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 -169:sc= 0 (180deg=-0.01) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.114 (180deg=-0.576) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 39 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-2) USER MOD Single : A 44 SER OG : rot 180:sc= -0.273 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0564 X(o=-0.056,f=-0.23) USER MOD Single : A 58 ASN : amide:sc= -0.981 K(o=-0.98,f=-2.4!) USER MOD Single : A 62 ASN : amide:sc= -1.42 X(o=-1.4,f=-0.92) USER MOD Single : A 72 THR OG1 : rot -48:sc= 0.902 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.931 -9.171 3.275 1.00 0.00 N ATOM 2 CA MET A 1 0.749 -8.881 2.415 1.00 0.00 C ATOM 3 C MET A 1 -0.175 -7.863 3.086 1.00 0.00 C ATOM 4 O MET A 1 -1.358 -8.128 3.308 1.00 0.00 O ATOM 5 CB MET A 1 0.002 -10.196 2.137 1.00 0.00 C ATOM 6 CG MET A 1 -0.319 -11.006 3.386 1.00 0.00 C ATOM 7 SD MET A 1 -1.319 -12.464 3.026 1.00 0.00 S ATOM 8 CE MET A 1 -0.161 -13.777 3.404 1.00 0.00 C ATOM 0 H1 MET A 1 2.355 -10.076 2.988 1.00 0.00 H new ATOM 0 H2 MET A 1 2.632 -8.411 3.169 1.00 0.00 H new ATOM 0 H3 MET A 1 1.631 -9.229 4.269 1.00 0.00 H new ATOM 0 HA MET A 1 1.084 -8.447 1.473 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.928 -9.970 1.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.604 -10.808 1.465 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.611 -11.316 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.848 -10.374 4.099 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.560 -14.727 3.048 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.791 -13.576 2.912 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.008 -13.828 4.482 1.00 0.00 H new ATOM 20 N GLU A 2 0.386 -6.698 3.417 1.00 0.00 N ATOM 21 CA GLU A 2 -0.375 -5.635 4.076 1.00 0.00 C ATOM 22 C GLU A 2 0.014 -4.257 3.543 1.00 0.00 C ATOM 23 O GLU A 2 0.934 -4.129 2.734 1.00 0.00 O ATOM 24 CB GLU A 2 -0.151 -5.687 5.590 1.00 0.00 C ATOM 25 CG GLU A 2 -0.206 -7.093 6.173 1.00 0.00 C ATOM 26 CD GLU A 2 -0.368 -7.097 7.683 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.357 -6.341 8.365 1.00 0.00 O ATOM 28 OE2 GLU A 2 -1.225 -7.857 8.184 1.00 0.00 O ATOM 0 H GLU A 2 1.364 -6.467 3.240 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.431 -5.798 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.819 -5.247 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.905 -5.071 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.036 -7.637 5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.707 -7.627 5.908 1.00 0.00 H new ATOM 35 N TRP A 3 -0.696 -3.231 4.018 1.00 0.00 N ATOM 36 CA TRP A 3 -0.443 -1.852 3.618 1.00 0.00 C ATOM 37 C TRP A 3 -0.931 -0.897 4.702 1.00 0.00 C ATOM 38 O TRP A 3 -2.121 -0.860 5.013 1.00 0.00 O ATOM 39 CB TRP A 3 -1.146 -1.531 2.290 1.00 0.00 C ATOM 40 CG TRP A 3 -0.413 -0.527 1.450 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.715 0.151 1.798 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.754 -0.084 0.129 1.00 0.00 C ATOM 43 NE1 TRP A 3 1.104 0.978 0.777 1.00 0.00 N ATOM 44 CE2 TRP A 3 0.219 0.857 -0.257 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.782 -0.390 -0.769 1.00 0.00 C ATOM 46 CZ2 TRP A 3 0.198 1.493 -1.495 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.803 0.245 -1.997 1.00 0.00 C ATOM 48 CH2 TRP A 3 -0.819 1.175 -2.350 1.00 0.00 C ATOM 0 H TRP A 3 -1.458 -3.336 4.688 1.00 0.00 H new ATOM 0 HA TRP A 3 0.631 -1.727 3.481 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.265 -2.452 1.719 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.147 -1.155 2.500 1.00 0.00 H new ATOM 0 HD1 TRP A 3 1.229 0.051 2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.923 1.586 0.787 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -2.545 -1.109 -0.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 0.957 2.211 -1.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -2.594 0.019 -2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -0.864 1.651 -3.318 1.00 0.00 H new ATOM 59 N LYS A 4 -0.014 -0.121 5.268 1.00 0.00 N ATOM 60 CA LYS A 4 -0.362 0.841 6.313 1.00 0.00 C ATOM 61 C LYS A 4 -0.413 2.248 5.729 1.00 0.00 C ATOM 62 O LYS A 4 0.343 2.573 4.816 1.00 0.00 O ATOM 63 CB LYS A 4 0.647 0.788 7.462 1.00 0.00 C ATOM 64 CG LYS A 4 0.577 -0.491 8.282 1.00 0.00 C ATOM 65 CD LYS A 4 1.457 -0.404 9.521 1.00 0.00 C ATOM 66 CE LYS A 4 0.636 -0.465 10.801 1.00 0.00 C ATOM 67 NZ LYS A 4 0.285 -1.864 11.179 1.00 0.00 N ATOM 0 H LYS A 4 0.976 -0.137 5.023 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.344 0.579 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.653 0.893 7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.479 1.640 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.455 -0.679 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.891 -1.336 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.179 -1.221 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.027 0.525 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.196 -0.001 11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.278 0.115 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.274 -1.857 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.272 -2.300 10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.156 -2.412 11.328 1.00 0.00 H new ATOM 81 N LEU A 5 -1.319 3.075 6.245 1.00 0.00 N ATOM 82 CA LEU A 5 -1.465 4.439 5.745 1.00 0.00 C ATOM 83 C LEU A 5 -1.622 5.445 6.884 1.00 0.00 C ATOM 84 O LEU A 5 -2.352 5.200 7.842 1.00 0.00 O ATOM 85 CB LEU A 5 -2.672 4.514 4.804 1.00 0.00 C ATOM 86 CG LEU A 5 -2.584 5.583 3.713 1.00 0.00 C ATOM 87 CD1 LEU A 5 -2.835 4.975 2.341 1.00 0.00 C ATOM 88 CD2 LEU A 5 -3.573 6.702 3.987 1.00 0.00 C ATOM 0 H LEU A 5 -1.957 2.828 7.001 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.557 4.699 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.802 3.542 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.566 4.699 5.400 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.577 5.999 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.768 5.753 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.088 4.207 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.829 4.529 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.498 7.454 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.585 6.297 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.347 7.159 4.950 1.00 0.00 H new ATOM 100 N PHE A 6 -0.936 6.584 6.770 1.00 0.00 N ATOM 101 CA PHE A 6 -1.014 7.630 7.791 1.00 0.00 C ATOM 102 C PHE A 6 -2.120 8.632 7.453 1.00 0.00 C ATOM 103 O PHE A 6 -2.589 8.687 6.316 1.00 0.00 O ATOM 104 CB PHE A 6 0.330 8.360 7.921 1.00 0.00 C ATOM 105 CG PHE A 6 1.036 8.103 9.226 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.361 8.218 10.432 1.00 0.00 C ATOM 107 CD2 PHE A 6 2.376 7.749 9.245 1.00 0.00 C ATOM 108 CE1 PHE A 6 1.009 7.982 11.630 1.00 0.00 C ATOM 109 CE2 PHE A 6 3.028 7.512 10.440 1.00 0.00 C ATOM 110 CZ PHE A 6 2.344 7.629 11.633 1.00 0.00 C ATOM 0 H PHE A 6 -0.323 6.805 5.985 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.249 7.155 8.743 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.980 8.055 7.101 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.163 9.432 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.683 8.495 10.435 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.917 7.657 8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.472 8.074 12.562 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.072 7.235 10.440 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.852 7.445 12.568 1.00 0.00 H new ATOM 120 N ALA A 7 -2.529 9.427 8.448 1.00 0.00 N ATOM 121 CA ALA A 7 -3.581 10.431 8.252 1.00 0.00 C ATOM 122 C ALA A 7 -3.269 11.345 7.072 1.00 0.00 C ATOM 123 O ALA A 7 -4.182 11.846 6.415 1.00 0.00 O ATOM 124 CB ALA A 7 -3.785 11.259 9.509 1.00 0.00 C ATOM 0 H ALA A 7 -2.149 9.395 9.394 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.503 9.892 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.570 11.995 9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.075 10.606 10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.857 11.771 9.762 1.00 0.00 H new ATOM 130 N ASP A 8 -1.977 11.547 6.798 1.00 0.00 N ATOM 131 CA ASP A 8 -1.547 12.387 5.681 1.00 0.00 C ATOM 132 C ASP A 8 -2.314 12.025 4.406 1.00 0.00 C ATOM 133 O ASP A 8 -2.681 12.896 3.620 1.00 0.00 O ATOM 134 CB ASP A 8 -0.041 12.226 5.448 1.00 0.00 C ATOM 135 CG ASP A 8 0.572 13.427 4.755 1.00 0.00 C ATOM 136 OD1 ASP A 8 0.745 14.471 5.418 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.882 13.322 3.550 1.00 0.00 O ATOM 0 H ASP A 8 -1.212 11.139 7.336 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.760 13.426 5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.457 12.070 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.137 11.334 4.847 1.00 0.00 H new ATOM 142 N LEU A 9 -2.551 10.725 4.221 1.00 0.00 N ATOM 143 CA LEU A 9 -3.276 10.225 3.057 1.00 0.00 C ATOM 144 C LEU A 9 -4.560 9.487 3.468 1.00 0.00 C ATOM 145 O LEU A 9 -5.325 9.056 2.610 1.00 0.00 O ATOM 146 CB LEU A 9 -2.374 9.290 2.240 1.00 0.00 C ATOM 147 CG LEU A 9 -1.022 9.882 1.818 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.027 9.665 2.900 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.562 9.274 0.500 1.00 0.00 C ATOM 0 H LEU A 9 -2.248 9.997 4.868 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.562 11.081 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.190 8.388 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.913 8.984 1.343 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.150 10.956 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.976 10.093 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.295 10.150 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.152 8.597 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.398 9.705 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.456 8.195 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.298 9.486 -0.275 1.00 0.00 H new ATOM 161 N ALA A 10 -4.800 9.346 4.777 1.00 0.00 N ATOM 162 CA ALA A 10 -6.003 8.662 5.263 1.00 0.00 C ATOM 163 C ALA A 10 -7.149 9.646 5.526 1.00 0.00 C ATOM 164 O ALA A 10 -8.282 9.233 5.775 1.00 0.00 O ATOM 165 CB ALA A 10 -5.694 7.859 6.522 1.00 0.00 C ATOM 0 H ALA A 10 -4.184 9.693 5.512 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.327 7.977 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.600 7.359 6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.930 7.114 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.331 8.529 7.301 1.00 0.00 H new ATOM 171 N GLU A 11 -6.850 10.947 5.469 1.00 0.00 N ATOM 172 CA GLU A 11 -7.856 11.986 5.697 1.00 0.00 C ATOM 173 C GLU A 11 -9.047 11.816 4.753 1.00 0.00 C ATOM 174 O GLU A 11 -10.200 11.914 5.175 1.00 0.00 O ATOM 175 CB GLU A 11 -7.237 13.374 5.507 1.00 0.00 C ATOM 176 CG GLU A 11 -7.614 14.366 6.599 1.00 0.00 C ATOM 177 CD GLU A 11 -6.721 15.594 6.616 1.00 0.00 C ATOM 178 OE1 GLU A 11 -6.387 16.107 5.526 1.00 0.00 O ATOM 179 OE2 GLU A 11 -6.357 16.046 7.723 1.00 0.00 O ATOM 0 H GLU A 11 -5.917 11.305 5.266 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.213 11.888 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.152 13.277 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.550 13.773 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.649 14.678 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.559 13.870 7.568 1.00 0.00 H new ATOM 186 N VAL A 12 -8.762 11.552 3.476 1.00 0.00 N ATOM 187 CA VAL A 12 -9.817 11.364 2.482 1.00 0.00 C ATOM 188 C VAL A 12 -10.160 9.881 2.317 1.00 0.00 C ATOM 189 O VAL A 12 -11.297 9.532 1.998 1.00 0.00 O ATOM 190 CB VAL A 12 -9.422 11.951 1.110 1.00 0.00 C ATOM 191 CG1 VAL A 12 -10.621 11.973 0.173 1.00 0.00 C ATOM 192 CG2 VAL A 12 -8.835 13.347 1.272 1.00 0.00 C ATOM 0 H VAL A 12 -7.814 11.464 3.109 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.693 11.898 2.850 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.657 11.311 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.323 12.390 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.990 10.957 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.410 12.588 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.563 13.743 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.574 14.001 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.948 13.298 1.903 1.00 0.00 H new ATOM 202 N ALA A 13 -9.169 9.016 2.536 1.00 0.00 N ATOM 203 CA ALA A 13 -9.366 7.575 2.412 1.00 0.00 C ATOM 204 C ALA A 13 -10.258 7.033 3.524 1.00 0.00 C ATOM 205 O ALA A 13 -11.113 6.181 3.282 1.00 0.00 O ATOM 206 CB ALA A 13 -8.025 6.851 2.418 1.00 0.00 C ATOM 0 H ALA A 13 -8.223 9.290 2.800 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.866 7.393 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.191 5.778 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.420 7.199 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.504 7.058 3.353 1.00 0.00 H new ATOM 212 N GLY A 14 -10.042 7.517 4.748 1.00 0.00 N ATOM 213 CA GLY A 14 -10.827 7.050 5.879 1.00 0.00 C ATOM 214 C GLY A 14 -10.241 5.797 6.517 1.00 0.00 C ATOM 215 O GLY A 14 -10.717 5.350 7.563 1.00 0.00 O ATOM 0 H GLY A 14 -9.340 8.221 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.887 7.841 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.846 6.844 5.550 1.00 0.00 H new ATOM 219 N SER A 15 -9.205 5.231 5.889 1.00 0.00 N ATOM 220 CA SER A 15 -8.556 4.030 6.399 1.00 0.00 C ATOM 221 C SER A 15 -7.038 4.190 6.407 1.00 0.00 C ATOM 222 O SER A 15 -6.476 4.934 5.600 1.00 0.00 O ATOM 223 CB SER A 15 -8.947 2.814 5.556 1.00 0.00 C ATOM 224 OG SER A 15 -9.239 1.696 6.376 1.00 0.00 O ATOM 0 H SER A 15 -8.801 5.591 5.024 1.00 0.00 H new ATOM 0 HA SER A 15 -8.892 3.876 7.424 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.816 3.056 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.135 2.565 4.873 1.00 0.00 H new ATOM 0 HG SER A 15 -9.488 0.933 5.813 1.00 0.00 H new ATOM 230 N ARG A 16 -6.385 3.480 7.324 1.00 0.00 N ATOM 231 CA ARG A 16 -4.937 3.521 7.456 1.00 0.00 C ATOM 232 C ARG A 16 -4.323 2.190 7.024 1.00 0.00 C ATOM 233 O ARG A 16 -3.769 2.083 5.930 1.00 0.00 O ATOM 234 CB ARG A 16 -4.526 3.856 8.903 1.00 0.00 C ATOM 235 CG ARG A 16 -5.599 3.577 9.949 1.00 0.00 C ATOM 236 CD ARG A 16 -5.096 3.873 11.354 1.00 0.00 C ATOM 237 NE ARG A 16 -4.792 2.653 12.102 1.00 0.00 N ATOM 238 CZ ARG A 16 -4.178 2.637 13.289 1.00 0.00 C ATOM 239 NH1 ARG A 16 -3.798 3.774 13.868 1.00 0.00 N ATOM 240 NH2 ARG A 16 -3.945 1.482 13.900 1.00 0.00 N ATOM 0 H ARG A 16 -6.846 2.863 7.993 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.560 4.308 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.634 3.283 9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.253 4.910 8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.479 4.185 9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.910 2.534 9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.201 4.493 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.848 4.450 11.893 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.065 1.760 11.692 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.975 4.666 13.406 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.330 3.753 14.774 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.235 0.607 13.464 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.476 1.470 14.806 1.00 0.00 H new ATOM 254 N THR A 17 -4.418 1.179 7.886 1.00 0.00 N ATOM 255 CA THR A 17 -3.861 -0.138 7.586 1.00 0.00 C ATOM 256 C THR A 17 -4.925 -1.078 7.013 1.00 0.00 C ATOM 257 O THR A 17 -6.053 -1.129 7.504 1.00 0.00 O ATOM 258 CB THR A 17 -3.221 -0.752 8.840 1.00 0.00 C ATOM 259 OG1 THR A 17 -4.184 -1.435 9.625 1.00 0.00 O ATOM 260 CG2 THR A 17 -2.548 0.263 9.738 1.00 0.00 C ATOM 0 H THR A 17 -4.874 1.247 8.796 1.00 0.00 H new ATOM 0 HA THR A 17 -3.089 -0.006 6.828 1.00 0.00 H new ATOM 0 HB THR A 17 -2.464 -1.436 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.750 -1.817 10.416 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.119 -0.244 10.602 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.757 0.770 9.185 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.282 0.995 10.074 1.00 0.00 H new ATOM 268 N VAL A 18 -4.547 -1.817 5.970 1.00 0.00 N ATOM 269 CA VAL A 18 -5.449 -2.764 5.315 1.00 0.00 C ATOM 270 C VAL A 18 -4.685 -4.006 4.846 1.00 0.00 C ATOM 271 O VAL A 18 -3.747 -3.902 4.054 1.00 0.00 O ATOM 272 CB VAL A 18 -6.155 -2.129 4.094 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.328 -2.989 3.639 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.617 -0.712 4.408 1.00 0.00 C ATOM 0 H VAL A 18 -3.615 -1.777 5.558 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.200 -3.046 6.053 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.434 -2.077 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.809 -2.523 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.967 -3.979 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.048 -3.081 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.110 -0.288 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.316 -0.734 5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.756 -0.099 4.672 1.00 0.00 H new ATOM 284 N ARG A 19 -5.095 -5.175 5.336 1.00 0.00 N ATOM 285 CA ARG A 19 -4.450 -6.435 4.961 1.00 0.00 C ATOM 286 C ARG A 19 -5.266 -7.172 3.898 1.00 0.00 C ATOM 287 O ARG A 19 -6.489 -7.031 3.837 1.00 0.00 O ATOM 288 CB ARG A 19 -4.259 -7.329 6.192 1.00 0.00 C ATOM 289 CG ARG A 19 -5.530 -7.557 6.996 1.00 0.00 C ATOM 290 CD ARG A 19 -5.418 -6.970 8.394 1.00 0.00 C ATOM 291 NE ARG A 19 -4.735 -7.876 9.319 1.00 0.00 N ATOM 292 CZ ARG A 19 -4.177 -7.488 10.467 1.00 0.00 C ATOM 293 NH1 ARG A 19 -4.220 -6.211 10.843 1.00 0.00 N ATOM 294 NH2 ARG A 19 -3.573 -8.378 11.246 1.00 0.00 N ATOM 0 H ARG A 19 -5.869 -5.277 5.992 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.472 -6.200 4.542 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.867 -8.294 5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.507 -6.880 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.376 -7.105 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.732 -8.626 7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.877 -6.025 8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.415 -6.748 8.774 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.683 -8.864 9.071 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.682 -5.520 10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.791 -5.924 11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.536 -9.358 10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.146 -8.081 12.124 1.00 0.00 H new ATOM 308 N VAL A 20 -4.584 -7.958 3.061 1.00 0.00 N ATOM 309 CA VAL A 20 -5.254 -8.713 2.002 1.00 0.00 C ATOM 310 C VAL A 20 -5.067 -10.220 2.191 1.00 0.00 C ATOM 311 O VAL A 20 -3.939 -10.719 2.217 1.00 0.00 O ATOM 312 CB VAL A 20 -4.754 -8.299 0.598 1.00 0.00 C ATOM 313 CG1 VAL A 20 -3.265 -8.581 0.441 1.00 0.00 C ATOM 314 CG2 VAL A 20 -5.558 -9.005 -0.486 1.00 0.00 C ATOM 0 H VAL A 20 -3.573 -8.087 3.096 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.316 -8.477 2.073 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.902 -7.225 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.941 -8.280 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.707 -8.018 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.080 -9.647 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.192 -8.701 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.448 -10.084 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.610 -8.736 -0.392 1.00 0.00 H new ATOM 324 N ASP A 21 -6.183 -10.935 2.326 1.00 0.00 N ATOM 325 CA ASP A 21 -6.160 -12.382 2.517 1.00 0.00 C ATOM 326 C ASP A 21 -6.756 -13.109 1.308 1.00 0.00 C ATOM 327 O ASP A 21 -6.323 -14.210 0.962 1.00 0.00 O ATOM 328 CB ASP A 21 -6.927 -12.765 3.789 1.00 0.00 C ATOM 329 CG ASP A 21 -8.079 -11.823 4.096 1.00 0.00 C ATOM 330 OD1 ASP A 21 -7.837 -10.782 4.745 1.00 0.00 O ATOM 331 OD2 ASP A 21 -9.217 -12.123 3.682 1.00 0.00 O ATOM 0 H ASP A 21 -7.119 -10.531 2.306 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.119 -12.689 2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.313 -13.779 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.238 -12.774 4.633 1.00 0.00 H new ATOM 336 N VAL A 22 -7.752 -12.489 0.672 1.00 0.00 N ATOM 337 CA VAL A 22 -8.406 -13.071 -0.492 1.00 0.00 C ATOM 338 C VAL A 22 -7.671 -12.700 -1.781 1.00 0.00 C ATOM 339 O VAL A 22 -7.309 -11.540 -1.988 1.00 0.00 O ATOM 340 CB VAL A 22 -9.875 -12.612 -0.599 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.753 -13.365 0.391 1.00 0.00 C ATOM 342 CG2 VAL A 22 -9.998 -11.107 -0.393 1.00 0.00 C ATOM 0 H VAL A 22 -8.122 -11.579 0.949 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.380 -14.153 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.222 -12.842 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.784 -13.024 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.704 -14.434 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.401 -13.178 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.044 -10.813 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.623 -10.843 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.415 -10.587 -1.153 1.00 0.00 H new ATOM 352 N ASP A 23 -7.455 -13.691 -2.647 1.00 0.00 N ATOM 353 CA ASP A 23 -6.763 -13.467 -3.915 1.00 0.00 C ATOM 354 C ASP A 23 -7.685 -13.762 -5.096 1.00 0.00 C ATOM 355 O ASP A 23 -8.375 -14.782 -5.117 1.00 0.00 O ATOM 356 CB ASP A 23 -5.508 -14.339 -4.009 1.00 0.00 C ATOM 357 CG ASP A 23 -4.543 -14.112 -2.860 1.00 0.00 C ATOM 358 OD1 ASP A 23 -4.206 -12.941 -2.586 1.00 0.00 O ATOM 359 OD2 ASP A 23 -4.120 -15.109 -2.237 1.00 0.00 O ATOM 0 H ASP A 23 -7.749 -14.655 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.468 -12.418 -3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.802 -15.389 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.999 -14.133 -4.950 1.00 0.00 H new ATOM 364 N GLY A 24 -7.688 -12.860 -6.079 1.00 0.00 N ATOM 365 CA GLY A 24 -8.526 -13.044 -7.253 1.00 0.00 C ATOM 366 C GLY A 24 -8.010 -12.286 -8.465 1.00 0.00 C ATOM 367 O GLY A 24 -6.984 -12.653 -9.038 1.00 0.00 O ATOM 0 H GLY A 24 -7.127 -12.008 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.583 -14.106 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.540 -12.713 -7.027 1.00 0.00 H new ATOM 371 N ASP A 25 -8.723 -11.228 -8.854 1.00 0.00 N ATOM 372 CA ASP A 25 -8.327 -10.419 -10.006 1.00 0.00 C ATOM 373 C ASP A 25 -7.590 -9.150 -9.572 1.00 0.00 C ATOM 374 O ASP A 25 -7.583 -8.146 -10.289 1.00 0.00 O ATOM 375 CB ASP A 25 -9.561 -10.056 -10.842 1.00 0.00 C ATOM 376 CG ASP A 25 -9.402 -10.417 -12.308 1.00 0.00 C ATOM 377 OD1 ASP A 25 -8.855 -11.502 -12.599 1.00 0.00 O ATOM 378 OD2 ASP A 25 -9.828 -9.616 -13.165 1.00 0.00 O ATOM 0 H ASP A 25 -9.575 -10.913 -8.390 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.642 -11.011 -10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.433 -10.570 -10.438 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.753 -8.987 -10.754 1.00 0.00 H new ATOM 383 N ALA A 26 -6.961 -9.203 -8.396 1.00 0.00 N ATOM 384 CA ALA A 26 -6.213 -8.066 -7.868 1.00 0.00 C ATOM 385 C ALA A 26 -4.747 -8.437 -7.649 1.00 0.00 C ATOM 386 O ALA A 26 -4.441 -9.555 -7.235 1.00 0.00 O ATOM 387 CB ALA A 26 -6.841 -7.584 -6.565 1.00 0.00 C ATOM 0 H ALA A 26 -6.956 -10.025 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.253 -7.257 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.275 -6.736 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.871 -7.279 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.826 -8.392 -5.833 1.00 0.00 H new ATOM 393 N THR A 27 -3.847 -7.496 -7.937 1.00 0.00 N ATOM 394 CA THR A 27 -2.411 -7.732 -7.773 1.00 0.00 C ATOM 395 C THR A 27 -1.811 -6.784 -6.735 1.00 0.00 C ATOM 396 O THR A 27 -2.507 -5.923 -6.195 1.00 0.00 O ATOM 397 CB THR A 27 -1.683 -7.587 -9.116 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.606 -7.534 -10.194 1.00 0.00 O ATOM 399 CG2 THR A 27 -0.728 -8.725 -9.393 1.00 0.00 C ATOM 0 H THR A 27 -4.085 -6.567 -8.284 1.00 0.00 H new ATOM 0 HA THR A 27 -2.279 -8.753 -7.414 1.00 0.00 H new ATOM 0 HB THR A 27 -1.118 -6.658 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.118 -7.440 -11.038 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.243 -8.567 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.028 -8.765 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.279 -9.665 -9.414 1.00 0.00 H new ATOM 407 N VAL A 28 -0.515 -6.945 -6.463 1.00 0.00 N ATOM 408 CA VAL A 28 0.176 -6.104 -5.493 1.00 0.00 C ATOM 409 C VAL A 28 0.498 -4.754 -6.110 1.00 0.00 C ATOM 410 O VAL A 28 0.189 -3.709 -5.537 1.00 0.00 O ATOM 411 CB VAL A 28 1.482 -6.760 -4.992 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.128 -5.914 -3.905 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.222 -8.174 -4.488 1.00 0.00 C ATOM 0 H VAL A 28 0.075 -7.651 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.490 -5.975 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 28 2.172 -6.821 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.046 -6.395 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.361 -4.926 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.440 -5.814 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.157 -8.614 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.509 -8.141 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.814 -8.780 -5.297 1.00 0.00 H new ATOM 423 N GLY A 29 1.105 -4.785 -7.295 1.00 0.00 N ATOM 424 CA GLY A 29 1.442 -3.562 -7.983 1.00 0.00 C ATOM 425 C GLY A 29 0.241 -2.946 -8.676 1.00 0.00 C ATOM 426 O GLY A 29 0.196 -1.734 -8.890 1.00 0.00 O ATOM 0 H GLY A 29 1.367 -5.640 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.854 -2.848 -7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.220 -3.763 -8.719 1.00 0.00 H new ATOM 430 N ASP A 30 -0.741 -3.788 -9.020 1.00 0.00 N ATOM 431 CA ASP A 30 -1.959 -3.331 -9.685 1.00 0.00 C ATOM 432 C ASP A 30 -2.703 -2.308 -8.824 1.00 0.00 C ATOM 433 O ASP A 30 -3.226 -1.317 -9.337 1.00 0.00 O ATOM 434 CB ASP A 30 -2.864 -4.528 -9.990 1.00 0.00 C ATOM 435 CG ASP A 30 -4.252 -4.122 -10.452 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.357 -3.446 -11.499 1.00 0.00 O ATOM 437 OD2 ASP A 30 -5.233 -4.483 -9.770 1.00 0.00 O ATOM 0 H ASP A 30 -0.712 -4.793 -8.846 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.681 -2.845 -10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.397 -5.143 -10.759 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.951 -5.147 -9.097 1.00 0.00 H new ATOM 442 N ALA A 31 -2.736 -2.552 -7.514 1.00 0.00 N ATOM 443 CA ALA A 31 -3.401 -1.652 -6.579 1.00 0.00 C ATOM 444 C ALA A 31 -2.447 -0.562 -6.105 1.00 0.00 C ATOM 445 O ALA A 31 -2.861 0.570 -5.855 1.00 0.00 O ATOM 446 CB ALA A 31 -3.954 -2.426 -5.389 1.00 0.00 C ATOM 0 H ALA A 31 -2.308 -3.369 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.232 -1.178 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.446 -1.736 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.674 -3.166 -5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.138 -2.931 -4.872 1.00 0.00 H new ATOM 452 N LEU A 32 -1.163 -0.904 -5.991 1.00 0.00 N ATOM 453 CA LEU A 32 -0.151 0.054 -5.557 1.00 0.00 C ATOM 454 C LEU A 32 -0.087 1.236 -6.521 1.00 0.00 C ATOM 455 O LEU A 32 -0.272 2.384 -6.121 1.00 0.00 O ATOM 456 CB LEU A 32 1.222 -0.619 -5.462 1.00 0.00 C ATOM 457 CG LEU A 32 2.121 -0.106 -4.332 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.254 -1.159 -3.242 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.491 0.282 -4.875 1.00 0.00 C ATOM 0 H LEU A 32 -0.802 -1.836 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.430 0.420 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.075 -1.691 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.743 -0.482 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 32 1.661 0.782 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.895 -0.780 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.269 -1.389 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.693 -2.064 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.117 0.644 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.960 -0.588 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.377 1.068 -5.621 1.00 0.00 H new ATOM 471 N ASP A 33 0.166 0.941 -7.798 1.00 0.00 N ATOM 472 CA ASP A 33 0.250 1.974 -8.828 1.00 0.00 C ATOM 473 C ASP A 33 -1.059 2.746 -8.949 1.00 0.00 C ATOM 474 O ASP A 33 -1.054 3.941 -9.235 1.00 0.00 O ATOM 475 CB ASP A 33 0.613 1.356 -10.178 1.00 0.00 C ATOM 476 CG ASP A 33 0.841 2.402 -11.253 1.00 0.00 C ATOM 477 OD1 ASP A 33 -0.143 2.809 -11.904 1.00 0.00 O ATOM 478 OD2 ASP A 33 2.003 2.816 -11.440 1.00 0.00 O ATOM 0 H ASP A 33 0.316 -0.007 -8.142 1.00 0.00 H new ATOM 0 HA ASP A 33 1.033 2.672 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.513 0.751 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.185 0.684 -10.493 1.00 0.00 H new ATOM 483 N ALA A 34 -2.178 2.058 -8.734 1.00 0.00 N ATOM 484 CA ALA A 34 -3.490 2.689 -8.824 1.00 0.00 C ATOM 485 C ALA A 34 -3.741 3.607 -7.631 1.00 0.00 C ATOM 486 O ALA A 34 -4.086 4.777 -7.801 1.00 0.00 O ATOM 487 CB ALA A 34 -4.583 1.636 -8.921 1.00 0.00 C ATOM 0 H ALA A 34 -2.201 1.066 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.509 3.296 -9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.555 2.125 -8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.423 1.026 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.556 1.001 -8.035 1.00 0.00 H new ATOM 493 N LEU A 35 -3.561 3.069 -6.426 1.00 0.00 N ATOM 494 CA LEU A 35 -3.770 3.833 -5.198 1.00 0.00 C ATOM 495 C LEU A 35 -2.815 5.025 -5.112 1.00 0.00 C ATOM 496 O LEU A 35 -3.129 6.034 -4.482 1.00 0.00 O ATOM 497 CB LEU A 35 -3.593 2.928 -3.974 1.00 0.00 C ATOM 498 CG LEU A 35 -4.878 2.280 -3.449 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.466 1.328 -4.482 1.00 0.00 C ATOM 500 CD2 LEU A 35 -4.609 1.546 -2.142 1.00 0.00 C ATOM 0 H LEU A 35 -3.270 2.103 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.789 4.219 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.884 2.139 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.146 3.514 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.605 3.070 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.378 0.880 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.698 1.879 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.744 0.543 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.533 1.092 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.863 0.769 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.239 2.251 -1.398 1.00 0.00 H new ATOM 512 N VAL A 36 -1.648 4.906 -5.745 1.00 0.00 N ATOM 513 CA VAL A 36 -0.665 5.983 -5.730 1.00 0.00 C ATOM 514 C VAL A 36 -0.806 6.883 -6.958 1.00 0.00 C ATOM 515 O VAL A 36 -0.704 8.103 -6.853 1.00 0.00 O ATOM 516 CB VAL A 36 0.776 5.437 -5.669 1.00 0.00 C ATOM 517 CG1 VAL A 36 1.774 6.580 -5.548 1.00 0.00 C ATOM 518 CG2 VAL A 36 0.933 4.456 -4.512 1.00 0.00 C ATOM 0 H VAL A 36 -1.364 4.079 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.860 6.568 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 36 0.980 4.901 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.786 6.177 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.681 7.237 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.571 7.146 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.957 4.083 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.709 4.962 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.246 3.621 -4.647 1.00 0.00 H new ATOM 528 N GLY A 37 -1.040 6.275 -8.121 1.00 0.00 N ATOM 529 CA GLY A 37 -1.186 7.042 -9.349 1.00 0.00 C ATOM 530 C GLY A 37 -2.325 8.047 -9.291 1.00 0.00 C ATOM 531 O GLY A 37 -2.215 9.149 -9.829 1.00 0.00 O ATOM 0 H GLY A 37 -1.131 5.265 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.254 7.569 -9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.355 6.357 -10.180 1.00 0.00 H new ATOM 535 N ALA A 38 -3.419 7.665 -8.636 1.00 0.00 N ATOM 536 CA ALA A 38 -4.586 8.539 -8.510 1.00 0.00 C ATOM 537 C ALA A 38 -4.669 9.173 -7.118 1.00 0.00 C ATOM 538 O ALA A 38 -5.271 10.235 -6.950 1.00 0.00 O ATOM 539 CB ALA A 38 -5.861 7.762 -8.812 1.00 0.00 C ATOM 0 H ALA A 38 -3.523 6.757 -8.184 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.477 9.345 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.722 8.423 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.817 7.371 -9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.958 6.935 -8.109 1.00 0.00 H new ATOM 545 N HIS A 39 -4.072 8.509 -6.125 1.00 0.00 N ATOM 546 CA HIS A 39 -4.077 8.983 -4.747 1.00 0.00 C ATOM 547 C HIS A 39 -5.497 9.035 -4.182 1.00 0.00 C ATOM 548 O HIS A 39 -5.858 10.011 -3.526 1.00 0.00 O ATOM 549 CB HIS A 39 -3.434 10.373 -4.630 1.00 0.00 C ATOM 550 CG HIS A 39 -2.160 10.547 -5.399 1.00 0.00 C ATOM 551 ND1 HIS A 39 -2.126 10.945 -6.718 1.00 0.00 N ATOM 552 CD2 HIS A 39 -0.869 10.409 -5.016 1.00 0.00 C ATOM 553 CE1 HIS A 39 -0.870 11.044 -7.113 1.00 0.00 C ATOM 554 NE2 HIS A 39 -0.086 10.722 -6.100 1.00 0.00 N ATOM 0 H HIS A 39 -3.573 7.629 -6.258 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.489 8.271 -4.167 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.152 11.119 -4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.237 10.578 -3.578 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.520 10.109 -4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.540 11.339 -8.098 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.934 10.708 -6.120 1.00 0.00 H new ATOM 563 N PRO A 40 -6.328 7.987 -4.403 1.00 0.00 N ATOM 564 CA PRO A 40 -7.699 7.959 -3.879 1.00 0.00 C ATOM 565 C PRO A 40 -7.737 8.250 -2.382 1.00 0.00 C ATOM 566 O PRO A 40 -8.699 8.829 -1.880 1.00 0.00 O ATOM 567 CB PRO A 40 -8.168 6.531 -4.158 1.00 0.00 C ATOM 568 CG PRO A 40 -7.345 6.083 -5.311 1.00 0.00 C ATOM 569 CD PRO A 40 -6.006 6.750 -5.148 1.00 0.00 C ATOM 0 HA PRO A 40 -8.330 8.718 -4.342 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.018 5.888 -3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.231 6.503 -4.396 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.242 4.998 -5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.810 6.366 -6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.307 6.120 -4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.546 6.969 -6.112 1.00 0.00 H new ATOM 577 N ALA A 41 -6.673 7.851 -1.683 1.00 0.00 N ATOM 578 CA ALA A 41 -6.568 8.073 -0.246 1.00 0.00 C ATOM 579 C ALA A 41 -6.708 9.556 0.101 1.00 0.00 C ATOM 580 O ALA A 41 -7.222 9.902 1.159 1.00 0.00 O ATOM 581 CB ALA A 41 -5.247 7.522 0.278 1.00 0.00 C ATOM 0 H ALA A 41 -5.872 7.372 -2.093 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.388 7.542 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.181 7.694 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.194 6.452 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.419 8.025 -0.221 1.00 0.00 H new ATOM 587 N LEU A 42 -6.253 10.428 -0.794 1.00 0.00 N ATOM 588 CA LEU A 42 -6.346 11.867 -0.568 1.00 0.00 C ATOM 589 C LEU A 42 -7.135 12.568 -1.683 1.00 0.00 C ATOM 590 O LEU A 42 -7.360 13.779 -1.622 1.00 0.00 O ATOM 591 CB LEU A 42 -4.950 12.485 -0.435 1.00 0.00 C ATOM 592 CG LEU A 42 -3.868 11.878 -1.336 1.00 0.00 C ATOM 593 CD1 LEU A 42 -2.808 12.919 -1.658 1.00 0.00 C ATOM 594 CD2 LEU A 42 -3.236 10.663 -0.672 1.00 0.00 C ATOM 0 H LEU A 42 -5.818 10.165 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.888 12.015 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.022 13.551 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.628 12.392 0.602 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.334 11.554 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.045 12.476 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.270 13.761 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.348 13.268 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.471 10.247 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.782 10.960 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.002 9.911 -0.486 1.00 0.00 H new ATOM 606 N GLU A 43 -7.555 11.809 -2.701 1.00 0.00 N ATOM 607 CA GLU A 43 -8.313 12.372 -3.817 1.00 0.00 C ATOM 608 C GLU A 43 -9.783 12.564 -3.441 1.00 0.00 C ATOM 609 O GLU A 43 -10.615 11.685 -3.675 1.00 0.00 O ATOM 610 CB GLU A 43 -8.196 11.466 -5.045 1.00 0.00 C ATOM 611 CG GLU A 43 -8.149 12.229 -6.361 1.00 0.00 C ATOM 612 CD GLU A 43 -9.528 12.542 -6.916 1.00 0.00 C ATOM 613 OE1 GLU A 43 -10.440 11.701 -6.766 1.00 0.00 O ATOM 614 OE2 GLU A 43 -9.693 13.630 -7.505 1.00 0.00 O ATOM 0 H GLU A 43 -7.382 10.806 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.893 13.349 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.295 10.859 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.043 10.780 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.602 13.161 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.593 11.644 -7.094 1.00 0.00 H new ATOM 621 N SER A 44 -10.093 13.721 -2.858 1.00 0.00 N ATOM 622 CA SER A 44 -11.460 14.034 -2.450 1.00 0.00 C ATOM 623 C SER A 44 -12.161 14.899 -3.493 1.00 0.00 C ATOM 624 O SER A 44 -13.249 14.564 -3.960 1.00 0.00 O ATOM 625 CB SER A 44 -11.462 14.751 -1.099 1.00 0.00 C ATOM 626 OG SER A 44 -12.615 14.421 -0.342 1.00 0.00 O ATOM 0 H SER A 44 -9.415 14.457 -2.658 1.00 0.00 H new ATOM 0 HA SER A 44 -12.004 13.094 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.567 14.479 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.424 15.829 -1.257 1.00 0.00 H new ATOM 0 HG SER A 44 -12.588 14.892 0.517 1.00 0.00 H new ATOM 632 N ARG A 45 -11.528 16.017 -3.847 1.00 0.00 N ATOM 633 CA ARG A 45 -12.084 16.942 -4.830 1.00 0.00 C ATOM 634 C ARG A 45 -11.105 18.083 -5.106 1.00 0.00 C ATOM 635 O ARG A 45 -10.960 18.997 -4.294 1.00 0.00 O ATOM 636 CB ARG A 45 -13.426 17.504 -4.342 1.00 0.00 C ATOM 637 CG ARG A 45 -13.335 18.247 -3.016 1.00 0.00 C ATOM 638 CD ARG A 45 -14.314 17.696 -1.990 1.00 0.00 C ATOM 639 NE ARG A 45 -14.872 18.756 -1.149 1.00 0.00 N ATOM 640 CZ ARG A 45 -15.442 18.549 0.041 1.00 0.00 C ATOM 641 NH1 ARG A 45 -15.544 17.318 0.539 1.00 0.00 N ATOM 642 NH2 ARG A 45 -15.911 19.578 0.737 1.00 0.00 N ATOM 0 H ARG A 45 -10.627 16.303 -3.465 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.252 16.394 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.824 18.179 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.137 16.684 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.320 18.172 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.536 19.306 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.123 17.175 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.808 16.962 -1.362 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.822 19.715 -1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.185 16.523 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.981 17.170 1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.836 20.524 0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.347 19.423 1.646 1.00 0.00 H new ATOM 656 N VAL A 46 -10.432 18.016 -6.255 1.00 0.00 N ATOM 657 CA VAL A 46 -9.461 19.036 -6.642 1.00 0.00 C ATOM 658 C VAL A 46 -8.372 19.191 -5.574 1.00 0.00 C ATOM 659 O VAL A 46 -8.313 20.201 -4.869 1.00 0.00 O ATOM 660 CB VAL A 46 -10.151 20.393 -6.895 1.00 0.00 C ATOM 661 CG1 VAL A 46 -9.137 21.459 -7.297 1.00 0.00 C ATOM 662 CG2 VAL A 46 -11.230 20.249 -7.958 1.00 0.00 C ATOM 0 H VAL A 46 -10.543 17.263 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.994 18.708 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.620 20.713 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.652 22.404 -7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.405 21.584 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.629 21.151 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.707 21.215 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.780 19.901 -8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.976 19.528 -7.624 1.00 0.00 H new ATOM 672 N PHE A 47 -7.516 18.174 -5.460 1.00 0.00 N ATOM 673 CA PHE A 47 -6.429 18.187 -4.482 1.00 0.00 C ATOM 674 C PHE A 47 -5.081 17.952 -5.161 1.00 0.00 C ATOM 675 O PHE A 47 -4.186 18.795 -5.086 1.00 0.00 O ATOM 676 CB PHE A 47 -6.662 17.120 -3.406 1.00 0.00 C ATOM 677 CG PHE A 47 -7.378 17.636 -2.189 1.00 0.00 C ATOM 678 CD1 PHE A 47 -8.690 18.071 -2.272 1.00 0.00 C ATOM 679 CD2 PHE A 47 -6.734 17.686 -0.963 1.00 0.00 C ATOM 680 CE1 PHE A 47 -9.349 18.545 -1.153 1.00 0.00 C ATOM 681 CE2 PHE A 47 -7.388 18.159 0.159 1.00 0.00 C ATOM 682 CZ PHE A 47 -8.697 18.589 0.063 1.00 0.00 C ATOM 0 H PHE A 47 -7.555 17.331 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.414 19.170 -4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.239 16.302 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.700 16.706 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.204 18.040 -3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.710 17.352 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.373 18.880 -1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.876 18.192 1.109 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.210 18.959 0.938 1.00 0.00 H new ATOM 692 N GLY A 48 -4.946 16.804 -5.825 1.00 0.00 N ATOM 693 CA GLY A 48 -3.708 16.477 -6.509 1.00 0.00 C ATOM 694 C GLY A 48 -3.915 16.212 -7.989 1.00 0.00 C ATOM 695 O GLY A 48 -3.667 15.104 -8.465 1.00 0.00 O ATOM 0 H GLY A 48 -5.675 16.095 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.001 17.297 -6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.261 15.598 -6.045 1.00 0.00 H new ATOM 699 N ASP A 49 -4.375 17.233 -8.713 1.00 0.00 N ATOM 700 CA ASP A 49 -4.620 17.112 -10.148 1.00 0.00 C ATOM 701 C ASP A 49 -3.311 16.885 -10.909 1.00 0.00 C ATOM 702 O ASP A 49 -3.068 15.793 -11.421 1.00 0.00 O ATOM 703 CB ASP A 49 -5.330 18.364 -10.674 1.00 0.00 C ATOM 704 CG ASP A 49 -5.669 18.267 -12.150 1.00 0.00 C ATOM 705 OD1 ASP A 49 -6.619 17.534 -12.494 1.00 0.00 O ATOM 706 OD2 ASP A 49 -4.984 18.925 -12.961 1.00 0.00 O ATOM 0 H ASP A 49 -4.585 18.154 -8.327 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.263 16.247 -10.311 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.246 18.524 -10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.695 19.234 -10.507 1.00 0.00 H new ATOM 711 N ASP A 50 -2.471 17.919 -10.973 1.00 0.00 N ATOM 712 CA ASP A 50 -1.185 17.818 -11.664 1.00 0.00 C ATOM 713 C ASP A 50 -0.018 17.840 -10.673 1.00 0.00 C ATOM 714 O ASP A 50 1.029 17.246 -10.931 1.00 0.00 O ATOM 715 CB ASP A 50 -1.033 18.955 -12.682 1.00 0.00 C ATOM 716 CG ASP A 50 -0.095 18.596 -13.821 1.00 0.00 C ATOM 717 OD1 ASP A 50 1.131 18.541 -13.590 1.00 0.00 O ATOM 718 OD2 ASP A 50 -0.588 18.373 -14.946 1.00 0.00 O ATOM 0 H ASP A 50 -2.657 18.832 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.165 16.864 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.012 19.207 -13.088 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.659 19.845 -12.175 1.00 0.00 H new ATOM 723 N GLY A 51 -0.207 18.517 -9.536 1.00 0.00 N ATOM 724 CA GLY A 51 0.837 18.590 -8.525 1.00 0.00 C ATOM 725 C GLY A 51 1.940 19.570 -8.884 1.00 0.00 C ATOM 726 O GLY A 51 2.559 19.454 -9.942 1.00 0.00 O ATOM 0 H GLY A 51 -1.065 19.015 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.394 18.882 -7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.270 17.599 -8.385 1.00 0.00 H new ATOM 730 N GLU A 52 2.189 20.536 -7.997 1.00 0.00 N ATOM 731 CA GLU A 52 3.227 21.540 -8.222 1.00 0.00 C ATOM 732 C GLU A 52 4.190 21.622 -7.030 1.00 0.00 C ATOM 733 O GLU A 52 4.703 22.695 -6.709 1.00 0.00 O ATOM 734 CB GLU A 52 2.589 22.910 -8.482 1.00 0.00 C ATOM 735 CG GLU A 52 1.688 22.943 -9.711 1.00 0.00 C ATOM 736 CD GLU A 52 1.294 24.352 -10.124 1.00 0.00 C ATOM 737 OE1 GLU A 52 2.088 25.291 -9.894 1.00 0.00 O ATOM 738 OE2 GLU A 52 0.189 24.515 -10.681 1.00 0.00 O ATOM 0 H GLU A 52 1.685 20.643 -7.117 1.00 0.00 H new ATOM 0 HA GLU A 52 3.801 21.241 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.007 23.202 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.379 23.652 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.199 22.457 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.787 22.365 -9.509 1.00 0.00 H new ATOM 745 N LEU A 53 4.436 20.480 -6.382 1.00 0.00 N ATOM 746 CA LEU A 53 5.341 20.424 -5.233 1.00 0.00 C ATOM 747 C LEU A 53 6.067 19.080 -5.176 1.00 0.00 C ATOM 748 O LEU A 53 5.650 18.112 -5.815 1.00 0.00 O ATOM 749 CB LEU A 53 4.569 20.654 -3.928 1.00 0.00 C ATOM 750 CG LEU A 53 5.269 21.564 -2.911 1.00 0.00 C ATOM 751 CD1 LEU A 53 4.840 23.012 -3.100 1.00 0.00 C ATOM 752 CD2 LEU A 53 4.979 21.100 -1.491 1.00 0.00 C ATOM 0 H LEU A 53 4.021 19.583 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 53 6.081 21.215 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.597 21.085 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.382 19.688 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 53 6.344 21.502 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.348 23.640 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.102 23.341 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.762 23.093 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.484 21.757 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.904 21.130 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.341 20.080 -1.360 1.00 0.00 H new ATOM 764 N TYR A 54 7.151 19.028 -4.401 1.00 0.00 N ATOM 765 CA TYR A 54 7.929 17.799 -4.257 1.00 0.00 C ATOM 766 C TYR A 54 7.603 17.109 -2.935 1.00 0.00 C ATOM 767 O TYR A 54 7.921 17.626 -1.859 1.00 0.00 O ATOM 768 CB TYR A 54 9.431 18.097 -4.342 1.00 0.00 C ATOM 769 CG TYR A 54 10.068 17.633 -5.636 1.00 0.00 C ATOM 770 CD1 TYR A 54 9.678 18.168 -6.858 1.00 0.00 C ATOM 771 CD2 TYR A 54 11.060 16.658 -5.634 1.00 0.00 C ATOM 772 CE1 TYR A 54 10.256 17.746 -8.040 1.00 0.00 C ATOM 773 CE2 TYR A 54 11.643 16.232 -6.814 1.00 0.00 C ATOM 774 CZ TYR A 54 11.238 16.780 -8.013 1.00 0.00 C ATOM 775 OH TYR A 54 11.817 16.358 -9.188 1.00 0.00 O ATOM 0 H TYR A 54 7.508 19.819 -3.866 1.00 0.00 H new ATOM 0 HA TYR A 54 7.661 17.130 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.587 19.170 -4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.937 17.616 -3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.910 18.927 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.380 16.227 -4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.939 18.171 -8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.412 15.474 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 54 12.491 15.674 -8.993 1.00 0.00 H new ATOM 785 N ASP A 55 6.963 15.944 -3.020 1.00 0.00 N ATOM 786 CA ASP A 55 6.587 15.182 -1.833 1.00 0.00 C ATOM 787 C ASP A 55 7.220 13.791 -1.849 1.00 0.00 C ATOM 788 O ASP A 55 7.422 13.205 -2.913 1.00 0.00 O ATOM 789 CB ASP A 55 5.063 15.061 -1.742 1.00 0.00 C ATOM 790 CG ASP A 55 4.441 16.188 -0.941 1.00 0.00 C ATOM 791 OD1 ASP A 55 4.311 16.039 0.291 1.00 0.00 O ATOM 792 OD2 ASP A 55 4.085 17.221 -1.549 1.00 0.00 O ATOM 0 H ASP A 55 6.694 15.507 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 55 6.957 15.717 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.641 15.057 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.804 14.107 -1.284 1.00 0.00 H new ATOM 797 N HIS A 56 7.531 13.270 -0.661 1.00 0.00 N ATOM 798 CA HIS A 56 8.141 11.948 -0.539 1.00 0.00 C ATOM 799 C HIS A 56 7.233 10.988 0.227 1.00 0.00 C ATOM 800 O HIS A 56 6.469 11.401 1.101 1.00 0.00 O ATOM 801 CB HIS A 56 9.499 12.050 0.160 1.00 0.00 C ATOM 802 CG HIS A 56 10.522 11.098 -0.379 1.00 0.00 C ATOM 803 ND1 HIS A 56 10.843 11.018 -1.718 1.00 0.00 N ATOM 804 CD2 HIS A 56 11.294 10.177 0.247 1.00 0.00 C ATOM 805 CE1 HIS A 56 11.769 10.092 -1.892 1.00 0.00 C ATOM 806 NE2 HIS A 56 12.059 9.569 -0.716 1.00 0.00 N ATOM 0 H HIS A 56 7.370 13.743 0.228 1.00 0.00 H new ATOM 0 HA HIS A 56 8.285 11.554 -1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.874 13.069 0.061 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.365 11.862 1.225 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.305 9.962 1.305 1.00 0.00 H new ATOM 0 HE1 HIS A 56 12.213 9.811 -2.836 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.743 8.831 -0.549 1.00 0.00 H new ATOM 815 N ILE A 57 7.329 9.699 -0.107 1.00 0.00 N ATOM 816 CA ILE A 57 6.524 8.669 0.541 1.00 0.00 C ATOM 817 C ILE A 57 7.371 7.436 0.859 1.00 0.00 C ATOM 818 O ILE A 57 7.704 6.655 -0.033 1.00 0.00 O ATOM 819 CB ILE A 57 5.320 8.247 -0.335 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.754 8.030 -1.789 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.213 9.290 -0.260 1.00 0.00 C ATOM 822 CD1 ILE A 57 4.953 6.967 -2.511 1.00 0.00 C ATOM 0 H ILE A 57 7.960 9.346 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 57 6.146 9.100 1.468 1.00 0.00 H new ATOM 0 HB ILE A 57 4.934 7.303 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.663 8.972 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.808 7.753 -1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.375 8.976 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.880 9.393 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.591 10.248 -0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.317 6.869 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.064 6.014 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.901 7.252 -2.526 1.00 0.00 H new ATOM 834 N ASN A 58 7.721 7.272 2.134 1.00 0.00 N ATOM 835 CA ASN A 58 8.533 6.136 2.561 1.00 0.00 C ATOM 836 C ASN A 58 7.683 4.872 2.669 1.00 0.00 C ATOM 837 O ASN A 58 6.479 4.941 2.923 1.00 0.00 O ATOM 838 CB ASN A 58 9.213 6.432 3.903 1.00 0.00 C ATOM 839 CG ASN A 58 10.705 6.677 3.763 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.219 7.703 4.206 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.410 5.734 3.146 1.00 0.00 N ATOM 0 H ASN A 58 7.456 7.909 2.885 1.00 0.00 H new ATOM 0 HA ASN A 58 9.304 5.971 1.808 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.747 7.306 4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.049 5.595 4.581 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.417 5.847 3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.944 4.898 2.793 1.00 0.00 H new ATOM 848 N VAL A 59 8.316 3.718 2.464 1.00 0.00 N ATOM 849 CA VAL A 59 7.614 2.440 2.526 1.00 0.00 C ATOM 850 C VAL A 59 8.390 1.407 3.346 1.00 0.00 C ATOM 851 O VAL A 59 9.620 1.454 3.420 1.00 0.00 O ATOM 852 CB VAL A 59 7.365 1.884 1.103 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.683 1.660 0.369 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.558 0.598 1.156 1.00 0.00 C ATOM 0 H VAL A 59 9.311 3.643 2.254 1.00 0.00 H new ATOM 0 HA VAL A 59 6.659 2.623 3.018 1.00 0.00 H new ATOM 0 HB VAL A 59 6.788 2.625 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.482 1.269 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.219 2.606 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.291 0.945 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.397 0.228 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.102 -0.149 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.595 0.792 1.629 1.00 0.00 H new ATOM 864 N LEU A 60 7.658 0.469 3.952 1.00 0.00 N ATOM 865 CA LEU A 60 8.258 -0.588 4.759 1.00 0.00 C ATOM 866 C LEU A 60 8.036 -1.954 4.110 1.00 0.00 C ATOM 867 O LEU A 60 6.912 -2.299 3.744 1.00 0.00 O ATOM 868 CB LEU A 60 7.659 -0.576 6.170 1.00 0.00 C ATOM 869 CG LEU A 60 8.593 -1.051 7.290 1.00 0.00 C ATOM 870 CD1 LEU A 60 9.091 -2.465 7.021 1.00 0.00 C ATOM 871 CD2 LEU A 60 9.764 -0.091 7.456 1.00 0.00 C ATOM 0 H LEU A 60 6.641 0.423 3.896 1.00 0.00 H new ATOM 0 HA LEU A 60 9.331 -0.405 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.334 0.439 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.769 -1.205 6.173 1.00 0.00 H new ATOM 0 HG LEU A 60 8.025 -1.064 8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.751 -2.778 7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.241 -3.145 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.637 -2.485 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.415 -0.446 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.328 -0.040 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.388 0.901 7.707 1.00 0.00 H new ATOM 883 N ARG A 61 9.113 -2.728 3.974 1.00 0.00 N ATOM 884 CA ARG A 61 9.036 -4.059 3.374 1.00 0.00 C ATOM 885 C ARG A 61 9.572 -5.118 4.336 1.00 0.00 C ATOM 886 O ARG A 61 10.508 -4.857 5.093 1.00 0.00 O ATOM 887 CB ARG A 61 9.825 -4.099 2.061 1.00 0.00 C ATOM 888 CG ARG A 61 9.239 -3.222 0.964 1.00 0.00 C ATOM 889 CD ARG A 61 10.329 -2.489 0.197 1.00 0.00 C ATOM 890 NE ARG A 61 9.871 -2.037 -1.119 1.00 0.00 N ATOM 891 CZ ARG A 61 10.494 -1.108 -1.848 1.00 0.00 C ATOM 892 NH1 ARG A 61 11.604 -0.527 -1.397 1.00 0.00 N ATOM 893 NH2 ARG A 61 10.008 -0.757 -3.034 1.00 0.00 N ATOM 0 H ARG A 61 10.050 -2.455 4.272 1.00 0.00 H new ATOM 0 HA ARG A 61 7.989 -4.277 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.851 -3.785 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.869 -5.129 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.659 -3.837 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.552 -2.499 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.665 -1.630 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.190 -3.147 0.074 1.00 0.00 H new ATOM 0 HE ARG A 61 9.024 -2.458 -1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.985 -0.791 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.074 0.182 -1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.159 -1.197 -3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.484 -0.047 -3.591 1.00 0.00 H new ATOM 907 N ASN A 62 8.975 -6.314 4.301 1.00 0.00 N ATOM 908 CA ASN A 62 9.398 -7.415 5.172 1.00 0.00 C ATOM 909 C ASN A 62 10.905 -7.661 5.068 1.00 0.00 C ATOM 910 O ASN A 62 11.563 -7.953 6.067 1.00 0.00 O ATOM 911 CB ASN A 62 8.640 -8.701 4.823 1.00 0.00 C ATOM 912 CG ASN A 62 7.391 -8.885 5.666 1.00 0.00 C ATOM 913 OD1 ASN A 62 7.460 -9.361 6.799 1.00 0.00 O ATOM 914 ND2 ASN A 62 6.241 -8.503 5.120 1.00 0.00 N ATOM 0 H ASN A 62 8.199 -6.544 3.680 1.00 0.00 H new ATOM 0 HA ASN A 62 9.165 -7.128 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.364 -8.682 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.299 -9.557 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.371 -8.600 5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.229 -8.113 4.178 1.00 0.00 H new ATOM 921 N GLY A 63 11.439 -7.541 3.852 1.00 0.00 N ATOM 922 CA GLY A 63 12.860 -7.753 3.632 1.00 0.00 C ATOM 923 C GLY A 63 13.154 -9.038 2.870 1.00 0.00 C ATOM 924 O GLY A 63 14.260 -9.572 2.955 1.00 0.00 O ATOM 0 H GLY A 63 10.910 -7.300 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.268 -6.907 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.372 -7.781 4.594 1.00 0.00 H new ATOM 928 N GLU A 64 12.165 -9.532 2.122 1.00 0.00 N ATOM 929 CA GLU A 64 12.329 -10.754 1.343 1.00 0.00 C ATOM 930 C GLU A 64 11.997 -10.506 -0.128 1.00 0.00 C ATOM 931 O GLU A 64 11.389 -9.490 -0.472 1.00 0.00 O ATOM 932 CB GLU A 64 11.436 -11.865 1.907 1.00 0.00 C ATOM 933 CG GLU A 64 12.083 -13.244 1.881 1.00 0.00 C ATOM 934 CD GLU A 64 13.047 -13.470 3.033 1.00 0.00 C ATOM 935 OE1 GLU A 64 13.880 -12.581 3.300 1.00 0.00 O ATOM 936 OE2 GLU A 64 12.968 -14.543 3.668 1.00 0.00 O ATOM 0 H GLU A 64 11.243 -9.102 2.041 1.00 0.00 H new ATOM 0 HA GLU A 64 13.370 -11.068 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.169 -11.618 2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.508 -11.898 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.304 -14.005 1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.616 -13.371 0.939 1.00 0.00 H new ATOM 943 N ALA A 65 12.404 -11.437 -0.993 1.00 0.00 N ATOM 944 CA ALA A 65 12.153 -11.319 -2.428 1.00 0.00 C ATOM 945 C ALA A 65 10.655 -11.356 -2.733 1.00 0.00 C ATOM 946 O ALA A 65 10.025 -12.413 -2.667 1.00 0.00 O ATOM 947 CB ALA A 65 12.879 -12.425 -3.187 1.00 0.00 C ATOM 0 H ALA A 65 12.909 -12.281 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 65 12.539 -10.355 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.682 -12.324 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.951 -12.347 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.523 -13.396 -2.843 1.00 0.00 H new ATOM 953 N ALA A 66 10.093 -10.192 -3.065 1.00 0.00 N ATOM 954 CA ALA A 66 8.669 -10.087 -3.380 1.00 0.00 C ATOM 955 C ALA A 66 8.445 -9.381 -4.715 1.00 0.00 C ATOM 956 O ALA A 66 9.267 -8.568 -5.144 1.00 0.00 O ATOM 957 CB ALA A 66 7.932 -9.353 -2.269 1.00 0.00 C ATOM 0 H ALA A 66 10.603 -9.310 -3.122 1.00 0.00 H new ATOM 0 HA ALA A 66 8.272 -11.099 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.873 -9.283 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.049 -9.899 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.345 -8.351 -2.159 1.00 0.00 H new ATOM 963 N ALA A 67 7.322 -9.691 -5.363 1.00 0.00 N ATOM 964 CA ALA A 67 6.979 -9.083 -6.648 1.00 0.00 C ATOM 965 C ALA A 67 5.740 -8.195 -6.529 1.00 0.00 C ATOM 966 O ALA A 67 5.154 -8.069 -5.452 1.00 0.00 O ATOM 967 CB ALA A 67 6.762 -10.160 -7.702 1.00 0.00 C ATOM 0 H ALA A 67 6.634 -10.360 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 67 7.814 -8.453 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.507 -9.692 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.675 -10.745 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.948 -10.815 -7.391 1.00 0.00 H new ATOM 973 N LEU A 68 5.341 -7.587 -7.648 1.00 0.00 N ATOM 974 CA LEU A 68 4.168 -6.718 -7.681 1.00 0.00 C ATOM 975 C LEU A 68 3.043 -7.348 -8.501 1.00 0.00 C ATOM 976 O LEU A 68 1.865 -7.169 -8.191 1.00 0.00 O ATOM 977 CB LEU A 68 4.538 -5.340 -8.244 1.00 0.00 C ATOM 978 CG LEU A 68 4.847 -5.295 -9.748 1.00 0.00 C ATOM 979 CD1 LEU A 68 3.597 -4.955 -10.550 1.00 0.00 C ATOM 980 CD2 LEU A 68 5.951 -4.290 -10.034 1.00 0.00 C ATOM 0 H LEU A 68 5.817 -7.682 -8.545 1.00 0.00 H new ATOM 0 HA LEU A 68 3.810 -6.592 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.717 -4.652 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.408 -4.968 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 68 5.189 -6.284 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.842 -4.929 -11.612 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.833 -5.712 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.220 -3.980 -10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.157 -4.271 -11.104 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.635 -3.299 -9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.854 -4.578 -9.496 1.00 0.00 H new ATOM 992 N GLY A 69 3.411 -8.100 -9.542 1.00 0.00 N ATOM 993 CA GLY A 69 2.417 -8.754 -10.378 1.00 0.00 C ATOM 994 C GLY A 69 1.977 -10.101 -9.828 1.00 0.00 C ATOM 995 O GLY A 69 1.649 -11.008 -10.595 1.00 0.00 O ATOM 0 H GLY A 69 4.379 -8.266 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.547 -8.105 -10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.825 -8.892 -11.379 1.00 0.00 H new ATOM 999 N GLU A 70 1.964 -10.234 -8.499 1.00 0.00 N ATOM 1000 CA GLU A 70 1.554 -11.480 -7.858 1.00 0.00 C ATOM 1001 C GLU A 70 0.998 -11.226 -6.457 1.00 0.00 C ATOM 1002 O GLU A 70 1.743 -11.217 -5.476 1.00 0.00 O ATOM 1003 CB GLU A 70 2.734 -12.455 -7.785 1.00 0.00 C ATOM 1004 CG GLU A 70 2.476 -13.772 -8.497 1.00 0.00 C ATOM 1005 CD GLU A 70 3.594 -14.777 -8.294 1.00 0.00 C ATOM 1006 OE1 GLU A 70 4.016 -14.974 -7.135 1.00 0.00 O ATOM 1007 OE2 GLU A 70 4.049 -15.367 -9.296 1.00 0.00 O ATOM 0 H GLU A 70 2.232 -9.494 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 70 0.762 -11.922 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.614 -11.982 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.965 -12.656 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.540 -14.198 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.350 -13.585 -9.563 1.00 0.00 H new ATOM 1014 N ALA A 71 -0.319 -11.022 -6.372 1.00 0.00 N ATOM 1015 CA ALA A 71 -0.981 -10.775 -5.089 1.00 0.00 C ATOM 1016 C ALA A 71 -0.955 -12.011 -4.183 1.00 0.00 C ATOM 1017 O ALA A 71 -1.250 -11.914 -2.992 1.00 0.00 O ATOM 1018 CB ALA A 71 -2.416 -10.330 -5.311 1.00 0.00 C ATOM 0 H ALA A 71 -0.947 -11.023 -7.176 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.427 -9.981 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.894 -10.150 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.425 -9.411 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.960 -11.108 -5.847 1.00 0.00 H new ATOM 1024 N THR A 72 -0.598 -13.167 -4.749 1.00 0.00 N ATOM 1025 CA THR A 72 -0.534 -14.412 -3.987 1.00 0.00 C ATOM 1026 C THR A 72 0.850 -14.594 -3.341 1.00 0.00 C ATOM 1027 O THR A 72 1.343 -15.716 -3.203 1.00 0.00 O ATOM 1028 CB THR A 72 -0.873 -15.606 -4.896 1.00 0.00 C ATOM 1029 OG1 THR A 72 -0.864 -16.823 -4.171 1.00 0.00 O ATOM 1030 CG2 THR A 72 0.074 -15.765 -6.067 1.00 0.00 C ATOM 0 H THR A 72 -0.349 -13.264 -5.733 1.00 0.00 H new ATOM 0 HA THR A 72 -1.270 -14.363 -3.185 1.00 0.00 H new ATOM 0 HB THR A 72 -1.869 -15.386 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.048 -16.876 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.226 -16.626 -6.664 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.043 -14.867 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.088 -15.916 -5.697 1.00 0.00 H new ATOM 1038 N ALA A 73 1.466 -13.482 -2.938 1.00 0.00 N ATOM 1039 CA ALA A 73 2.779 -13.512 -2.303 1.00 0.00 C ATOM 1040 C ALA A 73 2.653 -13.579 -0.780 1.00 0.00 C ATOM 1041 O ALA A 73 1.572 -13.370 -0.227 1.00 0.00 O ATOM 1042 CB ALA A 73 3.589 -12.293 -2.722 1.00 0.00 C ATOM 0 H ALA A 73 1.072 -12.547 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 73 3.300 -14.411 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.568 -12.324 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.715 -12.294 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.065 -11.386 -2.419 1.00 0.00 H new ATOM 1048 N ALA A 74 3.767 -13.872 -0.107 1.00 0.00 N ATOM 1049 CA ALA A 74 3.784 -13.967 1.351 1.00 0.00 C ATOM 1050 C ALA A 74 4.547 -12.802 1.985 1.00 0.00 C ATOM 1051 O ALA A 74 5.292 -12.987 2.950 1.00 0.00 O ATOM 1052 CB ALA A 74 4.396 -15.294 1.783 1.00 0.00 C ATOM 0 H ALA A 74 4.669 -14.047 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 74 2.752 -13.915 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.404 -15.354 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.805 -16.116 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.417 -15.363 1.409 1.00 0.00 H new ATOM 1058 N GLY A 75 4.357 -11.599 1.444 1.00 0.00 N ATOM 1059 CA GLY A 75 5.035 -10.431 1.977 1.00 0.00 C ATOM 1060 C GLY A 75 5.078 -9.282 0.990 1.00 0.00 C ATOM 1061 O GLY A 75 6.151 -8.912 0.509 1.00 0.00 O ATOM 0 H GLY A 75 3.747 -11.414 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.530 -10.105 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.053 -10.703 2.258 1.00 0.00 H new ATOM 1065 N ASP A 76 3.910 -8.717 0.686 1.00 0.00 N ATOM 1066 CA ASP A 76 3.825 -7.603 -0.256 1.00 0.00 C ATOM 1067 C ASP A 76 4.452 -6.349 0.340 1.00 0.00 C ATOM 1068 O ASP A 76 5.527 -5.922 -0.082 1.00 0.00 O ATOM 1069 CB ASP A 76 2.367 -7.325 -0.651 1.00 0.00 C ATOM 1070 CG ASP A 76 1.645 -8.553 -1.181 1.00 0.00 C ATOM 1071 OD1 ASP A 76 2.321 -9.491 -1.659 1.00 0.00 O ATOM 1072 OD2 ASP A 76 0.398 -8.577 -1.117 1.00 0.00 O ATOM 0 H ASP A 76 3.014 -9.011 1.076 1.00 0.00 H new ATOM 0 HA ASP A 76 4.378 -7.882 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.829 -6.942 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.346 -6.543 -1.410 1.00 0.00 H new ATOM 1077 N GLU A 77 3.776 -5.770 1.327 1.00 0.00 N ATOM 1078 CA GLU A 77 4.264 -4.571 1.990 1.00 0.00 C ATOM 1079 C GLU A 77 3.997 -4.643 3.496 1.00 0.00 C ATOM 1080 O GLU A 77 3.099 -5.363 3.941 1.00 0.00 O ATOM 1081 CB GLU A 77 3.601 -3.331 1.382 1.00 0.00 C ATOM 1082 CG GLU A 77 4.016 -2.027 2.044 1.00 0.00 C ATOM 1083 CD GLU A 77 3.784 -0.809 1.166 1.00 0.00 C ATOM 1084 OE1 GLU A 77 3.787 -0.952 -0.074 1.00 0.00 O ATOM 1085 OE2 GLU A 77 3.602 0.290 1.722 1.00 0.00 O ATOM 0 H GLU A 77 2.885 -6.115 1.685 1.00 0.00 H new ATOM 0 HA GLU A 77 5.341 -4.500 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.846 -3.283 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.519 -3.436 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.461 -1.907 2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.072 -2.081 2.307 1.00 0.00 H new ATOM 1092 N LEU A 78 4.780 -3.900 4.276 1.00 0.00 N ATOM 1093 CA LEU A 78 4.625 -3.885 5.727 1.00 0.00 C ATOM 1094 C LEU A 78 3.860 -2.639 6.178 1.00 0.00 C ATOM 1095 O LEU A 78 2.982 -2.720 7.040 1.00 0.00 O ATOM 1096 CB LEU A 78 5.997 -3.939 6.411 1.00 0.00 C ATOM 1097 CG LEU A 78 6.089 -4.834 7.653 1.00 0.00 C ATOM 1098 CD1 LEU A 78 5.046 -4.438 8.688 1.00 0.00 C ATOM 1099 CD2 LEU A 78 5.935 -6.299 7.272 1.00 0.00 C ATOM 0 H LEU A 78 5.528 -3.301 3.926 1.00 0.00 H new ATOM 0 HA LEU A 78 4.052 -4.765 6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.732 -4.283 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.281 -2.926 6.695 1.00 0.00 H new ATOM 0 HG LEU A 78 7.075 -4.695 8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.132 -5.088 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.208 -3.403 8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.050 -4.539 8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.003 -6.917 8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.965 -6.452 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.726 -6.579 6.577 1.00 0.00 H new ATOM 1111 N ALA A 79 4.200 -1.486 5.591 1.00 0.00 N ATOM 1112 CA ALA A 79 3.549 -0.224 5.936 1.00 0.00 C ATOM 1113 C ALA A 79 3.928 0.889 4.952 1.00 0.00 C ATOM 1114 O ALA A 79 4.912 0.772 4.222 1.00 0.00 O ATOM 1115 CB ALA A 79 3.924 0.183 7.354 1.00 0.00 C ATOM 0 H ALA A 79 4.922 -1.404 4.875 1.00 0.00 H new ATOM 0 HA ALA A 79 2.471 -0.373 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.435 1.125 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.601 -0.590 8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.005 0.306 7.423 1.00 0.00 H new ATOM 1121 N LEU A 80 3.146 1.973 4.949 1.00 0.00 N ATOM 1122 CA LEU A 80 3.399 3.112 4.068 1.00 0.00 C ATOM 1123 C LEU A 80 3.234 4.421 4.830 1.00 0.00 C ATOM 1124 O LEU A 80 2.132 4.773 5.256 1.00 0.00 O ATOM 1125 CB LEU A 80 2.450 3.092 2.864 1.00 0.00 C ATOM 1126 CG LEU A 80 2.961 3.802 1.601 1.00 0.00 C ATOM 1127 CD1 LEU A 80 2.987 5.311 1.799 1.00 0.00 C ATOM 1128 CD2 LEU A 80 4.340 3.288 1.211 1.00 0.00 C ATOM 0 H LEU A 80 2.330 2.083 5.550 1.00 0.00 H new ATOM 0 HA LEU A 80 4.424 3.036 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.234 2.054 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.507 3.551 3.160 1.00 0.00 H new ATOM 0 HG LEU A 80 2.271 3.578 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.352 5.791 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.980 5.667 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.647 5.558 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.681 3.805 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.041 3.473 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.287 2.217 1.014 1.00 0.00 H new ATOM 1140 N PHE A 81 4.339 5.133 5.001 1.00 0.00 N ATOM 1141 CA PHE A 81 4.323 6.408 5.715 1.00 0.00 C ATOM 1142 C PHE A 81 5.343 7.385 5.130 1.00 0.00 C ATOM 1143 O PHE A 81 6.450 6.991 4.768 1.00 0.00 O ATOM 1144 CB PHE A 81 4.605 6.189 7.209 1.00 0.00 C ATOM 1145 CG PHE A 81 5.741 5.239 7.488 1.00 0.00 C ATOM 1146 CD1 PHE A 81 7.057 5.663 7.389 1.00 0.00 C ATOM 1147 CD2 PHE A 81 5.489 3.925 7.853 1.00 0.00 C ATOM 1148 CE1 PHE A 81 8.100 4.794 7.647 1.00 0.00 C ATOM 1149 CE2 PHE A 81 6.528 3.053 8.113 1.00 0.00 C ATOM 1150 CZ PHE A 81 7.836 3.488 8.009 1.00 0.00 C ATOM 0 H PHE A 81 5.257 4.853 4.657 1.00 0.00 H new ATOM 0 HA PHE A 81 3.330 6.841 5.598 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.828 7.151 7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.702 5.809 7.686 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.270 6.684 7.107 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.469 3.580 7.935 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.121 5.136 7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.319 2.032 8.397 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.650 2.807 8.211 1.00 0.00 H new ATOM 1160 N PRO A 82 4.985 8.680 5.032 1.00 0.00 N ATOM 1161 CA PRO A 82 5.885 9.704 4.495 1.00 0.00 C ATOM 1162 C PRO A 82 6.975 10.085 5.496 1.00 0.00 C ATOM 1163 O PRO A 82 6.771 9.989 6.707 1.00 0.00 O ATOM 1164 CB PRO A 82 4.958 10.887 4.236 1.00 0.00 C ATOM 1165 CG PRO A 82 3.861 10.733 5.234 1.00 0.00 C ATOM 1166 CD PRO A 82 3.686 9.250 5.445 1.00 0.00 C ATOM 0 HA PRO A 82 6.416 9.364 3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.480 11.835 4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.571 10.872 3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.114 11.232 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.938 11.186 4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.460 9.018 6.486 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.867 8.854 4.845 1.00 0.00 H new ATOM 1174 N PRO A 83 8.153 10.518 5.004 1.00 0.00 N ATOM 1175 CA PRO A 83 9.276 10.912 5.866 1.00 0.00 C ATOM 1176 C PRO A 83 8.916 12.084 6.778 1.00 0.00 C ATOM 1177 O PRO A 83 9.080 13.249 6.405 1.00 0.00 O ATOM 1178 CB PRO A 83 10.377 11.313 4.874 1.00 0.00 C ATOM 1179 CG PRO A 83 9.985 10.685 3.582 1.00 0.00 C ATOM 1180 CD PRO A 83 8.485 10.657 3.575 1.00 0.00 C ATOM 0 HA PRO A 83 9.575 10.108 6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.447 12.397 4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.353 10.958 5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.369 11.258 2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.395 9.678 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.066 11.569 3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.099 9.824 2.987 1.00 0.00 H new