USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 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 Set 1.1: A 44 CYS SG : rot 68:sc= -5.39 USER MOD Set 1.2: A 67 SER OG : rot 93:sc= 0.472 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0387 (180deg=-0.368) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.4!) USER MOD Single : A 49 ASN : amide:sc= -1.61! C(o=-1.6!,f=-9.2!) USER MOD Single : A 50 CYS SG : rot -59:sc= -1.9! USER MOD Single : A 51 MET CE :methyl 153:sc= -0.175 (180deg=-1.09) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 177:sc= 0 (180deg=-0.00704) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 71 ASN : amide:sc= -0.0714 X(o=-0.071,f=-0.52) USER MOD Single : A 72 MET CE :methyl -109:sc= 0 (180deg=-0.126) USER MOD Single : A 73 ASN : amide:sc= -1.21! C(o=-1.2!,f=-5.4!) USER MOD Single : A 77 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-2.5) USER MOD Single : A 87 MET CE :methyl 168:sc= -0.0645 (180deg=-0.234) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 20 -11.981 -5.356 -0.038 1.00 0.00 N ATOM 31 CA ARG A 20 -11.321 -6.424 0.704 1.00 0.00 C ATOM 32 C ARG A 20 -11.048 -7.628 -0.204 1.00 0.00 C ATOM 33 O ARG A 20 -11.836 -7.927 -1.103 1.00 0.00 O ATOM 34 CB ARG A 20 -12.193 -6.859 1.880 1.00 0.00 C ATOM 35 CG ARG A 20 -12.575 -5.631 2.700 1.00 0.00 C ATOM 36 CD ARG A 20 -13.506 -6.050 3.837 1.00 0.00 C ATOM 37 NE ARG A 20 -12.768 -6.815 4.838 1.00 0.00 N ATOM 38 CZ ARG A 20 -13.274 -7.024 6.050 1.00 0.00 C ATOM 39 NH1 ARG A 20 -14.447 -6.544 6.360 1.00 0.00 N ATOM 40 NH2 ARG A 20 -12.595 -7.710 6.929 1.00 0.00 N ATOM 0 HA ARG A 20 -10.370 -6.044 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.089 -7.363 1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.655 -7.574 2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.680 -5.157 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.067 -4.894 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.949 -5.167 4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.326 -6.650 3.443 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.851 -7.195 4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.977 -6.008 5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.834 -6.705 7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.678 -8.085 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.981 -7.871 7.859 1.00 0.00 H new ATOM 54 N PRO A 21 -9.952 -8.315 0.011 1.00 0.00 N ATOM 55 CA PRO A 21 -9.572 -9.508 -0.804 1.00 0.00 C ATOM 56 C PRO A 21 -10.530 -10.679 -0.597 1.00 0.00 C ATOM 57 O PRO A 21 -10.639 -11.561 -1.448 1.00 0.00 O ATOM 58 CB PRO A 21 -8.155 -9.848 -0.307 1.00 0.00 C ATOM 59 CG PRO A 21 -8.073 -9.270 1.070 1.00 0.00 C ATOM 60 CD PRO A 21 -8.956 -8.034 1.061 1.00 0.00 C ATOM 0 HA PRO A 21 -9.613 -9.306 -1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.991 -10.925 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.395 -9.419 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.415 -9.988 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.045 -9.013 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.431 -7.876 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.382 -7.135 0.836 1.00 0.00 H new ATOM 68 N GLU A 22 -11.215 -10.684 0.539 1.00 0.00 N ATOM 69 CA GLU A 22 -12.154 -11.755 0.847 1.00 0.00 C ATOM 70 C GLU A 22 -13.395 -11.647 -0.029 1.00 0.00 C ATOM 71 O GLU A 22 -14.172 -12.593 -0.138 1.00 0.00 O ATOM 72 CB GLU A 22 -12.555 -11.690 2.324 1.00 0.00 C ATOM 73 CG GLU A 22 -13.341 -10.403 2.585 1.00 0.00 C ATOM 74 CD GLU A 22 -13.610 -10.250 4.078 1.00 0.00 C ATOM 75 OE1 GLU A 22 -13.330 -11.185 4.808 1.00 0.00 O ATOM 76 OE2 GLU A 22 -14.090 -9.199 4.467 1.00 0.00 O ATOM 0 H GLU A 22 -11.139 -9.964 1.258 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.667 -12.710 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.161 -12.558 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.666 -11.720 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.780 -9.544 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.283 -10.425 2.038 1.00 0.00 H new ATOM 83 N GLU A 23 -13.575 -10.483 -0.649 1.00 0.00 N ATOM 84 CA GLU A 23 -14.727 -10.258 -1.517 1.00 0.00 C ATOM 85 C GLU A 23 -14.411 -10.681 -2.947 1.00 0.00 C ATOM 86 O GLU A 23 -15.259 -11.240 -3.640 1.00 0.00 O ATOM 87 CB GLU A 23 -15.119 -8.781 -1.490 1.00 0.00 C ATOM 88 CG GLU A 23 -15.662 -8.423 -0.105 1.00 0.00 C ATOM 89 CD GLU A 23 -15.984 -6.934 -0.040 1.00 0.00 C ATOM 90 OE1 GLU A 23 -15.830 -6.269 -1.054 1.00 0.00 O ATOM 91 OE2 GLU A 23 -16.377 -6.477 1.021 1.00 0.00 O ATOM 0 H GLU A 23 -12.943 -9.687 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.559 -10.859 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.255 -8.160 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.873 -8.580 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.558 -9.007 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.928 -8.679 0.660 1.00 0.00 H new ATOM 98 N ILE A 24 -13.187 -10.406 -3.384 1.00 0.00 N ATOM 99 CA ILE A 24 -12.772 -10.760 -4.737 1.00 0.00 C ATOM 100 C ILE A 24 -12.787 -12.271 -4.924 1.00 0.00 C ATOM 101 O ILE A 24 -13.252 -12.771 -5.947 1.00 0.00 O ATOM 102 CB ILE A 24 -11.364 -10.225 -5.010 1.00 0.00 C ATOM 103 CG1 ILE A 24 -11.314 -8.729 -4.676 1.00 0.00 C ATOM 104 CG2 ILE A 24 -11.012 -10.428 -6.485 1.00 0.00 C ATOM 105 CD1 ILE A 24 -12.403 -7.974 -5.450 1.00 0.00 C ATOM 0 H ILE A 24 -12.470 -9.943 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.474 -10.311 -5.440 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.647 -10.763 -4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.453 -8.584 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.333 -8.326 -4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.009 -10.046 -6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.047 -11.491 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.729 -9.892 -7.107 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.356 -6.913 -5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.246 -8.105 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.382 -8.367 -5.177 1.00 0.00 H new ATOM 117 N GLU A 25 -12.276 -12.990 -3.935 1.00 0.00 N ATOM 118 CA GLU A 25 -12.235 -14.444 -4.009 1.00 0.00 C ATOM 119 C GLU A 25 -13.642 -15.012 -4.173 1.00 0.00 C ATOM 120 O GLU A 25 -13.866 -15.906 -4.990 1.00 0.00 O ATOM 121 CB GLU A 25 -11.602 -15.009 -2.735 1.00 0.00 C ATOM 122 CG GLU A 25 -10.147 -14.551 -2.635 1.00 0.00 C ATOM 123 CD GLU A 25 -9.322 -15.176 -3.756 1.00 0.00 C ATOM 124 OE1 GLU A 25 -9.393 -16.383 -3.912 1.00 0.00 O ATOM 125 OE2 GLU A 25 -8.632 -14.437 -4.439 1.00 0.00 O ATOM 0 H GLU A 25 -11.887 -12.595 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.637 -14.731 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.160 -14.673 -1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.651 -16.098 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.095 -13.464 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.734 -14.835 -1.667 1.00 0.00 H new ATOM 132 N GLU A 26 -14.587 -14.489 -3.395 1.00 0.00 N ATOM 133 CA GLU A 26 -15.963 -14.957 -3.468 1.00 0.00 C ATOM 134 C GLU A 26 -16.561 -14.631 -4.833 1.00 0.00 C ATOM 135 O GLU A 26 -17.277 -15.443 -5.417 1.00 0.00 O ATOM 136 CB GLU A 26 -16.792 -14.293 -2.365 1.00 0.00 C ATOM 137 CG GLU A 26 -18.185 -14.920 -2.325 1.00 0.00 C ATOM 138 CD GLU A 26 -18.100 -16.343 -1.781 1.00 0.00 C ATOM 139 OE1 GLU A 26 -17.037 -16.715 -1.315 1.00 0.00 O ATOM 140 OE2 GLU A 26 -19.098 -17.042 -1.846 1.00 0.00 O ATOM 0 H GLU A 26 -14.425 -13.748 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.977 -16.038 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.299 -14.416 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.869 -13.221 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.845 -14.321 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.618 -14.929 -3.325 1.00 0.00 H new ATOM 147 N LEU A 27 -16.266 -13.438 -5.334 1.00 0.00 N ATOM 148 CA LEU A 27 -16.779 -13.017 -6.631 1.00 0.00 C ATOM 149 C LEU A 27 -16.203 -13.878 -7.744 1.00 0.00 C ATOM 150 O LEU A 27 -16.896 -14.214 -8.703 1.00 0.00 O ATOM 151 CB LEU A 27 -16.428 -11.549 -6.880 1.00 0.00 C ATOM 152 CG LEU A 27 -17.237 -10.657 -5.927 1.00 0.00 C ATOM 153 CD1 LEU A 27 -16.619 -9.256 -5.894 1.00 0.00 C ATOM 154 CD2 LEU A 27 -18.698 -10.555 -6.402 1.00 0.00 C ATOM 0 H LEU A 27 -15.678 -12.749 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.863 -13.135 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.361 -11.389 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.645 -11.283 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 27 -17.217 -11.097 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.192 -8.621 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.589 -9.321 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.636 -8.827 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.260 -9.920 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -18.726 -10.124 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.144 -11.549 -6.423 1.00 0.00 H new ATOM 166 N ARG A 28 -14.933 -14.224 -7.608 1.00 0.00 N ATOM 167 CA ARG A 28 -14.267 -15.040 -8.611 1.00 0.00 C ATOM 168 C ARG A 28 -14.993 -16.371 -8.784 1.00 0.00 C ATOM 169 O ARG A 28 -15.199 -16.833 -9.905 1.00 0.00 O ATOM 170 CB ARG A 28 -12.818 -15.301 -8.194 1.00 0.00 C ATOM 171 CG ARG A 28 -12.034 -15.897 -9.380 1.00 0.00 C ATOM 172 CD ARG A 28 -11.429 -14.764 -10.217 1.00 0.00 C ATOM 173 NE ARG A 28 -10.751 -15.310 -11.383 1.00 0.00 N ATOM 174 CZ ARG A 28 -9.519 -15.797 -11.294 1.00 0.00 C ATOM 175 NH1 ARG A 28 -8.899 -15.795 -10.146 1.00 0.00 N ATOM 176 NH2 ARG A 28 -8.932 -16.278 -12.354 1.00 0.00 N ATOM 0 H ARG A 28 -14.346 -13.955 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.282 -14.502 -9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.351 -14.372 -7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -12.791 -15.986 -7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.245 -16.554 -9.014 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.695 -16.506 -9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.213 -14.076 -10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.726 -14.191 -9.613 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.230 -15.319 -12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.361 -15.419 -9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.953 -16.169 -10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.419 -16.280 -13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.986 -16.652 -12.287 1.00 0.00 H new ATOM 190 N GLU A 29 -15.372 -16.983 -7.667 1.00 0.00 N ATOM 191 CA GLU A 29 -16.069 -18.264 -7.711 1.00 0.00 C ATOM 192 C GLU A 29 -17.381 -18.133 -8.478 1.00 0.00 C ATOM 193 O GLU A 29 -17.694 -18.962 -9.333 1.00 0.00 O ATOM 194 CB GLU A 29 -16.356 -18.746 -6.290 1.00 0.00 C ATOM 195 CG GLU A 29 -15.042 -19.111 -5.597 1.00 0.00 C ATOM 196 CD GLU A 29 -15.306 -19.492 -4.144 1.00 0.00 C ATOM 197 OE1 GLU A 29 -16.449 -19.408 -3.728 1.00 0.00 O ATOM 198 OE2 GLU A 29 -14.360 -19.859 -3.467 1.00 0.00 O ATOM 0 H GLU A 29 -15.211 -16.617 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.433 -18.987 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.871 -17.967 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.018 -19.611 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.565 -19.941 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.352 -18.268 -5.641 1.00 0.00 H new ATOM 205 N ALA A 30 -18.139 -17.086 -8.171 1.00 0.00 N ATOM 206 CA ALA A 30 -19.413 -16.859 -8.841 1.00 0.00 C ATOM 207 C ALA A 30 -19.204 -16.666 -10.339 1.00 0.00 C ATOM 208 O ALA A 30 -19.907 -17.264 -11.149 1.00 0.00 O ATOM 209 CB ALA A 30 -20.099 -15.624 -8.255 1.00 0.00 C ATOM 0 H ALA A 30 -17.896 -16.387 -7.469 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.045 -17.733 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.050 -15.462 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.276 -15.777 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.460 -14.752 -8.395 1.00 0.00 H new ATOM 215 N PHE A 31 -18.240 -15.831 -10.696 1.00 0.00 N ATOM 216 CA PHE A 31 -17.958 -15.563 -12.101 1.00 0.00 C ATOM 217 C PHE A 31 -17.690 -16.862 -12.846 1.00 0.00 C ATOM 218 O PHE A 31 -18.244 -17.096 -13.917 1.00 0.00 O ATOM 219 CB PHE A 31 -16.736 -14.652 -12.215 1.00 0.00 C ATOM 220 CG PHE A 31 -16.568 -14.206 -13.648 1.00 0.00 C ATOM 221 CD1 PHE A 31 -15.849 -14.999 -14.551 1.00 0.00 C ATOM 222 CD2 PHE A 31 -17.133 -12.999 -14.074 1.00 0.00 C ATOM 223 CE1 PHE A 31 -15.695 -14.583 -15.880 1.00 0.00 C ATOM 224 CE2 PHE A 31 -16.978 -12.582 -15.401 1.00 0.00 C ATOM 225 CZ PHE A 31 -16.258 -13.374 -16.304 1.00 0.00 C ATOM 0 H PHE A 31 -17.643 -15.330 -10.039 1.00 0.00 H new ATOM 0 HA PHE A 31 -18.825 -15.073 -12.544 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -16.855 -13.785 -11.565 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -15.843 -15.181 -11.881 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -15.413 -15.931 -14.223 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -17.689 -12.388 -13.378 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -15.142 -15.195 -16.577 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -17.414 -11.650 -15.729 1.00 0.00 H new ATOM 0 HZ PHE A 31 -16.137 -13.052 -17.328 1.00 0.00 H new ATOM 235 N ARG A 32 -16.850 -17.707 -12.269 1.00 0.00 N ATOM 236 CA ARG A 32 -16.524 -18.988 -12.886 1.00 0.00 C ATOM 237 C ARG A 32 -17.746 -19.897 -12.921 1.00 0.00 C ATOM 238 O ARG A 32 -17.988 -20.592 -13.907 1.00 0.00 O ATOM 239 CB ARG A 32 -15.392 -19.674 -12.116 1.00 0.00 C ATOM 240 CG ARG A 32 -15.004 -20.979 -12.823 1.00 0.00 C ATOM 241 CD ARG A 32 -13.816 -21.617 -12.104 1.00 0.00 C ATOM 242 NE ARG A 32 -12.606 -20.829 -12.341 1.00 0.00 N ATOM 243 CZ ARG A 32 -12.160 -19.945 -11.450 1.00 0.00 C ATOM 244 NH1 ARG A 32 -12.809 -19.753 -10.336 1.00 0.00 N ATOM 245 NH2 ARG A 32 -11.073 -19.263 -11.696 1.00 0.00 N ATOM 0 H ARG A 32 -16.383 -17.533 -11.379 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.199 -18.799 -13.909 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.528 -19.012 -12.053 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.708 -19.883 -11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.850 -21.666 -12.830 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.748 -20.779 -13.863 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.017 -21.677 -11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.671 -22.637 -12.459 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.091 -20.960 -13.211 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.661 -20.280 -10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.465 -19.075 -9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.567 -19.408 -12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.731 -18.586 -11.014 1.00 0.00 H new ATOM 259 N GLU A 33 -18.506 -19.893 -11.834 1.00 0.00 N ATOM 260 CA GLU A 33 -19.694 -20.732 -11.743 1.00 0.00 C ATOM 261 C GLU A 33 -20.562 -20.568 -12.984 1.00 0.00 C ATOM 262 O GLU A 33 -21.141 -21.533 -13.478 1.00 0.00 O ATOM 263 CB GLU A 33 -20.507 -20.356 -10.501 1.00 0.00 C ATOM 264 CG GLU A 33 -21.601 -21.399 -10.264 1.00 0.00 C ATOM 265 CD GLU A 33 -20.976 -22.706 -9.785 1.00 0.00 C ATOM 266 OE1 GLU A 33 -19.780 -22.715 -9.546 1.00 0.00 O ATOM 267 OE2 GLU A 33 -21.703 -23.678 -9.664 1.00 0.00 O ATOM 0 H GLU A 33 -18.323 -19.323 -11.008 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.375 -21.772 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.853 -20.297 -9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.953 -19.370 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.311 -21.032 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.160 -21.569 -11.184 1.00 0.00 H new ATOM 274 N PHE A 34 -20.642 -19.342 -13.484 1.00 0.00 N ATOM 275 CA PHE A 34 -21.437 -19.057 -14.676 1.00 0.00 C ATOM 276 C PHE A 34 -20.582 -19.146 -15.933 1.00 0.00 C ATOM 277 O PHE A 34 -21.041 -19.620 -16.974 1.00 0.00 O ATOM 278 CB PHE A 34 -22.052 -17.658 -14.570 1.00 0.00 C ATOM 279 CG PHE A 34 -23.197 -17.679 -13.586 1.00 0.00 C ATOM 280 CD1 PHE A 34 -24.448 -18.163 -13.982 1.00 0.00 C ATOM 281 CD2 PHE A 34 -23.008 -17.214 -12.280 1.00 0.00 C ATOM 282 CE1 PHE A 34 -25.511 -18.184 -13.072 1.00 0.00 C ATOM 283 CE2 PHE A 34 -24.069 -17.235 -11.371 1.00 0.00 C ATOM 284 CZ PHE A 34 -25.322 -17.719 -11.765 1.00 0.00 C ATOM 0 H PHE A 34 -20.169 -18.530 -13.086 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.231 -19.801 -14.743 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.296 -16.941 -14.248 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.406 -17.331 -15.548 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -24.594 -18.521 -14.991 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -22.042 -16.839 -11.975 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -26.477 -18.559 -13.378 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -23.922 -16.877 -10.363 1.00 0.00 H new ATOM 0 HZ PHE A 34 -26.142 -17.734 -11.062 1.00 0.00 H new ATOM 294 N ASP A 35 -19.339 -18.681 -15.837 1.00 0.00 N ATOM 295 CA ASP A 35 -18.442 -18.705 -16.979 1.00 0.00 C ATOM 296 C ASP A 35 -17.900 -20.108 -17.204 1.00 0.00 C ATOM 297 O ASP A 35 -17.448 -20.768 -16.270 1.00 0.00 O ATOM 298 CB ASP A 35 -17.281 -17.736 -16.748 1.00 0.00 C ATOM 299 CG ASP A 35 -16.551 -17.470 -18.059 1.00 0.00 C ATOM 300 OD1 ASP A 35 -17.154 -17.668 -19.096 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.400 -17.076 -18.007 1.00 0.00 O ATOM 0 H ASP A 35 -18.937 -18.287 -14.986 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.000 -18.399 -17.864 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.656 -16.799 -16.335 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -16.589 -18.153 -16.016 1.00 0.00 H new ATOM 306 N LYS A 36 -17.945 -20.558 -18.454 1.00 0.00 N ATOM 307 CA LYS A 36 -17.449 -21.888 -18.798 1.00 0.00 C ATOM 308 C LYS A 36 -16.765 -21.879 -20.162 1.00 0.00 C ATOM 309 O LYS A 36 -16.273 -22.905 -20.625 1.00 0.00 O ATOM 310 CB LYS A 36 -18.614 -22.886 -18.818 1.00 0.00 C ATOM 311 CG LYS A 36 -18.075 -24.315 -18.602 1.00 0.00 C ATOM 312 CD LYS A 36 -17.997 -24.610 -17.092 1.00 0.00 C ATOM 313 CE LYS A 36 -19.358 -25.119 -16.596 1.00 0.00 C ATOM 314 NZ LYS A 36 -19.439 -26.586 -16.827 1.00 0.00 N ATOM 0 H LYS A 36 -18.317 -20.026 -19.241 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.719 -22.186 -18.045 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -19.334 -22.636 -18.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.142 -22.825 -19.770 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.726 -25.039 -19.092 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.089 -24.416 -19.055 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.225 -25.355 -16.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.715 -23.708 -16.549 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.479 -24.897 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.165 -24.610 -17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.358 -26.940 -16.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.340 -26.783 -17.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.675 -27.062 -16.306 1.00 0.00 H new ATOM 328 N ASP A 37 -16.739 -20.715 -20.802 1.00 0.00 N ATOM 329 CA ASP A 37 -16.117 -20.580 -22.113 1.00 0.00 C ATOM 330 C ASP A 37 -14.680 -20.097 -21.975 1.00 0.00 C ATOM 331 O ASP A 37 -13.780 -20.607 -22.640 1.00 0.00 O ATOM 332 CB ASP A 37 -16.923 -19.599 -22.967 1.00 0.00 C ATOM 333 CG ASP A 37 -17.328 -18.388 -22.135 1.00 0.00 C ATOM 334 OD1 ASP A 37 -16.541 -17.977 -21.302 1.00 0.00 O ATOM 335 OD2 ASP A 37 -18.422 -17.890 -22.342 1.00 0.00 O ATOM 0 H ASP A 37 -17.141 -19.853 -20.434 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.106 -21.555 -22.600 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.330 -19.279 -23.824 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.811 -20.093 -23.361 1.00 0.00 H new ATOM 340 N LYS A 38 -14.477 -19.106 -21.108 1.00 0.00 N ATOM 341 CA LYS A 38 -13.149 -18.541 -20.882 1.00 0.00 C ATOM 342 C LYS A 38 -12.824 -18.469 -19.409 1.00 0.00 C ATOM 343 O LYS A 38 -11.716 -18.105 -19.026 1.00 0.00 O ATOM 344 CB LYS A 38 -13.058 -17.150 -21.511 1.00 0.00 C ATOM 345 CG LYS A 38 -13.023 -17.269 -23.040 1.00 0.00 C ATOM 346 CD LYS A 38 -13.006 -15.869 -23.661 1.00 0.00 C ATOM 347 CE LYS A 38 -12.935 -15.985 -25.186 1.00 0.00 C ATOM 348 NZ LYS A 38 -11.611 -16.543 -25.577 1.00 0.00 N ATOM 0 H LYS A 38 -15.216 -18.678 -20.551 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.418 -19.198 -21.354 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.912 -16.546 -21.204 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.163 -16.639 -21.157 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.140 -17.827 -23.352 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.892 -17.824 -23.392 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.901 -15.320 -23.369 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.151 -15.305 -23.289 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.736 -16.629 -25.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.079 -15.006 -25.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.426 -16.330 -26.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.867 -16.116 -24.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.614 -17.574 -25.437 1.00 0.00 H new ATOM 362 N ASP A 39 -13.796 -18.814 -18.595 1.00 0.00 N ATOM 363 CA ASP A 39 -13.620 -18.793 -17.145 1.00 0.00 C ATOM 364 C ASP A 39 -13.183 -17.405 -16.684 1.00 0.00 C ATOM 365 O ASP A 39 -13.057 -17.147 -15.487 1.00 0.00 O ATOM 366 CB ASP A 39 -12.569 -19.822 -16.728 1.00 0.00 C ATOM 367 CG ASP A 39 -13.106 -21.229 -16.961 1.00 0.00 C ATOM 368 OD1 ASP A 39 -14.279 -21.347 -17.283 1.00 0.00 O ATOM 369 OD2 ASP A 39 -12.338 -22.164 -16.817 1.00 0.00 O ATOM 0 H ASP A 39 -14.720 -19.114 -18.904 1.00 0.00 H new ATOM 0 HA ASP A 39 -14.573 -19.041 -16.678 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.653 -19.673 -17.300 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.314 -19.689 -15.677 1.00 0.00 H new ATOM 374 N GLY A 40 -12.955 -16.511 -17.646 1.00 0.00 N ATOM 375 CA GLY A 40 -12.533 -15.149 -17.337 1.00 0.00 C ATOM 376 C GLY A 40 -13.205 -14.153 -18.271 1.00 0.00 C ATOM 377 O GLY A 40 -12.725 -13.035 -18.449 1.00 0.00 O ATOM 0 H GLY A 40 -13.056 -16.706 -18.642 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.783 -14.911 -16.303 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.450 -15.069 -17.430 1.00 0.00 H new ATOM 381 N TYR A 41 -14.321 -14.569 -18.865 1.00 0.00 N ATOM 382 CA TYR A 41 -15.057 -13.693 -19.781 1.00 0.00 C ATOM 383 C TYR A 41 -16.482 -14.194 -19.977 1.00 0.00 C ATOM 384 O TYR A 41 -16.710 -15.380 -20.199 1.00 0.00 O ATOM 385 CB TYR A 41 -14.330 -13.629 -21.142 1.00 0.00 C ATOM 386 CG TYR A 41 -13.834 -12.228 -21.403 1.00 0.00 C ATOM 387 CD1 TYR A 41 -14.752 -11.202 -21.643 1.00 0.00 C ATOM 388 CD2 TYR A 41 -12.462 -11.956 -21.399 1.00 0.00 C ATOM 389 CE1 TYR A 41 -14.299 -9.901 -21.881 1.00 0.00 C ATOM 390 CE2 TYR A 41 -12.007 -10.657 -21.637 1.00 0.00 C ATOM 391 CZ TYR A 41 -12.926 -9.629 -21.879 1.00 0.00 C ATOM 392 OH TYR A 41 -12.478 -8.347 -22.113 1.00 0.00 O ATOM 0 H TYR A 41 -14.733 -15.493 -18.733 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.099 -12.694 -19.347 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.492 -14.326 -21.148 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.007 -13.937 -21.939 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.811 -11.414 -21.645 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.755 -12.750 -21.212 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.007 -9.107 -22.066 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.948 -10.446 -21.634 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.499 -8.331 -22.075 1.00 0.00 H new ATOM 402 N ILE A 42 -17.435 -13.273 -19.911 1.00 0.00 N ATOM 403 CA ILE A 42 -18.840 -13.622 -20.100 1.00 0.00 C ATOM 404 C ILE A 42 -19.582 -12.475 -20.761 1.00 0.00 C ATOM 405 O ILE A 42 -18.968 -11.522 -21.227 1.00 0.00 O ATOM 406 CB ILE A 42 -19.484 -13.941 -18.753 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.375 -12.726 -17.829 1.00 0.00 C ATOM 408 CG2 ILE A 42 -18.773 -15.135 -18.112 1.00 0.00 C ATOM 409 CD1 ILE A 42 -19.992 -13.060 -16.471 1.00 0.00 C ATOM 0 H ILE A 42 -17.264 -12.284 -19.729 1.00 0.00 H new ATOM 0 HA ILE A 42 -18.898 -14.500 -20.744 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.535 -14.185 -18.907 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.330 -12.443 -17.705 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.887 -11.872 -18.272 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.235 -15.360 -17.151 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.856 -16.002 -18.767 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -17.721 -14.894 -17.961 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -19.914 -12.194 -15.813 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.042 -13.322 -16.603 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.461 -13.902 -16.027 1.00 0.00 H new ATOM 421 N ASN A 43 -20.907 -12.574 -20.804 1.00 0.00 N ATOM 422 CA ASN A 43 -21.731 -11.530 -21.413 1.00 0.00 C ATOM 423 C ASN A 43 -22.891 -11.169 -20.493 1.00 0.00 C ATOM 424 O ASN A 43 -22.950 -11.612 -19.347 1.00 0.00 O ATOM 425 CB ASN A 43 -22.269 -12.006 -22.764 1.00 0.00 C ATOM 426 CG ASN A 43 -21.255 -12.918 -23.441 1.00 0.00 C ATOM 427 OD1 ASN A 43 -20.059 -12.633 -23.433 1.00 0.00 O ATOM 428 ND2 ASN A 43 -21.667 -14.009 -24.032 1.00 0.00 N ATOM 0 H ASN A 43 -21.433 -13.362 -20.427 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.114 -10.645 -21.567 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.210 -12.538 -22.622 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.481 -11.148 -23.402 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.996 -14.627 -24.488 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.660 -14.243 -24.037 1.00 0.00 H new ATOM 435 N CYS A 44 -23.809 -10.352 -21.004 1.00 0.00 N ATOM 436 CA CYS A 44 -24.963 -9.924 -20.220 1.00 0.00 C ATOM 437 C CYS A 44 -26.069 -10.969 -20.274 1.00 0.00 C ATOM 438 O CYS A 44 -27.237 -10.659 -20.047 1.00 0.00 O ATOM 439 CB CYS A 44 -25.481 -8.572 -20.746 1.00 0.00 C ATOM 440 SG CYS A 44 -25.731 -7.445 -19.356 1.00 0.00 S ATOM 0 H CYS A 44 -23.776 -9.976 -21.951 1.00 0.00 H new ATOM 0 HA CYS A 44 -24.654 -9.808 -19.181 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -24.767 -8.146 -21.451 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -26.417 -8.714 -21.287 1.00 0.00 H new ATOM 0 HG CYS A 44 -24.580 -7.134 -18.837 1.00 0.00 H new ATOM 446 N ARG A 45 -25.699 -12.203 -20.580 1.00 0.00 N ATOM 447 CA ARG A 45 -26.676 -13.279 -20.664 1.00 0.00 C ATOM 448 C ARG A 45 -26.954 -13.861 -19.283 1.00 0.00 C ATOM 449 O ARG A 45 -28.063 -13.755 -18.766 1.00 0.00 O ATOM 450 CB ARG A 45 -26.160 -14.380 -21.588 1.00 0.00 C ATOM 451 CG ARG A 45 -27.308 -15.345 -21.940 1.00 0.00 C ATOM 452 CD ARG A 45 -28.044 -14.841 -23.184 1.00 0.00 C ATOM 453 NE ARG A 45 -29.139 -15.740 -23.519 1.00 0.00 N ATOM 454 CZ ARG A 45 -30.321 -15.633 -22.921 1.00 0.00 C ATOM 455 NH1 ARG A 45 -30.516 -14.712 -22.017 1.00 0.00 N ATOM 456 NH2 ARG A 45 -31.286 -16.451 -23.239 1.00 0.00 N ATOM 0 H ARG A 45 -24.738 -12.484 -20.773 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.603 -12.871 -21.066 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -25.749 -13.942 -22.497 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -25.350 -14.925 -21.103 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.913 -16.345 -22.120 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -28.001 -15.422 -21.102 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -28.430 -13.837 -23.006 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -27.351 -14.772 -24.022 1.00 0.00 H new ATOM 0 HE ARG A 45 -28.997 -16.463 -24.224 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -29.761 -14.073 -21.769 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -31.424 -14.631 -21.559 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -31.133 -17.171 -23.945 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -32.194 -16.371 -22.781 1.00 0.00 H new ATOM 470 N ASP A 46 -25.933 -14.471 -18.691 1.00 0.00 N ATOM 471 CA ASP A 46 -26.069 -15.069 -17.366 1.00 0.00 C ATOM 472 C ASP A 46 -25.825 -14.028 -16.287 1.00 0.00 C ATOM 473 O ASP A 46 -25.997 -14.301 -15.100 1.00 0.00 O ATOM 474 CB ASP A 46 -25.072 -16.220 -17.211 1.00 0.00 C ATOM 475 CG ASP A 46 -23.664 -15.741 -17.552 1.00 0.00 C ATOM 476 OD1 ASP A 46 -23.473 -14.539 -17.639 1.00 0.00 O ATOM 477 OD2 ASP A 46 -22.798 -16.584 -17.723 1.00 0.00 O ATOM 0 H ASP A 46 -25.005 -14.565 -19.105 1.00 0.00 H new ATOM 0 HA ASP A 46 -27.083 -15.453 -17.259 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -25.098 -16.600 -16.190 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -25.353 -17.045 -17.865 1.00 0.00 H new ATOM 482 N LEU A 47 -25.422 -12.834 -16.701 1.00 0.00 N ATOM 483 CA LEU A 47 -25.151 -11.769 -15.746 1.00 0.00 C ATOM 484 C LEU A 47 -26.355 -11.562 -14.829 1.00 0.00 C ATOM 485 O LEU A 47 -26.210 -11.517 -13.606 1.00 0.00 O ATOM 486 CB LEU A 47 -24.857 -10.464 -16.497 1.00 0.00 C ATOM 487 CG LEU A 47 -24.607 -9.325 -15.496 1.00 0.00 C ATOM 488 CD1 LEU A 47 -23.393 -9.661 -14.619 1.00 0.00 C ATOM 489 CD2 LEU A 47 -24.348 -8.024 -16.260 1.00 0.00 C ATOM 0 H LEU A 47 -25.277 -12.581 -17.678 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.287 -12.050 -15.144 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -23.985 -10.593 -17.139 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -25.696 -10.211 -17.146 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.484 -9.204 -14.860 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -23.220 -8.850 -13.911 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -23.583 -10.585 -14.073 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.512 -9.786 -15.249 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.171 -7.215 -15.551 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.473 -8.145 -16.899 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -25.216 -7.784 -16.875 1.00 0.00 H new ATOM 501 N GLY A 48 -27.533 -11.433 -15.423 1.00 0.00 N ATOM 502 CA GLY A 48 -28.747 -11.229 -14.643 1.00 0.00 C ATOM 503 C GLY A 48 -29.004 -12.419 -13.728 1.00 0.00 C ATOM 504 O GLY A 48 -29.388 -12.249 -12.570 1.00 0.00 O ATOM 0 H GLY A 48 -27.675 -11.465 -16.433 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -28.655 -10.320 -14.049 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.596 -11.088 -15.312 1.00 0.00 H new ATOM 508 N ASN A 49 -28.787 -13.622 -14.252 1.00 0.00 N ATOM 509 CA ASN A 49 -29.008 -14.835 -13.471 1.00 0.00 C ATOM 510 C ASN A 49 -28.072 -14.876 -12.267 1.00 0.00 C ATOM 511 O ASN A 49 -28.447 -15.342 -11.192 1.00 0.00 O ATOM 512 CB ASN A 49 -28.768 -16.066 -14.346 1.00 0.00 C ATOM 513 CG ASN A 49 -29.865 -16.186 -15.395 1.00 0.00 C ATOM 514 OD1 ASN A 49 -31.026 -15.895 -15.115 1.00 0.00 O ATOM 515 ND2 ASN A 49 -29.566 -16.598 -16.595 1.00 0.00 N ATOM 0 H ASN A 49 -28.461 -13.783 -15.205 1.00 0.00 H new ATOM 0 HA ASN A 49 -30.038 -14.834 -13.115 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -27.796 -15.991 -14.833 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.747 -16.963 -13.727 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -30.296 -16.679 -17.303 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -28.602 -16.839 -16.826 1.00 0.00 H new ATOM 522 N CYS A 50 -26.855 -14.385 -12.457 1.00 0.00 N ATOM 523 CA CYS A 50 -25.870 -14.368 -11.380 1.00 0.00 C ATOM 524 C CYS A 50 -26.191 -13.274 -10.361 1.00 0.00 C ATOM 525 O CYS A 50 -26.054 -13.470 -9.157 1.00 0.00 O ATOM 526 CB CYS A 50 -24.466 -14.146 -11.965 1.00 0.00 C ATOM 527 SG CYS A 50 -24.110 -12.372 -12.095 1.00 0.00 S ATOM 0 H CYS A 50 -26.526 -13.995 -13.340 1.00 0.00 H new ATOM 0 HA CYS A 50 -25.902 -15.329 -10.868 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.721 -14.628 -11.332 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -24.397 -14.611 -12.949 1.00 0.00 H new ATOM 0 HG CYS A 50 -25.000 -11.805 -12.855 1.00 0.00 H new ATOM 533 N MET A 51 -26.601 -12.117 -10.851 1.00 0.00 N ATOM 534 CA MET A 51 -26.915 -10.997 -9.982 1.00 0.00 C ATOM 535 C MET A 51 -28.094 -11.337 -9.089 1.00 0.00 C ATOM 536 O MET A 51 -28.306 -10.708 -8.055 1.00 0.00 O ATOM 537 CB MET A 51 -27.236 -9.756 -10.820 1.00 0.00 C ATOM 538 CG MET A 51 -25.943 -9.167 -11.390 1.00 0.00 C ATOM 539 SD MET A 51 -26.343 -7.791 -12.496 1.00 0.00 S ATOM 540 CE MET A 51 -27.016 -6.671 -11.242 1.00 0.00 C ATOM 0 H MET A 51 -26.724 -11.929 -11.846 1.00 0.00 H new ATOM 0 HA MET A 51 -26.048 -10.789 -9.355 1.00 0.00 H new ATOM 0 HB2 MET A 51 -27.915 -10.019 -11.631 1.00 0.00 H new ATOM 0 HB3 MET A 51 -27.745 -9.013 -10.206 1.00 0.00 H new ATOM 0 HG2 MET A 51 -25.300 -8.822 -10.580 1.00 0.00 H new ATOM 0 HG3 MET A 51 -25.389 -9.934 -11.932 1.00 0.00 H new ATOM 0 HE1 MET A 51 -26.886 -5.639 -11.568 1.00 0.00 H new ATOM 0 HE2 MET A 51 -28.077 -6.876 -11.103 1.00 0.00 H new ATOM 0 HE3 MET A 51 -26.491 -6.823 -10.299 1.00 0.00 H new ATOM 550 N ARG A 52 -28.876 -12.324 -9.506 1.00 0.00 N ATOM 551 CA ARG A 52 -30.046 -12.733 -8.739 1.00 0.00 C ATOM 552 C ARG A 52 -29.706 -13.852 -7.761 1.00 0.00 C ATOM 553 O ARG A 52 -30.306 -13.958 -6.689 1.00 0.00 O ATOM 554 CB ARG A 52 -31.156 -13.199 -9.681 1.00 0.00 C ATOM 555 CG ARG A 52 -31.763 -11.991 -10.397 1.00 0.00 C ATOM 556 CD ARG A 52 -32.930 -12.450 -11.272 1.00 0.00 C ATOM 557 NE ARG A 52 -32.438 -13.203 -12.419 1.00 0.00 N ATOM 558 CZ ARG A 52 -33.263 -13.927 -13.167 1.00 0.00 C ATOM 559 NH1 ARG A 52 -34.535 -13.978 -12.879 1.00 0.00 N ATOM 560 NH2 ARG A 52 -32.801 -14.591 -14.190 1.00 0.00 N ATOM 0 H ARG A 52 -28.724 -12.853 -10.365 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.387 -11.869 -8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -30.756 -13.903 -10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -31.927 -13.726 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -32.108 -11.258 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -31.007 -11.500 -11.009 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -33.610 -13.069 -10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -33.499 -11.585 -11.613 1.00 0.00 H new ATOM 0 HE ARG A 52 -31.445 -13.174 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -34.898 -13.461 -12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -35.166 -14.535 -13.455 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -31.807 -14.554 -14.415 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -33.434 -15.147 -14.765 1.00 0.00 H new ATOM 574 N THR A 53 -28.755 -14.695 -8.139 1.00 0.00 N ATOM 575 CA THR A 53 -28.357 -15.810 -7.292 1.00 0.00 C ATOM 576 C THR A 53 -27.699 -15.311 -6.008 1.00 0.00 C ATOM 577 O THR A 53 -27.772 -15.960 -4.962 1.00 0.00 O ATOM 578 CB THR A 53 -27.398 -16.734 -8.065 1.00 0.00 C ATOM 579 OG1 THR A 53 -27.613 -18.077 -7.664 1.00 0.00 O ATOM 580 CG2 THR A 53 -25.936 -16.350 -7.791 1.00 0.00 C ATOM 0 H THR A 53 -28.248 -14.629 -9.021 1.00 0.00 H new ATOM 0 HA THR A 53 -29.248 -16.373 -7.015 1.00 0.00 H new ATOM 0 HB THR A 53 -27.594 -16.626 -9.132 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.005 -18.667 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 53 -25.275 -17.015 -8.347 1.00 0.00 H new ATOM 0 HG22 THR A 53 -25.765 -15.321 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 53 -25.730 -16.441 -6.725 1.00 0.00 H new ATOM 588 N MET A 54 -27.024 -14.170 -6.105 1.00 0.00 N ATOM 589 CA MET A 54 -26.327 -13.609 -4.958 1.00 0.00 C ATOM 590 C MET A 54 -25.951 -12.157 -5.215 1.00 0.00 C ATOM 591 O MET A 54 -24.787 -11.777 -5.104 1.00 0.00 O ATOM 592 CB MET A 54 -25.054 -14.420 -4.679 1.00 0.00 C ATOM 593 CG MET A 54 -24.065 -14.297 -5.870 1.00 0.00 C ATOM 594 SD MET A 54 -22.575 -13.409 -5.347 1.00 0.00 S ATOM 595 CE MET A 54 -21.826 -14.763 -4.415 1.00 0.00 C ATOM 0 H MET A 54 -26.946 -13.621 -6.961 1.00 0.00 H new ATOM 0 HA MET A 54 -26.991 -13.654 -4.095 1.00 0.00 H new ATOM 0 HB2 MET A 54 -24.580 -14.062 -3.765 1.00 0.00 H new ATOM 0 HB3 MET A 54 -25.310 -15.467 -4.517 1.00 0.00 H new ATOM 0 HG2 MET A 54 -23.798 -15.288 -6.236 1.00 0.00 H new ATOM 0 HG3 MET A 54 -24.542 -13.770 -6.696 1.00 0.00 H new ATOM 0 HE1 MET A 54 -20.852 -14.450 -4.039 1.00 0.00 H new ATOM 0 HE2 MET A 54 -22.471 -15.028 -3.577 1.00 0.00 H new ATOM 0 HE3 MET A 54 -21.703 -15.628 -5.066 1.00 0.00 H new ATOM 605 N GLY A 55 -26.944 -11.350 -5.564 1.00 0.00 N ATOM 606 CA GLY A 55 -26.710 -9.933 -5.837 1.00 0.00 C ATOM 607 C GLY A 55 -27.917 -9.105 -5.426 1.00 0.00 C ATOM 608 O GLY A 55 -28.138 -8.864 -4.242 1.00 0.00 O ATOM 0 H GLY A 55 -27.915 -11.647 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.827 -9.593 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.508 -9.790 -6.898 1.00 0.00 H new ATOM 612 N TYR A 56 -28.698 -8.672 -6.410 1.00 0.00 N ATOM 613 CA TYR A 56 -29.885 -7.866 -6.135 1.00 0.00 C ATOM 614 C TYR A 56 -31.051 -8.331 -6.997 1.00 0.00 C ATOM 615 O TYR A 56 -30.853 -8.939 -8.047 1.00 0.00 O ATOM 616 CB TYR A 56 -29.583 -6.384 -6.417 1.00 0.00 C ATOM 617 CG TYR A 56 -30.459 -5.511 -5.544 1.00 0.00 C ATOM 618 CD1 TYR A 56 -30.276 -5.513 -4.156 1.00 0.00 C ATOM 619 CD2 TYR A 56 -31.452 -4.707 -6.116 1.00 0.00 C ATOM 620 CE1 TYR A 56 -31.083 -4.711 -3.342 1.00 0.00 C ATOM 621 CE2 TYR A 56 -32.258 -3.907 -5.304 1.00 0.00 C ATOM 622 CZ TYR A 56 -32.076 -3.909 -3.916 1.00 0.00 C ATOM 623 OH TYR A 56 -32.871 -3.116 -3.115 1.00 0.00 O ATOM 0 H TYR A 56 -28.534 -8.863 -7.398 1.00 0.00 H new ATOM 0 HA TYR A 56 -30.157 -7.985 -5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -28.532 -6.173 -6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -29.762 -6.160 -7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -29.511 -6.134 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -31.595 -4.706 -7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -30.940 -4.711 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -33.023 -3.286 -5.747 1.00 0.00 H new ATOM 0 HH TYR A 56 -33.508 -2.623 -3.673 1.00 0.00 H new ATOM 633 N MET A 57 -32.269 -8.038 -6.546 1.00 0.00 N ATOM 634 CA MET A 57 -33.469 -8.431 -7.282 1.00 0.00 C ATOM 635 C MET A 57 -34.425 -7.250 -7.425 1.00 0.00 C ATOM 636 O MET A 57 -35.432 -7.164 -6.724 1.00 0.00 O ATOM 637 CB MET A 57 -34.171 -9.574 -6.553 1.00 0.00 C ATOM 638 CG MET A 57 -35.250 -10.171 -7.460 1.00 0.00 C ATOM 639 SD MET A 57 -35.848 -11.720 -6.742 1.00 0.00 S ATOM 640 CE MET A 57 -37.418 -11.790 -7.638 1.00 0.00 C ATOM 0 H MET A 57 -32.451 -7.532 -5.679 1.00 0.00 H new ATOM 0 HA MET A 57 -33.172 -8.761 -8.277 1.00 0.00 H new ATOM 0 HB2 MET A 57 -33.448 -10.341 -6.276 1.00 0.00 H new ATOM 0 HB3 MET A 57 -34.619 -9.209 -5.629 1.00 0.00 H new ATOM 0 HG2 MET A 57 -36.075 -9.468 -7.574 1.00 0.00 H new ATOM 0 HG3 MET A 57 -34.845 -10.351 -8.456 1.00 0.00 H new ATOM 0 HE1 MET A 57 -37.965 -12.686 -7.344 1.00 0.00 H new ATOM 0 HE2 MET A 57 -38.012 -10.908 -7.401 1.00 0.00 H new ATOM 0 HE3 MET A 57 -37.224 -11.819 -8.710 1.00 0.00 H new ATOM 650 N PRO A 58 -34.125 -6.343 -8.321 1.00 0.00 N ATOM 651 CA PRO A 58 -34.968 -5.141 -8.568 1.00 0.00 C ATOM 652 C PRO A 58 -36.150 -5.453 -9.484 1.00 0.00 C ATOM 653 O PRO A 58 -36.462 -6.616 -9.743 1.00 0.00 O ATOM 654 CB PRO A 58 -33.999 -4.153 -9.225 1.00 0.00 C ATOM 655 CG PRO A 58 -32.975 -5.006 -9.924 1.00 0.00 C ATOM 656 CD PRO A 58 -32.943 -6.363 -9.200 1.00 0.00 C ATOM 0 HA PRO A 58 -35.418 -4.753 -7.654 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -34.518 -3.504 -9.930 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -33.532 -3.507 -8.482 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -33.235 -5.136 -10.974 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -31.994 -4.531 -9.895 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -32.989 -7.191 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -32.024 -6.485 -8.626 1.00 0.00 H new ATOM 664 N THR A 59 -36.801 -4.404 -9.970 1.00 0.00 N ATOM 665 CA THR A 59 -37.946 -4.578 -10.854 1.00 0.00 C ATOM 666 C THR A 59 -37.612 -5.557 -11.975 1.00 0.00 C ATOM 667 O THR A 59 -36.458 -5.948 -12.148 1.00 0.00 O ATOM 668 CB THR A 59 -38.363 -3.219 -11.449 1.00 0.00 C ATOM 669 OG1 THR A 59 -37.874 -2.173 -10.621 1.00 0.00 O ATOM 670 CG2 THR A 59 -39.887 -3.129 -11.539 1.00 0.00 C ATOM 0 H THR A 59 -36.559 -3.433 -9.770 1.00 0.00 H new ATOM 0 HA THR A 59 -38.775 -4.984 -10.274 1.00 0.00 H new ATOM 0 HB THR A 59 -37.943 -3.123 -12.450 1.00 0.00 H new ATOM 0 HG1 THR A 59 -38.136 -1.307 -10.998 1.00 0.00 H new ATOM 0 HG21 THR A 59 -40.170 -2.165 -11.961 1.00 0.00 H new ATOM 0 HG22 THR A 59 -40.262 -3.929 -12.178 1.00 0.00 H new ATOM 0 HG23 THR A 59 -40.317 -3.229 -10.542 1.00 0.00 H new ATOM 678 N GLU A 60 -38.629 -5.945 -12.732 1.00 0.00 N ATOM 679 CA GLU A 60 -38.440 -6.877 -13.835 1.00 0.00 C ATOM 680 C GLU A 60 -37.787 -6.182 -15.024 1.00 0.00 C ATOM 681 O GLU A 60 -37.059 -6.804 -15.797 1.00 0.00 O ATOM 682 CB GLU A 60 -39.782 -7.467 -14.263 1.00 0.00 C ATOM 683 CG GLU A 60 -40.347 -8.322 -13.128 1.00 0.00 C ATOM 684 CD GLU A 60 -41.735 -8.833 -13.501 1.00 0.00 C ATOM 685 OE1 GLU A 60 -42.691 -8.112 -13.263 1.00 0.00 O ATOM 686 OE2 GLU A 60 -41.821 -9.934 -14.018 1.00 0.00 O ATOM 0 H GLU A 60 -39.591 -5.630 -12.603 1.00 0.00 H new ATOM 0 HA GLU A 60 -37.785 -7.678 -13.493 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -40.480 -6.668 -14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -39.656 -8.072 -15.161 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -39.682 -9.163 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -40.401 -7.735 -12.211 1.00 0.00 H new ATOM 693 N MET A 61 -38.054 -4.887 -15.170 1.00 0.00 N ATOM 694 CA MET A 61 -37.491 -4.115 -16.273 1.00 0.00 C ATOM 695 C MET A 61 -36.116 -3.583 -15.908 1.00 0.00 C ATOM 696 O MET A 61 -35.315 -3.271 -16.783 1.00 0.00 O ATOM 697 CB MET A 61 -38.430 -2.952 -16.619 1.00 0.00 C ATOM 698 CG MET A 61 -39.759 -3.496 -17.154 1.00 0.00 C ATOM 699 SD MET A 61 -39.486 -4.334 -18.734 1.00 0.00 S ATOM 700 CE MET A 61 -39.774 -2.900 -19.801 1.00 0.00 C ATOM 0 H MET A 61 -38.654 -4.353 -14.542 1.00 0.00 H new ATOM 0 HA MET A 61 -37.387 -4.767 -17.140 1.00 0.00 H new ATOM 0 HB2 MET A 61 -38.607 -2.341 -15.734 1.00 0.00 H new ATOM 0 HB3 MET A 61 -37.965 -2.307 -17.364 1.00 0.00 H new ATOM 0 HG2 MET A 61 -40.195 -4.189 -16.435 1.00 0.00 H new ATOM 0 HG3 MET A 61 -40.471 -2.681 -17.282 1.00 0.00 H new ATOM 0 HE1 MET A 61 -39.655 -3.193 -20.844 1.00 0.00 H new ATOM 0 HE2 MET A 61 -40.785 -2.526 -19.642 1.00 0.00 H new ATOM 0 HE3 MET A 61 -39.055 -2.117 -19.560 1.00 0.00 H new ATOM 710 N GLU A 62 -35.844 -3.486 -14.616 1.00 0.00 N ATOM 711 CA GLU A 62 -34.547 -3.001 -14.159 1.00 0.00 C ATOM 712 C GLU A 62 -33.451 -3.976 -14.564 1.00 0.00 C ATOM 713 O GLU A 62 -32.453 -3.588 -15.168 1.00 0.00 O ATOM 714 CB GLU A 62 -34.561 -2.840 -12.636 1.00 0.00 C ATOM 715 CG GLU A 62 -35.331 -1.572 -12.260 1.00 0.00 C ATOM 716 CD GLU A 62 -34.524 -0.341 -12.663 1.00 0.00 C ATOM 717 OE1 GLU A 62 -33.321 -0.470 -12.814 1.00 0.00 O ATOM 718 OE2 GLU A 62 -35.124 0.710 -12.814 1.00 0.00 O ATOM 0 H GLU A 62 -36.495 -3.733 -13.871 1.00 0.00 H new ATOM 0 HA GLU A 62 -34.348 -2.034 -14.621 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -35.026 -3.710 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -33.541 -2.784 -12.257 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -36.300 -1.562 -12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -35.524 -1.557 -11.187 1.00 0.00 H new ATOM 725 N LEU A 63 -33.648 -5.241 -14.237 1.00 0.00 N ATOM 726 CA LEU A 63 -32.679 -6.264 -14.584 1.00 0.00 C ATOM 727 C LEU A 63 -32.551 -6.383 -16.099 1.00 0.00 C ATOM 728 O LEU A 63 -31.465 -6.637 -16.620 1.00 0.00 O ATOM 729 CB LEU A 63 -33.103 -7.619 -14.002 1.00 0.00 C ATOM 730 CG LEU A 63 -31.887 -8.567 -13.927 1.00 0.00 C ATOM 731 CD1 LEU A 63 -31.153 -8.366 -12.595 1.00 0.00 C ATOM 732 CD2 LEU A 63 -32.357 -10.022 -14.037 1.00 0.00 C ATOM 0 H LEU A 63 -34.467 -5.583 -13.734 1.00 0.00 H new ATOM 0 HA LEU A 63 -31.715 -5.977 -14.164 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.528 -7.480 -13.008 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -33.882 -8.062 -14.622 1.00 0.00 H new ATOM 0 HG LEU A 63 -31.209 -8.342 -14.750 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -30.296 -9.037 -12.547 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.810 -7.334 -12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.831 -8.584 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -31.496 -10.688 -13.984 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -33.040 -10.247 -13.218 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -32.870 -10.168 -14.988 1.00 0.00 H new ATOM 744 N ILE A 64 -33.675 -6.214 -16.800 1.00 0.00 N ATOM 745 CA ILE A 64 -33.675 -6.325 -18.251 1.00 0.00 C ATOM 746 C ILE A 64 -33.135 -5.050 -18.881 1.00 0.00 C ATOM 747 O ILE A 64 -32.177 -5.082 -19.649 1.00 0.00 O ATOM 748 CB ILE A 64 -35.098 -6.588 -18.744 1.00 0.00 C ATOM 749 CG1 ILE A 64 -35.575 -7.951 -18.228 1.00 0.00 C ATOM 750 CG2 ILE A 64 -35.118 -6.590 -20.272 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.079 -8.093 -18.476 1.00 0.00 C ATOM 0 H ILE A 64 -34.584 -6.002 -16.388 1.00 0.00 H new ATOM 0 HA ILE A 64 -33.031 -7.155 -18.542 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.759 -5.805 -18.372 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -35.035 -8.752 -18.733 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.361 -8.044 -17.163 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -36.133 -6.778 -20.622 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -34.780 -5.622 -20.642 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -34.456 -7.372 -20.644 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -37.418 -9.062 -18.109 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.611 -7.300 -17.951 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -37.280 -8.019 -19.545 1.00 0.00 H new ATOM 763 N GLU A 65 -33.756 -3.930 -18.544 1.00 0.00 N ATOM 764 CA GLU A 65 -33.336 -2.645 -19.083 1.00 0.00 C ATOM 765 C GLU A 65 -31.861 -2.425 -18.794 1.00 0.00 C ATOM 766 O GLU A 65 -31.116 -1.935 -19.645 1.00 0.00 O ATOM 767 CB GLU A 65 -34.156 -1.514 -18.454 1.00 0.00 C ATOM 768 CG GLU A 65 -33.792 -0.185 -19.120 1.00 0.00 C ATOM 769 CD GLU A 65 -34.648 0.939 -18.545 1.00 0.00 C ATOM 770 OE1 GLU A 65 -35.261 0.721 -17.511 1.00 0.00 O ATOM 771 OE2 GLU A 65 -34.679 2.001 -19.143 1.00 0.00 O ATOM 0 H GLU A 65 -34.548 -3.884 -17.903 1.00 0.00 H new ATOM 0 HA GLU A 65 -33.499 -2.645 -20.161 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -35.221 -1.713 -18.574 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -33.960 -1.461 -17.383 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -32.736 0.033 -18.961 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -33.945 -0.255 -20.197 1.00 0.00 H new ATOM 778 N LEU A 66 -31.443 -2.796 -17.588 1.00 0.00 N ATOM 779 CA LEU A 66 -30.045 -2.630 -17.206 1.00 0.00 C ATOM 780 C LEU A 66 -29.147 -3.500 -18.080 1.00 0.00 C ATOM 781 O LEU A 66 -28.395 -2.999 -18.909 1.00 0.00 O ATOM 782 CB LEU A 66 -29.851 -3.017 -15.735 1.00 0.00 C ATOM 783 CG LEU A 66 -28.369 -2.893 -15.345 1.00 0.00 C ATOM 784 CD1 LEU A 66 -27.878 -1.459 -15.603 1.00 0.00 C ATOM 785 CD2 LEU A 66 -28.207 -3.234 -13.862 1.00 0.00 C ATOM 0 H LEU A 66 -32.040 -3.206 -16.870 1.00 0.00 H new ATOM 0 HA LEU A 66 -29.773 -1.584 -17.345 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -30.457 -2.372 -15.099 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -30.193 -4.039 -15.572 1.00 0.00 H new ATOM 0 HG LEU A 66 -27.778 -3.584 -15.946 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.827 -1.379 -15.324 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -27.992 -1.220 -16.660 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -28.466 -0.760 -15.007 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -27.157 -3.147 -13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -28.801 -2.544 -13.263 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -28.547 -4.254 -13.684 1.00 0.00 H new ATOM 797 N SER A 67 -29.227 -4.809 -17.885 1.00 0.00 N ATOM 798 CA SER A 67 -28.406 -5.731 -18.657 1.00 0.00 C ATOM 799 C SER A 67 -28.441 -5.350 -20.131 1.00 0.00 C ATOM 800 O SER A 67 -27.404 -5.268 -20.786 1.00 0.00 O ATOM 801 CB SER A 67 -28.936 -7.157 -18.482 1.00 0.00 C ATOM 802 OG SER A 67 -28.761 -7.563 -17.129 1.00 0.00 O ATOM 0 H SER A 67 -29.845 -5.253 -17.206 1.00 0.00 H new ATOM 0 HA SER A 67 -27.377 -5.678 -18.300 1.00 0.00 H new ATOM 0 HB2 SER A 67 -29.991 -7.201 -18.753 1.00 0.00 H new ATOM 0 HB3 SER A 67 -28.407 -7.838 -19.149 1.00 0.00 H new ATOM 0 HG SER A 67 -29.571 -7.356 -16.618 1.00 0.00 H new ATOM 808 N GLN A 68 -29.636 -5.110 -20.645 1.00 0.00 N ATOM 809 CA GLN A 68 -29.788 -4.731 -22.044 1.00 0.00 C ATOM 810 C GLN A 68 -29.024 -3.449 -22.332 1.00 0.00 C ATOM 811 O GLN A 68 -28.658 -3.170 -23.473 1.00 0.00 O ATOM 812 CB GLN A 68 -31.278 -4.530 -22.370 1.00 0.00 C ATOM 813 CG GLN A 68 -31.444 -4.254 -23.864 1.00 0.00 C ATOM 814 CD GLN A 68 -32.926 -4.164 -24.219 1.00 0.00 C ATOM 815 OE1 GLN A 68 -33.781 -4.198 -23.335 1.00 0.00 O ATOM 816 NE2 GLN A 68 -33.282 -4.057 -25.470 1.00 0.00 N ATOM 0 H GLN A 68 -30.509 -5.170 -20.122 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.384 -5.528 -22.668 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -31.845 -5.417 -22.089 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -31.679 -3.699 -21.790 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -30.942 -3.323 -24.128 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -30.971 -5.047 -24.443 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -32.572 -4.029 -26.202 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -34.270 -4.001 -25.716 1.00 0.00 H new ATOM 825 N GLN A 69 -28.757 -2.684 -21.283 1.00 0.00 N ATOM 826 CA GLN A 69 -27.998 -1.446 -21.429 1.00 0.00 C ATOM 827 C GLN A 69 -26.539 -1.782 -21.731 1.00 0.00 C ATOM 828 O GLN A 69 -25.910 -1.163 -22.588 1.00 0.00 O ATOM 829 CB GLN A 69 -28.094 -0.607 -20.150 1.00 0.00 C ATOM 830 CG GLN A 69 -27.706 0.838 -20.460 1.00 0.00 C ATOM 831 CD GLN A 69 -27.806 1.684 -19.195 1.00 0.00 C ATOM 832 OE1 GLN A 69 -27.411 1.237 -18.119 1.00 0.00 O ATOM 833 NE2 GLN A 69 -28.312 2.883 -19.264 1.00 0.00 N ATOM 0 H GLN A 69 -29.051 -2.894 -20.329 1.00 0.00 H new ATOM 0 HA GLN A 69 -28.414 -0.864 -22.252 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -29.108 -0.645 -19.752 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -27.435 -1.016 -19.384 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -26.690 0.875 -20.853 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -28.361 1.242 -21.231 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -28.638 3.248 -20.159 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -28.382 3.456 -18.423 1.00 0.00 H new ATOM 842 N ILE A 70 -26.016 -2.779 -21.024 1.00 0.00 N ATOM 843 CA ILE A 70 -24.646 -3.221 -21.234 1.00 0.00 C ATOM 844 C ILE A 70 -24.501 -3.819 -22.631 1.00 0.00 C ATOM 845 O ILE A 70 -23.495 -3.592 -23.310 1.00 0.00 O ATOM 846 CB ILE A 70 -24.246 -4.260 -20.181 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.114 -3.580 -18.819 1.00 0.00 C ATOM 848 CG2 ILE A 70 -22.906 -4.901 -20.562 1.00 0.00 C ATOM 849 CD1 ILE A 70 -23.966 -4.648 -17.728 1.00 0.00 C ATOM 0 H ILE A 70 -26.521 -3.294 -20.303 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.986 -2.358 -21.140 1.00 0.00 H new ATOM 0 HB ILE A 70 -25.013 -5.033 -20.132 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -23.249 -2.917 -18.814 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -24.990 -2.962 -18.622 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -22.628 -5.638 -19.809 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -22.999 -5.390 -21.532 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.137 -4.131 -20.617 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -23.872 -4.164 -16.756 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -24.845 -5.293 -17.729 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -23.076 -5.247 -17.923 1.00 0.00 H new ATOM 861 N ASN A 71 -25.499 -4.601 -23.040 1.00 0.00 N ATOM 862 CA ASN A 71 -25.457 -5.241 -24.344 1.00 0.00 C ATOM 863 C ASN A 71 -25.116 -4.233 -25.429 1.00 0.00 C ATOM 864 O ASN A 71 -24.299 -4.509 -26.299 1.00 0.00 O ATOM 865 CB ASN A 71 -26.806 -5.884 -24.651 1.00 0.00 C ATOM 866 CG ASN A 71 -26.789 -6.502 -26.045 1.00 0.00 C ATOM 867 OD1 ASN A 71 -27.038 -5.812 -27.034 1.00 0.00 O ATOM 868 ND2 ASN A 71 -26.511 -7.770 -26.183 1.00 0.00 N ATOM 0 H ASN A 71 -26.335 -4.802 -22.491 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.683 -6.008 -24.324 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -27.030 -6.650 -23.908 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.597 -5.137 -24.586 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -26.500 -8.191 -27.112 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -26.305 -8.339 -25.362 1.00 0.00 H new ATOM 875 N MET A 72 -25.741 -3.071 -25.372 1.00 0.00 N ATOM 876 CA MET A 72 -25.492 -2.028 -26.360 1.00 0.00 C ATOM 877 C MET A 72 -24.109 -1.416 -26.170 1.00 0.00 C ATOM 878 O MET A 72 -23.428 -1.077 -27.138 1.00 0.00 O ATOM 879 CB MET A 72 -26.556 -0.938 -26.242 1.00 0.00 C ATOM 880 CG MET A 72 -26.335 0.112 -27.333 1.00 0.00 C ATOM 881 SD MET A 72 -27.679 1.324 -27.288 1.00 0.00 S ATOM 882 CE MET A 72 -28.897 0.364 -28.224 1.00 0.00 C ATOM 0 H MET A 72 -26.423 -2.823 -24.656 1.00 0.00 H new ATOM 0 HA MET A 72 -25.537 -2.479 -27.352 1.00 0.00 H new ATOM 0 HB2 MET A 72 -27.550 -1.374 -26.338 1.00 0.00 H new ATOM 0 HB3 MET A 72 -26.506 -0.471 -25.258 1.00 0.00 H new ATOM 0 HG2 MET A 72 -25.377 0.610 -27.184 1.00 0.00 H new ATOM 0 HG3 MET A 72 -26.296 -0.367 -28.311 1.00 0.00 H new ATOM 0 HE1 MET A 72 -29.036 0.813 -29.207 1.00 0.00 H new ATOM 0 HE2 MET A 72 -28.542 -0.660 -28.339 1.00 0.00 H new ATOM 0 HE3 MET A 72 -29.847 0.361 -27.689 1.00 0.00 H new ATOM 892 N ASN A 73 -23.707 -1.269 -24.914 1.00 0.00 N ATOM 893 CA ASN A 73 -22.409 -0.681 -24.602 1.00 0.00 C ATOM 894 C ASN A 73 -21.269 -1.627 -24.963 1.00 0.00 C ATOM 895 O ASN A 73 -20.585 -1.439 -25.970 1.00 0.00 O ATOM 896 CB ASN A 73 -22.332 -0.338 -23.113 1.00 0.00 C ATOM 897 CG ASN A 73 -21.010 0.356 -22.802 1.00 0.00 C ATOM 898 OD1 ASN A 73 -20.100 0.359 -23.633 1.00 0.00 O ATOM 899 ND2 ASN A 73 -20.847 0.942 -21.648 1.00 0.00 N ATOM 0 H ASN A 73 -24.256 -1.546 -24.100 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.305 0.227 -25.196 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.165 0.309 -22.838 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -22.424 -1.246 -22.518 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -19.964 1.405 -21.431 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -21.602 0.938 -20.963 1.00 0.00 H new ATOM 906 N LEU A 74 -21.062 -2.634 -24.124 1.00 0.00 N ATOM 907 CA LEU A 74 -19.987 -3.594 -24.348 1.00 0.00 C ATOM 908 C LEU A 74 -20.349 -4.575 -25.455 1.00 0.00 C ATOM 909 O LEU A 74 -19.745 -5.639 -25.576 1.00 0.00 O ATOM 910 CB LEU A 74 -19.687 -4.354 -23.056 1.00 0.00 C ATOM 911 CG LEU A 74 -19.498 -3.357 -21.905 1.00 0.00 C ATOM 912 CD1 LEU A 74 -19.179 -4.120 -20.619 1.00 0.00 C ATOM 913 CD2 LEU A 74 -18.347 -2.397 -22.233 1.00 0.00 C ATOM 0 H LEU A 74 -21.620 -2.807 -23.288 1.00 0.00 H new ATOM 0 HA LEU A 74 -19.099 -3.043 -24.658 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -20.503 -5.039 -22.827 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -18.788 -4.959 -23.178 1.00 0.00 H new ATOM 0 HG LEU A 74 -20.415 -2.783 -21.770 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -19.044 -3.413 -19.800 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -20.001 -4.796 -20.383 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -18.264 -4.696 -20.755 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -18.217 -1.691 -21.413 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -17.427 -2.965 -22.372 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -18.578 -1.851 -23.148 1.00 0.00 H new ATOM 925 N GLY A 75 -21.337 -4.207 -26.263 1.00 0.00 N ATOM 926 CA GLY A 75 -21.760 -5.059 -27.367 1.00 0.00 C ATOM 927 C GLY A 75 -22.054 -6.472 -26.879 1.00 0.00 C ATOM 928 O GLY A 75 -21.975 -7.431 -27.646 1.00 0.00 O ATOM 0 H GLY A 75 -21.855 -3.333 -26.176 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -22.650 -4.639 -27.836 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -20.981 -5.087 -28.129 1.00 0.00 H new ATOM 932 N GLY A 76 -22.387 -6.598 -25.596 1.00 0.00 N ATOM 933 CA GLY A 76 -22.683 -7.908 -25.021 1.00 0.00 C ATOM 934 C GLY A 76 -21.406 -8.624 -24.603 1.00 0.00 C ATOM 935 O GLY A 76 -21.136 -9.738 -25.047 1.00 0.00 O ATOM 0 H GLY A 76 -22.458 -5.819 -24.942 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.337 -7.790 -24.157 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -23.222 -8.515 -25.749 1.00 0.00 H new ATOM 939 N HIS A 77 -20.629 -7.980 -23.739 1.00 0.00 N ATOM 940 CA HIS A 77 -19.386 -8.569 -23.257 1.00 0.00 C ATOM 941 C HIS A 77 -19.013 -8.000 -21.898 1.00 0.00 C ATOM 942 O HIS A 77 -18.861 -6.788 -21.746 1.00 0.00 O ATOM 943 CB HIS A 77 -18.257 -8.298 -24.254 1.00 0.00 C ATOM 944 CG HIS A 77 -18.496 -9.093 -25.508 1.00 0.00 C ATOM 945 ND1 HIS A 77 -18.495 -10.478 -25.513 1.00 0.00 N ATOM 946 CD2 HIS A 77 -18.743 -8.712 -26.802 1.00 0.00 C ATOM 947 CE1 HIS A 77 -18.734 -10.880 -26.775 1.00 0.00 C ATOM 948 NE2 HIS A 77 -18.893 -9.842 -27.602 1.00 0.00 N ATOM 0 H HIS A 77 -20.836 -7.056 -23.360 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.533 -9.645 -23.158 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -18.211 -7.234 -24.488 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -17.297 -8.570 -23.816 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -18.811 -7.691 -27.148 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -18.790 -11.914 -27.082 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -19.083 -9.871 -28.604 1.00 0.00 H new ATOM 956 N VAL A 78 -18.860 -8.879 -20.911 1.00 0.00 N ATOM 957 CA VAL A 78 -18.487 -8.442 -19.562 1.00 0.00 C ATOM 958 C VAL A 78 -17.353 -9.310 -19.024 1.00 0.00 C ATOM 959 O VAL A 78 -17.435 -10.537 -19.051 1.00 0.00 O ATOM 960 CB VAL A 78 -19.701 -8.535 -18.635 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.369 -7.884 -17.293 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.885 -7.813 -19.278 1.00 0.00 C ATOM 0 H VAL A 78 -18.986 -9.886 -21.014 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.147 -7.407 -19.605 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.959 -9.582 -18.473 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.234 -7.950 -16.633 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.524 -8.400 -16.837 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.112 -6.836 -17.450 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.752 -7.878 -18.620 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.629 -6.766 -19.439 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -21.120 -8.280 -20.234 1.00 0.00 H new ATOM 972 N ASP A 79 -16.297 -8.664 -18.537 1.00 0.00 N ATOM 973 CA ASP A 79 -15.137 -9.374 -17.988 1.00 0.00 C ATOM 974 C ASP A 79 -15.191 -9.404 -16.474 1.00 0.00 C ATOM 975 O ASP A 79 -15.825 -8.558 -15.846 1.00 0.00 O ATOM 976 CB ASP A 79 -13.851 -8.692 -18.448 1.00 0.00 C ATOM 977 CG ASP A 79 -12.645 -9.494 -17.978 1.00 0.00 C ATOM 978 OD1 ASP A 79 -12.633 -10.693 -18.203 1.00 0.00 O ATOM 979 OD2 ASP A 79 -11.754 -8.900 -17.400 1.00 0.00 O ATOM 0 H ASP A 79 -16.217 -7.647 -18.510 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.155 -10.401 -18.353 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.842 -8.608 -19.535 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.803 -7.679 -18.049 1.00 0.00 H new ATOM 984 N PHE A 80 -14.530 -10.399 -15.890 1.00 0.00 N ATOM 985 CA PHE A 80 -14.514 -10.534 -14.444 1.00 0.00 C ATOM 986 C PHE A 80 -14.289 -9.176 -13.792 1.00 0.00 C ATOM 987 O PHE A 80 -14.734 -8.935 -12.672 1.00 0.00 O ATOM 988 CB PHE A 80 -13.398 -11.499 -14.022 1.00 0.00 C ATOM 989 CG PHE A 80 -13.299 -11.535 -12.512 1.00 0.00 C ATOM 990 CD1 PHE A 80 -14.388 -11.979 -11.755 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.126 -11.123 -11.869 1.00 0.00 C ATOM 992 CE1 PHE A 80 -14.308 -12.015 -10.358 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.044 -11.158 -10.473 1.00 0.00 C ATOM 994 CZ PHE A 80 -13.135 -11.604 -9.718 1.00 0.00 C ATOM 0 H PHE A 80 -14.005 -11.115 -16.392 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.476 -10.930 -14.118 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.603 -12.498 -14.407 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.448 -11.181 -14.451 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.294 -12.295 -12.250 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.284 -10.778 -12.451 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -15.150 -12.359 -9.776 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.138 -10.841 -9.977 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.071 -11.631 -8.640 1.00 0.00 H new ATOM 1004 N ASP A 81 -13.600 -8.293 -14.504 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.318 -6.960 -13.978 1.00 0.00 C ATOM 1006 C ASP A 81 -14.586 -6.122 -13.975 1.00 0.00 C ATOM 1007 O ASP A 81 -14.937 -5.510 -12.967 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.243 -6.275 -14.829 1.00 0.00 C ATOM 1009 CG ASP A 81 -11.994 -4.861 -14.314 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -12.565 -4.514 -13.293 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -11.234 -4.147 -14.947 1.00 0.00 O ATOM 0 H ASP A 81 -13.229 -8.471 -15.437 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.953 -7.056 -12.955 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.319 -6.851 -14.795 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.559 -6.241 -15.871 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.273 -6.106 -15.111 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.505 -5.352 -15.237 1.00 0.00 C ATOM 1018 C ASP A 82 -17.560 -5.916 -14.295 1.00 0.00 C ATOM 1019 O ASP A 82 -18.321 -5.171 -13.686 1.00 0.00 O ATOM 1020 CB ASP A 82 -17.014 -5.399 -16.678 1.00 0.00 C ATOM 1021 CG ASP A 82 -16.119 -4.555 -17.578 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -15.421 -3.702 -17.056 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -16.150 -4.771 -18.779 1.00 0.00 O ATOM 0 H ASP A 82 -14.995 -6.607 -15.955 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.307 -4.314 -14.970 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.031 -6.430 -17.032 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.039 -5.030 -16.722 1.00 0.00 H new ATOM 1028 N PHE A 83 -17.590 -7.236 -14.173 1.00 0.00 N ATOM 1029 CA PHE A 83 -18.540 -7.891 -13.283 1.00 0.00 C ATOM 1030 C PHE A 83 -18.290 -7.462 -11.840 1.00 0.00 C ATOM 1031 O PHE A 83 -19.221 -7.125 -11.108 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.405 -9.411 -13.408 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.196 -10.086 -12.307 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.590 -9.968 -12.275 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.535 -10.819 -11.313 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.323 -10.585 -11.254 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.266 -11.434 -10.294 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.660 -11.319 -10.263 1.00 0.00 C ATOM 0 H PHE A 83 -16.971 -7.872 -14.676 1.00 0.00 H new ATOM 0 HA PHE A 83 -19.551 -7.598 -13.566 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.767 -9.739 -14.382 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.356 -9.699 -13.344 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.101 -9.400 -13.039 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.459 -10.909 -11.335 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.399 -10.495 -11.231 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.754 -11.999 -9.529 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.224 -11.796 -9.475 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.024 -7.483 -11.439 1.00 0.00 N ATOM 1049 CA VAL A 84 -16.656 -7.092 -10.084 1.00 0.00 C ATOM 1050 C VAL A 84 -16.899 -5.600 -9.876 1.00 0.00 C ATOM 1051 O VAL A 84 -17.425 -5.185 -8.844 1.00 0.00 O ATOM 1052 CB VAL A 84 -15.182 -7.420 -9.829 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -14.737 -6.791 -8.500 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.004 -8.938 -9.751 1.00 0.00 C ATOM 0 H VAL A 84 -16.240 -7.765 -12.028 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.275 -7.648 -9.380 1.00 0.00 H new ATOM 0 HB VAL A 84 -14.578 -7.020 -10.643 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -13.688 -7.025 -8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.864 -5.710 -8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.343 -7.191 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -13.955 -9.172 -9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.611 -9.334 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.319 -9.390 -10.691 1.00 0.00 H new ATOM 1064 N GLU A 85 -16.499 -4.803 -10.858 1.00 0.00 N ATOM 1065 CA GLU A 85 -16.668 -3.360 -10.771 1.00 0.00 C ATOM 1066 C GLU A 85 -18.142 -2.992 -10.755 1.00 0.00 C ATOM 1067 O GLU A 85 -18.573 -2.143 -9.973 1.00 0.00 O ATOM 1068 CB GLU A 85 -15.979 -2.684 -11.960 1.00 0.00 C ATOM 1069 CG GLU A 85 -14.460 -2.745 -11.784 1.00 0.00 C ATOM 1070 CD GLU A 85 -14.030 -1.840 -10.634 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -14.429 -0.687 -10.634 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -13.308 -2.310 -9.771 1.00 0.00 O ATOM 0 H GLU A 85 -16.058 -5.129 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.214 -3.014 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.267 -3.179 -12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.304 -1.646 -12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.150 -3.771 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.966 -2.435 -12.705 1.00 0.00 H new ATOM 1079 N LEU A 86 -18.912 -3.633 -11.620 1.00 0.00 N ATOM 1080 CA LEU A 86 -20.337 -3.367 -11.697 1.00 0.00 C ATOM 1081 C LEU A 86 -21.041 -3.813 -10.422 1.00 0.00 C ATOM 1082 O LEU A 86 -21.910 -3.116 -9.897 1.00 0.00 O ATOM 1083 CB LEU A 86 -20.946 -4.098 -12.901 1.00 0.00 C ATOM 1084 CG LEU A 86 -22.447 -3.781 -13.006 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -22.651 -2.269 -13.204 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -23.047 -4.545 -14.188 1.00 0.00 C ATOM 0 H LEU A 86 -18.575 -4.338 -12.275 1.00 0.00 H new ATOM 0 HA LEU A 86 -20.475 -2.292 -11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -20.437 -3.795 -13.816 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -20.800 -5.173 -12.796 1.00 0.00 H new ATOM 0 HG LEU A 86 -22.945 -4.087 -12.086 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -23.717 -2.052 -13.278 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.229 -1.731 -12.355 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -22.152 -1.951 -14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -24.111 -4.321 -14.264 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -22.547 -4.243 -15.108 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -22.911 -5.616 -14.036 1.00 0.00 H new ATOM 1098 N MET A 87 -20.665 -4.989 -9.937 1.00 0.00 N ATOM 1099 CA MET A 87 -21.266 -5.540 -8.731 1.00 0.00 C ATOM 1100 C MET A 87 -20.868 -4.714 -7.516 1.00 0.00 C ATOM 1101 O MET A 87 -21.595 -4.666 -6.523 1.00 0.00 O ATOM 1102 CB MET A 87 -20.833 -6.994 -8.539 1.00 0.00 C ATOM 1103 CG MET A 87 -21.594 -7.605 -7.361 1.00 0.00 C ATOM 1104 SD MET A 87 -21.424 -9.408 -7.401 1.00 0.00 S ATOM 1105 CE MET A 87 -23.062 -9.804 -6.741 1.00 0.00 C ATOM 0 H MET A 87 -19.948 -5.578 -10.360 1.00 0.00 H new ATOM 0 HA MET A 87 -22.350 -5.506 -8.839 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.028 -7.565 -9.447 1.00 0.00 H new ATOM 0 HB3 MET A 87 -19.760 -7.043 -8.356 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.205 -7.213 -6.421 1.00 0.00 H new ATOM 0 HG3 MET A 87 -22.647 -7.327 -7.411 1.00 0.00 H new ATOM 0 HE1 MET A 87 -23.261 -10.867 -6.875 1.00 0.00 H new ATOM 0 HE2 MET A 87 -23.095 -9.560 -5.679 1.00 0.00 H new ATOM 0 HE3 MET A 87 -23.818 -9.224 -7.271 1.00 0.00 H new ATOM 1115 N GLY A 88 -19.707 -4.072 -7.602 1.00 0.00 N ATOM 1116 CA GLY A 88 -19.214 -3.250 -6.506 1.00 0.00 C ATOM 1117 C GLY A 88 -20.335 -2.405 -5.906 1.00 0.00 C ATOM 1118 O GLY A 88 -21.437 -2.339 -6.449 1.00 0.00 O ATOM 0 H GLY A 88 -19.093 -4.106 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.782 -3.888 -5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.416 -2.600 -6.865 1.00 0.00 H new