C ATOM 445 O ALA A 31 -3.414 0.040 -6.783 1.00 0.00 O ATOM 446 CB ALA A 31 -4.538 -2.994 -6.440 1.00 0.00 C ATOM 0 H ALA A 31 -2.525 -3.862 -7.760 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.514 -1.752 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.169 -2.316 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.160 -3.750 -6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.826 -3.480 -5.773 1.00 0.00 H new ATOM 452 N LEU A 32 -1.738 -1.431 -6.436 1.00 0.00 N ATOM 453 CA LEU A 32 -0.850 -0.448 -5.820 1.00 0.00 C ATOM 454 C LEU A 32 -0.729 0.788 -6.707 1.00 0.00 C ATOM 455 O LEU A 32 -0.921 1.910 -6.249 1.00 0.00 O ATOM 456 CB LEU A 32 0.537 -1.050 -5.578 1.00 0.00 C ATOM 457 CG LEU A 32 1.460 -0.217 -4.681 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.027 -1.075 -3.557 1.00 0.00 C ATOM 459 CD2 LEU A 32 2.580 0.407 -5.502 1.00 0.00 C ATOM 0 H LEU A 32 -1.346 -2.370 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.278 -0.157 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.415 -2.036 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.026 -1.195 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 32 0.876 0.588 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.680 -0.468 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.210 -1.471 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.597 -1.901 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.226 0.995 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.165 -0.380 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.153 1.054 -6.268 1.00 0.00 H new ATOM 471 N ASP A 33 -0.424 0.567 -7.987 1.00 0.00 N ATOM 472 CA ASP A 33 -0.290 1.658 -8.948 1.00 0.00 C ATOM 473 C ASP A 33 -1.585 2.466 -9.047 1.00 0.00 C ATOM 474 O ASP A 33 -1.549 3.680 -9.239 1.00 0.00 O ATOM 475 CB ASP A 33 0.091 1.109 -10.322 1.00 0.00 C ATOM 476 CG ASP A 33 0.249 2.200 -11.364 1.00 0.00 C ATOM 477 OD1 ASP A 33 1.339 2.804 -11.427 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.720 2.453 -12.109 1.00 0.00 O ATOM 0 H ASP A 33 -0.265 -0.361 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 33 0.500 2.321 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.024 0.552 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.673 0.405 -10.652 1.00 0.00 H new ATOM 483 N ALA A 34 -2.724 1.787 -8.911 1.00 0.00 N ATOM 484 CA ALA A 34 -4.022 2.450 -8.982 1.00 0.00 C ATOM 485 C ALA A 34 -4.291 3.248 -7.711 1.00 0.00 C ATOM 486 O ALA A 34 -4.597 4.439 -7.768 1.00 0.00 O ATOM 487 CB ALA A 34 -5.134 1.434 -9.214 1.00 0.00 C ATOM 0 H ALA A 34 -2.772 0.781 -8.751 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.003 3.140 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.093 1.949 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.956 0.907 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.149 0.717 -8.393 1.00 0.00 H new ATOM 493 N LEU A 35 -4.168 2.580 -6.561 1.00 0.00 N ATOM 494 CA LEU A 35 -4.393 3.225 -5.270 1.00 0.00 C ATOM 495 C LEU A 35 -3.345 4.301 -4.993 1.00 0.00 C ATOM 496 O LEU A 35 -3.586 5.220 -4.212 1.00 0.00 O ATOM 497 CB LEU A 35 -4.414 2.191 -4.130 1.00 0.00 C ATOM 498 CG LEU A 35 -3.288 1.149 -4.135 1.00 0.00 C ATOM 499 CD1 LEU A 35 -2.282 1.431 -3.031 1.00 0.00 C ATOM 500 CD2 LEU A 35 -3.865 -0.253 -3.979 1.00 0.00 C ATOM 0 H LEU A 35 -3.914 1.594 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.369 3.708 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.380 2.727 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.368 1.664 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.770 1.212 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.494 0.678 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.845 2.419 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.784 1.399 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.055 -0.982 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.408 -0.320 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.545 -0.460 -4.805 1.00 0.00 H new ATOM 512 N VAL A 36 -2.184 4.193 -5.644 1.00 0.00 N ATOM 513 CA VAL A 36 -1.117 5.176 -5.463 1.00 0.00 C ATOM 514 C VAL A 36 -1.170 6.250 -6.549 1.00 0.00 C ATOM 515 O VAL A 36 -0.972 7.432 -6.268 1.00 0.00 O ATOM 516 CB VAL A 36 0.279 4.514 -5.461 1.00 0.00 C ATOM 517 CG1 VAL A 36 1.375 5.568 -5.376 1.00 0.00 C ATOM 518 CG2 VAL A 36 0.396 3.519 -4.314 1.00 0.00 C ATOM 0 H VAL A 36 -1.961 3.441 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.279 5.641 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 36 0.403 3.972 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.350 5.080 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.304 6.237 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.257 6.143 -4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.386 3.062 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.249 4.037 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.363 2.744 -4.426 1.00 0.00 H new ATOM 528 N GLY A 37 -1.447 5.835 -7.786 1.00 0.00 N ATOM 529 CA GLY A 37 -1.528 6.779 -8.891 1.00 0.00 C ATOM 530 C GLY A 37 -2.578 7.850 -8.667 1.00 0.00 C ATOM 531 O GLY A 37 -2.376 9.011 -9.027 1.00 0.00 O ATOM 0 H GLY A 37 -1.617 4.862 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.556 7.252 -9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.756 6.239 -9.810 1.00 0.00 H new ATOM 535 N ALA A 38 -3.698 7.458 -8.063 1.00 0.00 N ATOM 536 CA ALA A 38 -4.788 8.390 -7.777 1.00 0.00 C ATOM 537 C ALA A 38 -4.775 8.827 -6.312 1.00 0.00 C ATOM 538 O ALA A 38 -5.122 9.965 -5.994 1.00 0.00 O ATOM 539 CB ALA A 38 -6.130 7.765 -8.134 1.00 0.00 C ATOM 0 H ALA A 38 -3.875 6.500 -7.762 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.640 9.277 -8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.930 8.472 -7.915 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.145 7.517 -9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.276 6.858 -7.548 1.00 0.00 H new ATOM 545 N HIS A 39 -4.376 7.911 -5.426 1.00 0.00 N ATOM 546 CA HIS A 39 -4.312 8.174 -3.997 1.00 0.00 C ATOM 547 C HIS A 39 -5.681 8.546 -3.440 1.00 0.00 C ATOM 548 O HIS A 39 -5.830 9.587 -2.799 1.00 0.00 O ATOM 549 CB HIS A 39 -3.307 9.287 -3.703 1.00 0.00 C ATOM 550 CG HIS A 39 -1.889 8.816 -3.581 1.00 0.00 C ATOM 551 ND1 HIS A 39 -1.524 7.682 -2.885 1.00 0.00 N ATOM 552 CD2 HIS A 39 -0.738 9.345 -4.062 1.00 0.00 C ATOM 553 CE1 HIS A 39 -0.212 7.534 -2.943 1.00 0.00 C ATOM 554 NE2 HIS A 39 0.287 8.530 -3.652 1.00 0.00 N ATOM 0 H HIS A 39 -4.089 6.967 -5.685 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.983 7.258 -3.506 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.364 10.032 -4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.594 9.785 -2.777 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.645 10.241 -4.657 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.355 6.735 -2.488 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.275 8.671 -3.861 1.00 0.00 H new ATOM 563 N PRO A 40 -6.705 7.691 -3.655 1.00 0.00 N ATOM 564 CA PRO A 40 -8.057 7.945 -3.145 1.00 0.00 C ATOM 565 C PRO A 40 -8.057 8.240 -1.646 1.00 0.00 C ATOM 566 O PRO A 40 -8.980 8.873 -1.134 1.00 0.00 O ATOM 567 CB PRO A 40 -8.808 6.646 -3.439 1.00 0.00 C ATOM 568 CG PRO A 40 -8.066 6.025 -4.571 1.00 0.00 C ATOM 569 CD PRO A 40 -6.625 6.412 -4.385 1.00 0.00 C ATOM 0 HA PRO A 40 -8.511 8.820 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.821 5.991 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.846 6.841 -3.707 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.183 4.941 -4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.445 6.382 -5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.077 5.659 -3.818 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.113 6.526 -5.341 1.00 0.00 H new ATOM 577 N ALA A 41 -7.004 7.795 -0.953 1.00 0.00 N ATOM 578 CA ALA A 41 -6.876 8.033 0.478 1.00 0.00 C ATOM 579 C ALA A 41 -6.798 9.530 0.766 1.00 0.00 C ATOM 580 O ALA A 41 -7.313 10.004 1.776 1.00 0.00 O ATOM 581 CB ALA A 41 -5.648 7.319 1.026 1.00 0.00 C ATOM 0 H ALA A 41 -6.232 7.270 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.759 7.633 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.566 7.506 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.742 6.247 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.756 7.692 0.523 1.00 0.00 H new ATOM 587 N LEU A 42 -6.156 10.271 -0.136 1.00 0.00 N ATOM 588 CA LEU A 42 -6.014 11.717 0.014 1.00 0.00 C ATOM 589 C LEU A 42 -6.626 12.469 -1.176 1.00 0.00 C ATOM 590 O LEU A 42 -6.575 13.699 -1.231 1.00 0.00 O ATOM 591 CB LEU A 42 -4.536 12.092 0.177 1.00 0.00 C ATOM 592 CG LEU A 42 -3.585 11.501 -0.868 1.00 0.00 C ATOM 593 CD1 LEU A 42 -2.442 12.464 -1.149 1.00 0.00 C ATOM 594 CD2 LEU A 42 -3.045 10.155 -0.402 1.00 0.00 C ATOM 0 H LEU A 42 -5.726 9.892 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.558 12.014 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.450 13.178 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.205 11.772 1.165 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.143 11.345 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.775 12.030 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.843 13.405 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.887 12.649 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.371 9.752 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.503 10.285 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.874 9.464 -0.249 1.00 0.00 H new ATOM 606 N GLU A 43 -7.208 11.730 -2.129 1.00 0.00 N ATOM 607 CA GLU A 43 -7.822 12.342 -3.303 1.00 0.00 C ATOM 608 C GLU A 43 -9.254 12.779 -3.004 1.00 0.00 C ATOM 609 O GLU A 43 -10.167 11.954 -2.944 1.00 0.00 O ATOM 610 CB GLU A 43 -7.808 11.365 -4.482 1.00 0.00 C ATOM 611 CG GLU A 43 -7.663 12.047 -5.833 1.00 0.00 C ATOM 612 CD GLU A 43 -8.984 12.203 -6.566 1.00 0.00 C ATOM 613 OE1 GLU A 43 -9.782 11.241 -6.572 1.00 0.00 O ATOM 614 OE2 GLU A 43 -9.219 13.287 -7.136 1.00 0.00 O ATOM 0 H GLU A 43 -7.264 10.712 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.240 13.225 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.987 10.660 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.731 10.785 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.215 13.030 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.976 11.470 -6.453 1.00 0.00 H new ATOM 621 N SER A 44 -9.439 14.086 -2.814 1.00 0.00 N ATOM 622 CA SER A 44 -10.759 14.640 -2.520 1.00 0.00 C ATOM 623 C SER A 44 -11.637 14.689 -3.774 1.00 0.00 C ATOM 624 O SER A 44 -12.861 14.602 -3.679 1.00 0.00 O ATOM 625 CB SER A 44 -10.624 16.041 -1.918 1.00 0.00 C ATOM 626 OG SER A 44 -10.492 15.981 -0.509 1.00 0.00 O ATOM 0 H SER A 44 -8.692 14.779 -2.859 1.00 0.00 H new ATOM 0 HA SER A 44 -11.242 13.984 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.756 16.542 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.498 16.638 -2.179 1.00 0.00 H new ATOM 0 HG SER A 44 -10.406 16.889 -0.150 1.00 0.00 H new ATOM 632 N ARG A 45 -11.003 14.827 -4.946 1.00 0.00 N ATOM 633 CA ARG A 45 -11.726 14.885 -6.219 1.00 0.00 C ATOM 634 C ARG A 45 -12.692 16.073 -6.248 1.00 0.00 C ATOM 635 O ARG A 45 -13.905 15.909 -6.104 1.00 0.00 O ATOM 636 CB ARG A 45 -12.481 13.568 -6.464 1.00 0.00 C ATOM 637 CG ARG A 45 -13.218 13.511 -7.796 1.00 0.00 C ATOM 638 CD ARG A 45 -14.623 12.954 -7.625 1.00 0.00 C ATOM 639 NE ARG A 45 -15.366 12.922 -8.886 1.00 0.00 N ATOM 640 CZ ARG A 45 -16.514 12.263 -9.058 1.00 0.00 C ATOM 641 NH1 ARG A 45 -17.056 11.576 -8.056 1.00 0.00 N ATOM 642 NH2 ARG A 45 -17.122 12.291 -10.237 1.00 0.00 N ATOM 0 H ARG A 45 -9.990 14.900 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.998 15.024 -7.019 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.772 12.741 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.199 13.418 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.270 14.510 -8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.660 12.889 -8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.564 11.946 -7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.166 13.561 -6.901 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.983 13.434 -9.681 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.594 11.550 -7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.934 11.075 -8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.712 12.815 -11.010 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.999 11.788 -10.370 1.00 0.00 H new ATOM 656 N VAL A 46 -12.138 17.273 -6.438 1.00 0.00 N ATOM 657 CA VAL A 46 -12.936 18.498 -6.490 1.00 0.00 C ATOM 658 C VAL A 46 -13.083 18.991 -7.932 1.00 0.00 C ATOM 659 O VAL A 46 -14.199 19.104 -8.446 1.00 0.00 O ATOM 660 CB VAL A 46 -12.310 19.617 -5.628 1.00 0.00 C ATOM 661 CG1 VAL A 46 -13.248 20.813 -5.526 1.00 0.00 C ATOM 662 CG2 VAL A 46 -11.953 19.093 -4.244 1.00 0.00 C ATOM 0 H VAL A 46 -11.136 17.421 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.920 18.257 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.393 19.947 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.785 21.587 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.445 21.207 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.187 20.501 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.514 19.897 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.854 18.729 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.236 18.277 -4.338 1.00 0.00 H new ATOM 672 N PHE A 47 -11.950 19.280 -8.577 1.00 0.00 N ATOM 673 CA PHE A 47 -11.940 19.754 -9.963 1.00 0.00 C ATOM 674 C PHE A 47 -10.510 19.844 -10.495 1.00 0.00 C ATOM 675 O PHE A 47 -10.169 19.207 -11.494 1.00 0.00 O ATOM 676 CB PHE A 47 -12.627 21.120 -10.077 1.00 0.00 C ATOM 677 CG PHE A 47 -13.582 21.222 -11.235 1.00 0.00 C ATOM 678 CD1 PHE A 47 -13.131 21.573 -12.497 1.00 0.00 C ATOM 679 CD2 PHE A 47 -14.934 20.966 -11.058 1.00 0.00 C ATOM 680 CE1 PHE A 47 -14.008 21.669 -13.562 1.00 0.00 C ATOM 681 CE2 PHE A 47 -15.815 21.060 -12.119 1.00 0.00 C ATOM 682 CZ PHE A 47 -15.352 21.412 -13.371 1.00 0.00 C ATOM 0 H PHE A 47 -11.024 19.193 -8.159 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.493 19.034 -10.566 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.168 21.323 -9.153 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.865 21.893 -10.177 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.081 21.774 -12.651 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.302 20.690 -10.081 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.643 21.944 -14.541 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -16.865 20.858 -11.969 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.040 21.486 -14.200 1.00 0.00 H new ATOM 692 N GLY A 48 -9.678 20.635 -9.817 1.00 0.00 N ATOM 693 CA GLY A 48 -8.294 20.794 -10.228 1.00 0.00 C ATOM 694 C GLY A 48 -7.333 20.694 -9.060 1.00 0.00 C ATOM 695 O GLY A 48 -7.097 21.680 -8.359 1.00 0.00 O ATOM 0 H GLY A 48 -9.941 21.169 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.046 20.031 -10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.171 21.761 -10.716 1.00 0.00 H new ATOM 699 N ASP A 49 -6.780 19.499 -8.848 1.00 0.00 N ATOM 700 CA ASP A 49 -5.839 19.267 -7.753 1.00 0.00 C ATOM 701 C ASP A 49 -4.570 20.099 -7.925 1.00 0.00 C ATOM 702 O ASP A 49 -4.257 20.557 -9.026 1.00 0.00 O ATOM 703 CB ASP A 49 -5.476 17.784 -7.660 1.00 0.00 C ATOM 704 CG ASP A 49 -5.375 17.289 -6.229 1.00 0.00 C ATOM 705 OD1 ASP A 49 -6.221 17.688 -5.398 1.00 0.00 O ATOM 706 OD2 ASP A 49 -4.452 16.501 -5.939 1.00 0.00 O ATOM 0 H ASP A 49 -6.968 18.676 -9.421 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.329 19.574 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.227 17.198 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.525 17.616 -8.165 1.00 0.00 H new ATOM 711 N ASP A 50 -3.842 20.283 -6.828 1.00 0.00 N ATOM 712 CA ASP A 50 -2.600 21.056 -6.844 1.00 0.00 C ATOM 713 C ASP A 50 -1.454 20.248 -7.451 1.00 0.00 C ATOM 714 O ASP A 50 -0.529 20.818 -8.035 1.00 0.00 O ATOM 715 CB ASP A 50 -2.229 21.501 -5.426 1.00 0.00 C ATOM 716 CG ASP A 50 -1.695 22.921 -5.381 1.00 0.00 C ATOM 717 OD1 ASP A 50 -0.697 23.205 -6.075 1.00 0.00 O ATOM 718 OD2 ASP A 50 -2.275 23.747 -4.647 1.00 0.00 O ATOM 0 H ASP A 50 -4.090 19.907 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.765 21.937 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.107 21.426 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.479 20.822 -5.020 1.00 0.00 H new ATOM 723 N GLY A 51 -1.516 18.924 -7.313 1.00 0.00 N ATOM 724 CA GLY A 51 -0.476 18.069 -7.855 1.00 0.00 C ATOM 725 C GLY A 51 0.593 17.726 -6.835 1.00 0.00 C ATOM 726 O GLY A 51 0.285 17.465 -5.670 1.00 0.00 O ATOM 0 H GLY A 51 -2.269 18.430 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.926 17.148 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.012 18.564 -8.708 1.00 0.00 H new ATOM 730 N GLU A 52 1.850 17.723 -7.276 1.00 0.00 N ATOM 731 CA GLU A 52 2.975 17.403 -6.399 1.00 0.00 C ATOM 732 C GLU A 52 4.283 17.961 -6.963 1.00 0.00 C ATOM 733 O GLU A 52 4.522 17.903 -8.170 1.00 0.00 O ATOM 734 CB GLU A 52 3.087 15.886 -6.219 1.00 0.00 C ATOM 735 CG GLU A 52 4.119 15.463 -5.183 1.00 0.00 C ATOM 736 CD GLU A 52 3.538 15.333 -3.786 1.00 0.00 C ATOM 737 OE1 GLU A 52 2.546 14.592 -3.621 1.00 0.00 O ATOM 738 OE2 GLU A 52 4.078 15.971 -2.858 1.00 0.00 O ATOM 0 H GLU A 52 2.115 17.939 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 52 2.794 17.867 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.113 15.491 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.342 15.434 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.554 14.509 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.930 16.192 -5.167 1.00 0.00 H new ATOM 745 N LEU A 53 5.128 18.499 -6.081 1.00 0.00 N ATOM 746 CA LEU A 53 6.413 19.065 -6.489 1.00 0.00 C ATOM 747 C LEU A 53 7.504 17.990 -6.500 1.00 0.00 C ATOM 748 O LEU A 53 8.147 17.760 -7.526 1.00 0.00 O ATOM 749 CB LEU A 53 6.814 20.214 -5.554 1.00 0.00 C ATOM 750 CG LEU A 53 7.301 21.492 -6.247 1.00 0.00 C ATOM 751 CD1 LEU A 53 8.525 21.209 -7.106 1.00 0.00 C ATOM 752 CD2 LEU A 53 6.189 22.107 -7.085 1.00 0.00 C ATOM 0 H LEU A 53 4.944 18.554 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 53 6.304 19.456 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.958 20.465 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.602 19.860 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 53 7.585 22.208 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.852 22.130 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.328 20.822 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.272 20.471 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.556 23.013 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.870 21.394 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.344 22.355 -6.443 1.00 0.00 H new ATOM 764 N TYR A 54 7.706 17.337 -5.353 1.00 0.00 N ATOM 765 CA TYR A 54 8.715 16.285 -5.225 1.00 0.00 C ATOM 766 C TYR A 54 8.091 14.995 -4.686 1.00 0.00 C ATOM 767 O TYR A 54 6.999 15.018 -4.112 1.00 0.00 O ATOM 768 CB TYR A 54 9.853 16.755 -4.308 1.00 0.00 C ATOM 769 CG TYR A 54 11.039 15.814 -4.264 1.00 0.00 C ATOM 770 CD1 TYR A 54 11.967 15.780 -5.298 1.00 0.00 C ATOM 771 CD2 TYR A 54 11.230 14.957 -3.185 1.00 0.00 C ATOM 772 CE1 TYR A 54 13.048 14.920 -5.260 1.00 0.00 C ATOM 773 CE2 TYR A 54 12.308 14.096 -3.139 1.00 0.00 C ATOM 774 CZ TYR A 54 13.215 14.082 -4.179 1.00 0.00 C ATOM 775 OH TYR A 54 14.289 13.222 -4.137 1.00 0.00 O ATOM 0 H TYR A 54 7.182 17.520 -4.497 1.00 0.00 H new ATOM 0 HA TYR A 54 9.123 16.076 -6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.193 17.736 -4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.463 16.879 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.841 16.437 -6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.523 14.965 -2.369 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.758 14.905 -6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.441 13.437 -2.294 1.00 0.00 H new ATOM 0 HH TYR A 54 14.260 12.702 -3.307 1.00 0.00 H new ATOM 785 N ASP A 55 8.785 13.873 -4.878 1.00 0.00 N ATOM 786 CA ASP A 55 8.294 12.574 -4.416 1.00 0.00 C ATOM 787 C ASP A 55 8.803 12.258 -3.009 1.00 0.00 C ATOM 788 O ASP A 55 10.004 12.066 -2.802 1.00 0.00 O ATOM 789 CB ASP A 55 8.728 11.470 -5.388 1.00 0.00 C ATOM 790 CG ASP A 55 7.716 11.231 -6.494 1.00 0.00 C ATOM 791 OD1 ASP A 55 7.293 12.215 -7.140 1.00 0.00 O ATOM 792 OD2 ASP A 55 7.348 10.058 -6.719 1.00 0.00 O ATOM 0 H ASP A 55 9.688 13.837 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 55 7.205 12.619 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.687 11.738 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.880 10.544 -4.834 1.00 0.00 H new ATOM 797 N HIS A 56 7.882 12.205 -2.045 1.00 0.00 N ATOM 798 CA HIS A 56 8.240 11.914 -0.657 1.00 0.00 C ATOM 799 C HIS A 56 7.279 10.900 -0.034 1.00 0.00 C ATOM 800 O HIS A 56 6.085 11.168 0.107 1.00 0.00 O ATOM 801 CB HIS A 56 8.245 13.206 0.169 1.00 0.00 C ATOM 802 CG HIS A 56 9.492 13.393 0.976 1.00 0.00 C ATOM 803 ND1 HIS A 56 10.759 13.211 0.461 1.00 0.00 N ATOM 804 CD2 HIS A 56 9.663 13.754 2.269 1.00 0.00 C ATOM 805 CE1 HIS A 56 11.654 13.449 1.404 1.00 0.00 C ATOM 806 NE2 HIS A 56 11.015 13.781 2.510 1.00 0.00 N ATOM 0 H HIS A 56 6.886 12.359 -2.200 1.00 0.00 H new ATOM 0 HA HIS A 56 9.239 11.479 -0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.124 14.057 -0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.385 13.203 0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.881 13.979 2.980 1.00 0.00 H new ATOM 0 HE1 HIS A 56 12.726 13.383 1.289 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.454 14.019 3.399 1.00 0.00 H new ATOM 815 N ILE A 57 7.813 9.733 0.341 1.00 0.00 N ATOM 816 CA ILE A 57 7.012 8.674 0.953 1.00 0.00 C ATOM 817 C ILE A 57 7.909 7.538 1.444 1.00 0.00 C ATOM 818 O ILE A 57 8.907 7.203 0.805 1.00 0.00 O ATOM 819 CB ILE A 57 5.958 8.112 -0.032 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.086 7.049 0.650 1.00 0.00 C ATOM 821 CG2 ILE A 57 6.633 7.536 -1.270 1.00 0.00 C ATOM 822 CD1 ILE A 57 4.060 7.622 1.607 1.00 0.00 C ATOM 0 H ILE A 57 8.800 9.500 0.230 1.00 0.00 H new ATOM 0 HA ILE A 57 6.488 9.115 1.801 1.00 0.00 H new ATOM 0 HB ILE A 57 5.313 8.934 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.571 6.469 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.730 6.358 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.875 7.146 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.202 8.319 -1.772 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.306 6.730 -0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.482 6.811 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.568 8.178 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.391 8.290 1.065 1.00 0.00 H new ATOM 834 N ASN A 58 7.543 6.949 2.579 1.00 0.00 N ATOM 835 CA ASN A 58 8.311 5.849 3.154 1.00 0.00 C ATOM 836 C ASN A 58 7.450 4.589 3.274 1.00 0.00 C ATOM 837 O ASN A 58 6.222 4.669 3.327 1.00 0.00 O ATOM 838 CB ASN A 58 8.867 6.241 4.527 1.00 0.00 C ATOM 839 CG ASN A 58 10.327 6.658 4.477 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.095 6.177 3.644 1.00 0.00 O ATOM 841 ND2 ASN A 58 10.718 7.557 5.374 1.00 0.00 N ATOM 0 H ASN A 58 6.719 7.215 3.119 1.00 0.00 H new ATOM 0 HA ASN A 58 9.146 5.635 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.274 7.061 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.758 5.399 5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.687 7.874 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.049 7.930 6.047 1.00 0.00 H new ATOM 848 N VAL A 59 8.103 3.425 3.310 1.00 0.00 N ATOM 849 CA VAL A 59 7.396 2.149 3.417 1.00 0.00 C ATOM 850 C VAL A 59 8.116 1.186 4.364 1.00 0.00 C ATOM 851 O VAL A 59 9.347 1.163 4.421 1.00 0.00 O ATOM 852 CB VAL A 59 7.234 1.485 2.029 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.591 1.221 1.387 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.422 0.199 2.131 1.00 0.00 C ATOM 0 H VAL A 59 9.119 3.341 3.267 1.00 0.00 H new ATOM 0 HA VAL A 59 6.409 2.365 3.826 1.00 0.00 H new ATOM 0 HB VAL A 59 6.689 2.178 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.448 0.754 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.124 2.163 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.173 0.556 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.323 -0.248 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.929 -0.500 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.432 0.424 2.528 1.00 0.00 H new ATOM 864 N LEU A 60 7.339 0.386 5.096 1.00 0.00 N ATOM 865 CA LEU A 60 7.898 -0.586 6.029 1.00 0.00 C ATOM 866 C LEU A 60 7.787 -1.995 5.459 1.00 0.00 C ATOM 867 O LEU A 60 6.685 -2.487 5.210 1.00 0.00 O ATOM 868 CB LEU A 60 7.183 -0.510 7.381 1.00 0.00 C ATOM 869 CG LEU A 60 8.064 -0.806 8.599 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.752 -2.157 8.455 1.00 0.00 C ATOM 871 CD2 LEU A 60 9.090 0.302 8.793 1.00 0.00 C ATOM 0 H LEU A 60 6.320 0.394 5.059 1.00 0.00 H new ATOM 0 HA LEU A 60 8.951 -0.348 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.757 0.487 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.351 -1.214 7.374 1.00 0.00 H new ATOM 0 HG LEU A 60 7.426 -0.845 9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.372 -2.345 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.000 -2.941 8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.378 -2.153 7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.708 0.077 9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.721 0.373 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.576 1.251 8.949 1.00 0.00 H new ATOM 883 N ARG A 61 8.931 -2.639 5.254 1.00 0.00 N ATOM 884 CA ARG A 61 8.966 -3.993 4.711 1.00 0.00 C ATOM 885 C ARG A 61 9.944 -4.872 5.488 1.00 0.00 C ATOM 886 O ARG A 61 10.979 -4.398 5.957 1.00 0.00 O ATOM 887 CB ARG A 61 9.346 -3.958 3.223 1.00 0.00 C ATOM 888 CG ARG A 61 10.724 -3.370 2.946 1.00 0.00 C ATOM 889 CD ARG A 61 10.685 -1.847 2.888 1.00 0.00 C ATOM 890 NE ARG A 61 11.700 -1.305 1.986 1.00 0.00 N ATOM 891 CZ ARG A 61 11.576 -1.266 0.656 1.00 0.00 C ATOM 892 NH1 ARG A 61 10.490 -1.756 0.063 1.00 0.00 N ATOM 893 NH2 ARG A 61 12.546 -0.738 -0.083 1.00 0.00 N ATOM 0 H ARG A 61 9.849 -2.244 5.456 1.00 0.00 H new ATOM 0 HA ARG A 61 7.971 -4.425 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.309 -4.972 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.599 -3.377 2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.418 -3.687 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.103 -3.761 2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.698 -1.522 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.837 -1.442 3.889 1.00 0.00 H new ATOM 0 HE ARG A 61 12.556 -0.933 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.743 -2.166 0.624 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.404 -1.722 -0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.382 -0.364 0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.454 -0.707 -1.098 1.00 0.00 H new ATOM 907 N ASN A 62 9.605 -6.156 5.620 1.00 0.00 N ATOM 908 CA ASN A 62 10.452 -7.114 6.341 1.00 0.00 C ATOM 909 C ASN A 62 11.831 -7.258 5.687 1.00 0.00 C ATOM 910 O ASN A 62 12.761 -7.785 6.301 1.00 0.00 O ATOM 911 CB ASN A 62 9.769 -8.486 6.409 1.00 0.00 C ATOM 912 CG ASN A 62 8.481 -8.461 7.214 1.00 0.00 C ATOM 913 OD1 ASN A 62 7.633 -7.588 7.025 1.00 0.00 O ATOM 914 ND2 ASN A 62 8.326 -9.425 8.117 1.00 0.00 N ATOM 0 H ASN A 62 8.750 -6.559 5.237 1.00 0.00 H new ATOM 0 HA ASN A 62 10.594 -6.726 7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.554 -8.831 5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.456 -9.207 6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.480 -9.460 8.685 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.054 -10.129 8.242 1.00 0.00 H new ATOM 921 N GLY A 63 11.960 -6.793 4.440 1.00 0.00 N ATOM 922 CA GLY A 63 13.226 -6.887 3.733 1.00 0.00 C ATOM 923 C GLY A 63 13.177 -7.854 2.559 1.00 0.00 C ATOM 924 O GLY A 63 14.210 -8.382 2.142 1.00 0.00 O ATOM 0 H GLY A 63 11.207 -6.353 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.509 -5.898 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.002 -7.206 4.428 1.00 0.00 H new ATOM 928 N GLU A 64 11.976 -8.088 2.028 1.00 0.00 N ATOM 929 CA GLU A 64 11.786 -8.993 0.900 1.00 0.00 C ATOM 930 C GLU A 64 11.555 -8.214 -0.392 1.00 0.00 C ATOM 931 O GLU A 64 11.288 -7.010 -0.363 1.00 0.00 O ATOM 932 CB GLU A 64 10.594 -9.919 1.168 1.00 0.00 C ATOM 933 CG GLU A 64 10.746 -11.311 0.571 1.00 0.00 C ATOM 934 CD GLU A 64 10.091 -11.446 -0.796 1.00 0.00 C ATOM 935 OE1 GLU A 64 9.000 -10.871 -0.997 1.00 0.00 O ATOM 936 OE2 GLU A 64 10.671 -12.132 -1.663 1.00 0.00 O ATOM 0 H GLU A 64 11.115 -7.658 2.367 1.00 0.00 H new ATOM 0 HA GLU A 64 12.691 -9.590 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.453 -10.010 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.692 -9.459 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.806 -11.550 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.309 -12.042 1.251 1.00 0.00 H new ATOM 943 N ALA A 65 11.655 -8.909 -1.522 1.00 0.00 N ATOM 944 CA ALA A 65 11.454 -8.292 -2.829 1.00 0.00 C ATOM 945 C ALA A 65 10.026 -7.766 -2.971 1.00 0.00 C ATOM 946 O ALA A 65 9.063 -8.526 -2.855 1.00 0.00 O ATOM 947 CB ALA A 65 11.760 -9.288 -3.940 1.00 0.00 C ATOM 0 H ALA A 65 11.875 -9.904 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 65 12.140 -7.449 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.605 -8.812 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.796 -9.617 -3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.098 -10.149 -3.849 1.00 0.00 H new ATOM 953 N ALA A 66 9.896 -6.463 -3.222 1.00 0.00 N ATOM 954 CA ALA A 66 8.582 -5.840 -3.379 1.00 0.00 C ATOM 955 C ALA A 66 7.799 -6.482 -4.520 1.00 0.00 C ATOM 956 O ALA A 66 8.177 -6.363 -5.689 1.00 0.00 O ATOM 957 CB ALA A 66 8.720 -4.341 -3.614 1.00 0.00 C ATOM 0 H ALA A 66 10.682 -5.820 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 66 8.028 -6.000 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.731 -3.898 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.226 -3.884 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.302 -4.167 -4.519 1.00 0.00 H new ATOM 963 N ALA A 67 6.708 -7.162 -4.176 1.00 0.00 N ATOM 964 CA ALA A 67 5.872 -7.823 -5.172 1.00 0.00 C ATOM 965 C ALA A 67 5.165 -6.802 -6.059 1.00 0.00 C ATOM 966 O ALA A 67 5.127 -5.611 -5.745 1.00 0.00 O ATOM 967 CB ALA A 67 4.857 -8.730 -4.494 1.00 0.00 C ATOM 0 H ALA A 67 6.383 -7.269 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 67 6.517 -8.431 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.241 -9.216 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.379 -9.488 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.222 -8.137 -3.835 1.00 0.00 H new ATOM 973 N LEU A 68 4.604 -7.277 -7.172 1.00 0.00 N ATOM 974 CA LEU A 68 3.898 -6.404 -8.106 1.00 0.00 C ATOM 975 C LEU A 68 3.043 -7.210 -9.086 1.00 0.00 C ATOM 976 O LEU A 68 1.856 -6.925 -9.258 1.00 0.00 O ATOM 977 CB LEU A 68 4.897 -5.537 -8.876 1.00 0.00 C ATOM 978 CG LEU A 68 4.512 -4.061 -9.016 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.756 -3.184 -9.021 1.00 0.00 C ATOM 980 CD2 LEU A 68 3.696 -3.840 -10.282 1.00 0.00 C ATOM 0 H LEU A 68 4.626 -8.259 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 68 3.234 -5.762 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.865 -5.597 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.025 -5.958 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 68 3.898 -3.782 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.464 -2.139 -9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.301 -3.320 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.395 -3.464 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.431 -2.786 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.285 -4.136 -11.150 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.787 -4.440 -10.238 1.00 0.00 H new ATOM 992 N GLY A 69 3.650 -8.214 -9.723 1.00 0.00 N ATOM 993 CA GLY A 69 2.927 -9.042 -10.679 1.00 0.00 C ATOM 994 C GLY A 69 2.503 -10.386 -10.105 1.00 0.00 C ATOM 995 O GLY A 69 2.377 -11.364 -10.842 1.00 0.00 O ATOM 0 H GLY A 69 4.629 -8.468 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.042 -8.504 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.555 -9.209 -11.554 1.00 0.00 H new ATOM 999 N GLU A 70 2.276 -10.434 -8.792 1.00 0.00 N ATOM 1000 CA GLU A 70 1.857 -11.667 -8.132 1.00 0.00 C ATOM 1001 C GLU A 70 1.293 -11.379 -6.743 1.00 0.00 C ATOM 1002 O GLU A 70 2.045 -11.147 -5.795 1.00 0.00 O ATOM 1003 CB GLU A 70 3.036 -12.638 -8.024 1.00 0.00 C ATOM 1004 CG GLU A 70 2.738 -14.022 -8.577 1.00 0.00 C ATOM 1005 CD GLU A 70 3.997 -14.838 -8.804 1.00 0.00 C ATOM 1006 OE1 GLU A 70 4.763 -15.030 -7.837 1.00 0.00 O ATOM 1007 OE2 GLU A 70 4.216 -15.281 -9.951 1.00 0.00 O ATOM 0 H GLU A 70 2.375 -9.634 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 70 1.072 -12.123 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.890 -12.220 -8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.326 -12.729 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.084 -14.553 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.196 -13.925 -9.518 1.00 0.00 H new ATOM 1014 N ALA A 71 -0.034 -11.401 -6.627 1.00 0.00 N ATOM 1015 CA ALA A 71 -0.695 -11.153 -5.347 1.00 0.00 C ATOM 1016 C ALA A 71 -0.351 -12.239 -4.326 1.00 0.00 C ATOM 1017 O ALA A 71 -0.370 -11.996 -3.120 1.00 0.00 O ATOM 1018 CB ALA A 71 -2.203 -11.065 -5.528 1.00 0.00 C ATOM 0 H ALA A 71 -0.671 -11.587 -7.402 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.330 -10.199 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.675 -10.880 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.441 -10.249 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.575 -12.003 -5.940 1.00 0.00 H new ATOM 1024 N THR A 72 -0.032 -13.438 -4.823 1.00 0.00 N ATOM 1025 CA THR A 72 0.321 -14.566 -3.965 1.00 0.00 C ATOM 1026 C THR A 72 1.845 -14.694 -3.814 1.00 0.00 C ATOM 1027 O THR A 72 2.387 -15.798 -3.752 1.00 0.00 O ATOM 1028 CB THR A 72 -0.287 -15.857 -4.534 1.00 0.00 C ATOM 1029 OG1 THR A 72 -0.085 -16.945 -3.650 1.00 0.00 O ATOM 1030 CG2 THR A 72 0.272 -16.252 -5.887 1.00 0.00 C ATOM 0 H THR A 72 -0.012 -13.650 -5.821 1.00 0.00 H new ATOM 0 HA THR A 72 -0.089 -14.391 -2.970 1.00 0.00 H new ATOM 0 HB THR A 72 -1.348 -15.637 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.871 -17.035 -3.455 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.205 -17.172 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.077 -15.458 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.347 -16.410 -5.804 1.00 0.00 H new ATOM 1038 N ALA A 73 2.528 -13.547 -3.742 1.00 0.00 N ATOM 1039 CA ALA A 73 3.982 -13.518 -3.585 1.00 0.00 C ATOM 1040 C ALA A 73 4.379 -13.727 -2.122 1.00 0.00 C ATOM 1041 O ALA A 73 3.526 -14.007 -1.276 1.00 0.00 O ATOM 1042 CB ALA A 73 4.540 -12.201 -4.110 1.00 0.00 C ATOM 0 H ALA A 73 2.094 -12.625 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 73 4.407 -14.335 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.623 -12.190 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.293 -12.096 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.104 -11.373 -3.552 1.00 0.00 H new ATOM 1048 N ALA A 74 5.674 -13.592 -1.827 1.00 0.00 N ATOM 1049 CA ALA A 74 6.174 -13.770 -0.466 1.00 0.00 C ATOM 1050 C ALA A 74 5.547 -12.757 0.495 1.00 0.00 C ATOM 1051 O ALA A 74 4.951 -13.141 1.503 1.00 0.00 O ATOM 1052 CB ALA A 74 7.693 -13.675 -0.431 1.00 0.00 C ATOM 0 H ALA A 74 6.393 -13.360 -2.513 1.00 0.00 H new ATOM 0 HA ALA A 74 5.884 -14.767 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.043 -13.811 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.121 -14.451 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.005 -12.696 -0.794 1.00 0.00 H new ATOM 1058 N GLY A 75 5.680 -11.467 0.183 1.00 0.00 N ATOM 1059 CA GLY A 75 5.112 -10.439 1.042 1.00 0.00 C ATOM 1060 C GLY A 75 5.291 -9.034 0.491 1.00 0.00 C ATOM 1061 O GLY A 75 6.384 -8.668 0.059 1.00 0.00 O ATOM 0 H GLY A 75 6.167 -11.118 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.049 -10.636 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.577 -10.499 2.026 1.00 0.00 H new ATOM 1065 N ASP A 76 4.212 -8.244 0.517 1.00 0.00 N ATOM 1066 CA ASP A 76 4.256 -6.867 0.025 1.00 0.00 C ATOM 1067 C ASP A 76 4.994 -5.966 1.017 1.00 0.00 C ATOM 1068 O ASP A 76 6.184 -5.688 0.847 1.00 0.00 O ATOM 1069 CB ASP A 76 2.832 -6.339 -0.232 1.00 0.00 C ATOM 1070 CG ASP A 76 2.601 -5.894 -1.671 1.00 0.00 C ATOM 1071 OD1 ASP A 76 3.542 -5.976 -2.491 1.00 0.00 O ATOM 1072 OD2 ASP A 76 1.473 -5.462 -1.977 1.00 0.00 O ATOM 0 H ASP A 76 3.302 -8.535 0.873 1.00 0.00 H new ATOM 0 HA ASP A 76 4.801 -6.856 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.113 -7.119 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.638 -5.499 0.436 1.00 0.00 H new ATOM 1077 N GLU A 77 4.288 -5.525 2.056 1.00 0.00 N ATOM 1078 CA GLU A 77 4.873 -4.666 3.085 1.00 0.00 C ATOM 1079 C GLU A 77 4.035 -4.715 4.363 1.00 0.00 C ATOM 1080 O GLU A 77 3.018 -5.408 4.420 1.00 0.00 O ATOM 1081 CB GLU A 77 4.994 -3.222 2.574 1.00 0.00 C ATOM 1082 CG GLU A 77 3.662 -2.579 2.202 1.00 0.00 C ATOM 1083 CD GLU A 77 3.222 -2.877 0.776 1.00 0.00 C ATOM 1084 OE1 GLU A 77 4.095 -3.053 -0.101 1.00 0.00 O ATOM 1085 OE2 GLU A 77 1.998 -2.932 0.537 1.00 0.00 O ATOM 0 H GLU A 77 3.305 -5.750 2.208 1.00 0.00 H new ATOM 0 HA GLU A 77 5.873 -5.034 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.476 -2.616 3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.647 -3.210 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.894 -2.929 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.740 -1.500 2.332 1.00 0.00 H new ATOM 1092 N LEU A 78 4.463 -3.974 5.385 1.00 0.00 N ATOM 1093 CA LEU A 78 3.745 -3.934 6.656 1.00 0.00 C ATOM 1094 C LEU A 78 2.908 -2.661 6.758 1.00 0.00 C ATOM 1095 O LEU A 78 1.768 -2.691 7.229 1.00 0.00 O ATOM 1096 CB LEU A 78 4.730 -4.008 7.827 1.00 0.00 C ATOM 1097 CG LEU A 78 5.164 -5.420 8.235 1.00 0.00 C ATOM 1098 CD1 LEU A 78 6.266 -5.350 9.279 1.00 0.00 C ATOM 1099 CD2 LEU A 78 3.979 -6.219 8.762 1.00 0.00 C ATOM 0 H LEU A 78 5.302 -3.395 5.356 1.00 0.00 H new ATOM 0 HA LEU A 78 3.079 -4.795 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.620 -3.434 7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.277 -3.522 8.691 1.00 0.00 H new ATOM 0 HG LEU A 78 5.551 -5.930 7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.565 -6.360 9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.124 -4.819 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.900 -4.821 10.159 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.311 -7.218 9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.559 -5.715 9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.218 -6.296 7.985 1.00 0.00 H new ATOM 1111 N ALA A 79 3.485 -1.543 6.313 1.00 0.00 N ATOM 1112 CA ALA A 79 2.809 -0.250 6.349 1.00 0.00 C ATOM 1113 C ALA A 79 3.461 0.736 5.379 1.00 0.00 C ATOM 1114 O ALA A 79 4.559 0.487 4.874 1.00 0.00 O ATOM 1115 CB ALA A 79 2.831 0.313 7.764 1.00 0.00 C ATOM 0 H ALA A 79 4.426 -1.510 5.921 1.00 0.00 H new ATOM 0 HA ALA A 79 1.774 -0.397 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.324 1.278 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.321 -0.376 8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.864 0.440 8.089 1.00 0.00 H new ATOM 1121 N LEU A 80 2.785 1.856 5.130 1.00 0.00 N ATOM 1122 CA LEU A 80 3.296 2.887 4.230 1.00 0.00 C ATOM 1123 C LEU A 80 3.037 4.275 4.812 1.00 0.00 C ATOM 1124 O LEU A 80 1.924 4.794 4.732 1.00 0.00 O ATOM 1125 CB LEU A 80 2.644 2.760 2.847 1.00 0.00 C ATOM 1126 CG LEU A 80 3.536 2.149 1.762 1.00 0.00 C ATOM 1127 CD1 LEU A 80 2.723 1.238 0.855 1.00 0.00 C ATOM 1128 CD2 LEU A 80 4.217 3.244 0.955 1.00 0.00 C ATOM 0 H LEU A 80 1.877 2.073 5.542 1.00 0.00 H new ATOM 0 HA LEU A 80 4.372 2.750 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.744 2.152 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.327 3.750 2.520 1.00 0.00 H new ATOM 0 HG LEU A 80 4.308 1.549 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.372 0.813 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.284 0.434 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.929 1.813 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.847 2.793 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.461 3.870 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.832 3.855 1.616 1.00 0.00 H new ATOM 1140 N PHE A 81 4.069 4.867 5.402 1.00 0.00 N ATOM 1141 CA PHE A 81 3.948 6.192 6.004 1.00 0.00 C ATOM 1142 C PHE A 81 4.970 7.158 5.408 1.00 0.00 C ATOM 1143 O PHE A 81 6.133 6.799 5.226 1.00 0.00 O ATOM 1144 CB PHE A 81 4.120 6.105 7.528 1.00 0.00 C ATOM 1145 CG PHE A 81 5.471 5.602 7.968 1.00 0.00 C ATOM 1146 CD1 PHE A 81 5.786 4.253 7.888 1.00 0.00 C ATOM 1147 CD2 PHE A 81 6.425 6.479 8.461 1.00 0.00 C ATOM 1148 CE1 PHE A 81 7.026 3.791 8.291 1.00 0.00 C ATOM 1149 CE2 PHE A 81 7.664 6.023 8.864 1.00 0.00 C ATOM 1150 CZ PHE A 81 7.966 4.677 8.779 1.00 0.00 C ATOM 0 H PHE A 81 4.998 4.452 5.477 1.00 0.00 H new ATOM 0 HA PHE A 81 2.951 6.575 5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.954 7.093 7.958 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.350 5.448 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.055 3.556 7.507 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.196 7.532 8.531 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.259 2.738 8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.397 6.718 9.246 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.935 4.319 9.094 1.00 0.00 H new ATOM 1160 N PRO A 82 4.551 8.400 5.099 1.00 0.00 N ATOM 1161 CA PRO A 82 5.446 9.410 4.528 1.00 0.00 C ATOM 1162 C PRO A 82 6.374 10.014 5.580 1.00 0.00 C ATOM 1163 O PRO A 82 6.005 10.118 6.751 1.00 0.00 O ATOM 1164 CB PRO A 82 4.481 10.463 3.989 1.00 0.00 C ATOM 1165 CG PRO A 82 3.282 10.362 4.866 1.00 0.00 C ATOM 1166 CD PRO A 82 3.181 8.917 5.282 1.00 0.00 C ATOM 0 HA PRO A 82 6.110 8.996 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.919 11.460 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.227 10.270 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.381 11.011 5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.384 10.677 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.852 8.821 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.463 8.373 4.668 1.00 0.00 H new ATOM 1174 N PRO A 83 7.596 10.418 5.174 1.00 0.00 N ATOM 1175 CA PRO A 83 8.583 11.015 6.087 1.00 0.00 C ATOM 1176 C PRO A 83 8.038 12.261 6.787 1.00 0.00 C ATOM 1177 O PRO A 83 8.125 13.371 6.259 1.00 0.00 O ATOM 1178 CB PRO A 83 9.753 11.381 5.164 1.00 0.00 C ATOM 1179 CG PRO A 83 9.589 10.509 3.967 1.00 0.00 C ATOM 1180 CD PRO A 83 8.110 10.320 3.796 1.00 0.00 C ATOM 0 HA PRO A 83 8.862 10.334 6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.725 12.436 4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.711 11.204 5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.028 10.972 3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.091 9.552 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.678 11.085 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.877 9.355 3.347 1.00 0.00 H new