USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot -17:sc= 0.805 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.0145 (180deg=-0.0145) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.65! C(o=-1.6!,f=-9.5!) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.0345 (180deg=-0.296) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 95:sc= 0.861 USER MOD Single : A 36 GLN : amide:sc= -11! C(o=-11!,f=-18!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -4.97! K(o=-5!,f=-1.1) USER MOD Single : A 55 ASN : amide:sc= -7.16! C(o=-7.2!,f=-6.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -101:sc= -11.2! USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -7.951 -9.746 1.048 1.00 0.00 N ATOM 12 CA SER A 2 -8.368 -8.601 1.905 1.00 0.00 C ATOM 13 C SER A 2 -7.556 -7.362 1.523 1.00 0.00 C ATOM 14 O SER A 2 -7.372 -6.462 2.319 1.00 0.00 O ATOM 15 CB SER A 2 -8.115 -8.946 3.378 1.00 0.00 C ATOM 16 OG SER A 2 -7.563 -10.253 3.463 1.00 0.00 O ATOM 0 HA SER A 2 -9.429 -8.401 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.433 -8.221 3.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.047 -8.894 3.941 1.00 0.00 H new ATOM 0 HG SER A 2 -7.720 -10.730 2.621 1.00 0.00 H new ATOM 22 N ALA A 3 -7.068 -7.304 0.317 1.00 0.00 N ATOM 23 CA ALA A 3 -6.269 -6.119 -0.093 1.00 0.00 C ATOM 24 C ALA A 3 -7.195 -4.924 -0.287 1.00 0.00 C ATOM 25 O ALA A 3 -6.830 -3.795 -0.024 1.00 0.00 O ATOM 26 CB ALA A 3 -5.536 -6.412 -1.397 1.00 0.00 C ATOM 0 H ALA A 3 -7.187 -8.021 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.539 -5.893 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.953 -5.539 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.870 -7.263 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.261 -6.644 -2.178 1.00 0.00 H new ATOM 32 N LYS A 4 -8.400 -5.163 -0.713 1.00 0.00 N ATOM 33 CA LYS A 4 -9.351 -4.036 -0.884 1.00 0.00 C ATOM 34 C LYS A 4 -9.906 -3.704 0.502 1.00 0.00 C ATOM 35 O LYS A 4 -10.233 -2.574 0.805 1.00 0.00 O ATOM 36 CB LYS A 4 -10.475 -4.446 -1.845 1.00 0.00 C ATOM 37 CG LYS A 4 -11.723 -3.585 -1.598 1.00 0.00 C ATOM 38 CD LYS A 4 -12.533 -3.453 -2.896 1.00 0.00 C ATOM 39 CE LYS A 4 -11.882 -2.421 -3.827 1.00 0.00 C ATOM 40 NZ LYS A 4 -12.915 -1.869 -4.748 1.00 0.00 N ATOM 0 H LYS A 4 -8.766 -6.085 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.860 -3.162 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.142 -4.330 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.717 -5.499 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.338 -4.036 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.429 -2.598 -1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.591 -4.419 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.555 -3.152 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.433 -1.618 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.079 -2.886 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.478 -1.169 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.323 -2.640 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.666 -1.412 -4.193 1.00 0.00 H new ATOM 54 N ARG A 5 -9.990 -4.694 1.352 1.00 0.00 N ATOM 55 CA ARG A 5 -10.497 -4.466 2.735 1.00 0.00 C ATOM 56 C ARG A 5 -9.473 -3.645 3.509 1.00 0.00 C ATOM 57 O ARG A 5 -9.776 -2.616 4.082 1.00 0.00 O ATOM 58 CB ARG A 5 -10.634 -5.820 3.426 1.00 0.00 C ATOM 59 CG ARG A 5 -11.331 -5.651 4.782 1.00 0.00 C ATOM 60 CD ARG A 5 -12.851 -5.681 4.587 1.00 0.00 C ATOM 61 NE ARG A 5 -13.508 -4.753 5.559 1.00 0.00 N ATOM 62 CZ ARG A 5 -13.133 -4.713 6.812 1.00 0.00 C ATOM 63 NH1 ARG A 5 -12.247 -5.553 7.269 1.00 0.00 N ATOM 64 NH2 ARG A 5 -13.677 -3.843 7.620 1.00 0.00 N ATOM 0 H ARG A 5 -9.727 -5.657 1.144 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.454 -3.946 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.206 -6.502 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.650 -6.266 3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.026 -6.447 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.032 -4.709 5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.101 -5.390 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.225 -6.695 4.730 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.260 -4.142 5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.838 -6.251 6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.963 -5.512 8.248 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.389 -3.201 7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.390 -3.806 8.598 1.00 0.00 H new ATOM 78 N VAL A 6 -8.255 -4.101 3.520 1.00 0.00 N ATOM 79 CA VAL A 6 -7.190 -3.366 4.244 1.00 0.00 C ATOM 80 C VAL A 6 -7.093 -1.969 3.631 1.00 0.00 C ATOM 81 O VAL A 6 -7.013 -0.970 4.316 1.00 0.00 O ATOM 82 CB VAL A 6 -5.862 -4.145 4.089 1.00 0.00 C ATOM 83 CG1 VAL A 6 -4.963 -3.504 3.024 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.121 -4.189 5.435 1.00 0.00 C ATOM 0 H VAL A 6 -7.951 -4.957 3.055 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.409 -3.274 5.308 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.100 -5.159 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.038 -4.074 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.479 -3.504 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.732 -2.478 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.187 -4.739 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.905 -3.173 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.745 -4.687 6.178 1.00 0.00 H new ATOM 94 N PHE A 7 -7.109 -1.913 2.332 1.00 0.00 N ATOM 95 CA PHE A 7 -7.034 -0.599 1.646 1.00 0.00 C ATOM 96 C PHE A 7 -8.255 0.236 2.053 1.00 0.00 C ATOM 97 O PHE A 7 -8.137 1.398 2.387 1.00 0.00 O ATOM 98 CB PHE A 7 -6.997 -0.805 0.126 1.00 0.00 C ATOM 99 CG PHE A 7 -7.294 0.490 -0.612 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.179 1.739 0.023 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.708 0.437 -1.946 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.481 2.908 -0.672 1.00 0.00 C ATOM 103 CE2 PHE A 7 -7.994 1.617 -2.634 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.882 2.850 -1.993 1.00 0.00 C ATOM 0 H PHE A 7 -7.171 -2.723 1.715 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.125 -0.073 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.016 -1.178 -0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.726 -1.564 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.856 1.792 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.806 -0.516 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.401 3.864 -0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.304 1.575 -3.668 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.109 3.760 -2.529 1.00 0.00 H new ATOM 114 N GLU A 8 -9.423 -0.336 2.060 1.00 0.00 N ATOM 115 CA GLU A 8 -10.610 0.464 2.469 1.00 0.00 C ATOM 116 C GLU A 8 -10.286 1.165 3.789 1.00 0.00 C ATOM 117 O GLU A 8 -10.633 2.309 4.000 1.00 0.00 O ATOM 118 CB GLU A 8 -11.817 -0.460 2.656 1.00 0.00 C ATOM 119 CG GLU A 8 -12.388 -0.849 1.282 1.00 0.00 C ATOM 120 CD GLU A 8 -13.592 0.039 0.951 1.00 0.00 C ATOM 121 OE1 GLU A 8 -14.692 -0.316 1.343 1.00 0.00 O ATOM 122 OE2 GLU A 8 -13.392 1.058 0.311 1.00 0.00 O ATOM 0 H GLU A 8 -9.608 -1.306 1.805 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.849 1.201 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.521 -1.354 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.582 0.040 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.621 -0.739 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.687 -1.897 1.286 1.00 0.00 H new ATOM 129 N LYS A 9 -9.631 0.482 4.682 1.00 0.00 N ATOM 130 CA LYS A 9 -9.293 1.102 5.984 1.00 0.00 C ATOM 131 C LYS A 9 -8.202 2.173 5.802 1.00 0.00 C ATOM 132 O LYS A 9 -8.208 3.184 6.475 1.00 0.00 O ATOM 133 CB LYS A 9 -8.812 0.018 6.948 1.00 0.00 C ATOM 134 CG LYS A 9 -8.682 0.607 8.354 1.00 0.00 C ATOM 135 CD LYS A 9 -7.375 1.408 8.466 1.00 0.00 C ATOM 136 CE LYS A 9 -6.526 0.825 9.589 1.00 0.00 C ATOM 137 NZ LYS A 9 -5.311 1.667 9.789 1.00 0.00 N ATOM 0 H LYS A 9 -9.316 -0.481 4.564 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.181 1.585 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.515 -0.815 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.852 -0.377 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.534 1.253 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.694 -0.192 9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.829 1.370 7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.593 2.457 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.106 0.781 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.236 -0.197 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.734 1.267 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.754 1.687 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.597 2.635 10.040 1.00 0.00 H new ATOM 151 N PHE A 10 -7.269 1.975 4.899 1.00 0.00 N ATOM 152 CA PHE A 10 -6.200 3.000 4.698 1.00 0.00 C ATOM 153 C PHE A 10 -6.690 4.069 3.740 1.00 0.00 C ATOM 154 O PHE A 10 -6.140 5.146 3.690 1.00 0.00 O ATOM 155 CB PHE A 10 -4.946 2.340 4.140 1.00 0.00 C ATOM 156 CG PHE A 10 -4.589 1.140 4.993 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.569 1.257 6.391 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.275 -0.088 4.395 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.238 0.153 7.186 1.00 0.00 C ATOM 160 CE2 PHE A 10 -3.939 -1.192 5.196 1.00 0.00 C ATOM 161 CZ PHE A 10 -3.922 -1.069 6.588 1.00 0.00 C ATOM 0 H PHE A 10 -7.204 1.154 4.298 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.961 3.460 5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.113 2.030 3.108 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.121 3.052 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.810 2.202 6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.291 -0.185 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.227 0.246 8.262 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.693 -2.137 4.735 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.664 -1.919 7.202 1.00 0.00 H new ATOM 171 N ASP A 11 -7.718 3.798 2.984 1.00 0.00 N ATOM 172 CA ASP A 11 -8.222 4.838 2.049 1.00 0.00 C ATOM 173 C ASP A 11 -8.372 6.139 2.823 1.00 0.00 C ATOM 174 O ASP A 11 -9.448 6.561 3.198 1.00 0.00 O ATOM 175 CB ASP A 11 -9.562 4.405 1.447 1.00 0.00 C ATOM 176 CG ASP A 11 -10.651 4.436 2.521 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.305 4.533 3.687 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.814 4.359 2.160 1.00 0.00 O ATOM 0 H ASP A 11 -8.224 2.913 2.974 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.521 4.978 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.832 5.067 0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.477 3.400 1.033 1.00 0.00 H new ATOM 183 N LYS A 12 -7.272 6.773 3.047 1.00 0.00 N ATOM 184 CA LYS A 12 -7.257 8.054 3.778 1.00 0.00 C ATOM 185 C LYS A 12 -7.612 9.165 2.796 1.00 0.00 C ATOM 186 O LYS A 12 -7.893 10.288 3.166 1.00 0.00 O ATOM 187 CB LYS A 12 -5.854 8.216 4.350 1.00 0.00 C ATOM 188 CG LYS A 12 -5.224 9.538 3.929 1.00 0.00 C ATOM 189 CD LYS A 12 -3.852 9.640 4.595 1.00 0.00 C ATOM 190 CE LYS A 12 -2.858 10.325 3.653 1.00 0.00 C ATOM 191 NZ LYS A 12 -1.766 10.947 4.454 1.00 0.00 N ATOM 0 H LYS A 12 -6.354 6.448 2.745 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.980 8.090 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.896 8.163 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.226 7.390 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.126 9.585 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.856 10.374 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.932 10.204 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.491 8.645 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.443 9.599 2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.367 11.085 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.090 11.413 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.170 11.651 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.275 10.212 5.002 1.00 0.00 H new ATOM 205 N ASN A 13 -7.645 8.821 1.542 1.00 0.00 N ATOM 206 CA ASN A 13 -8.028 9.798 0.480 1.00 0.00 C ATOM 207 C ASN A 13 -9.303 9.291 -0.215 1.00 0.00 C ATOM 208 O ASN A 13 -9.667 9.755 -1.277 1.00 0.00 O ATOM 209 CB ASN A 13 -6.896 9.911 -0.544 1.00 0.00 C ATOM 210 CG ASN A 13 -6.515 8.514 -1.037 1.00 0.00 C ATOM 211 OD1 ASN A 13 -7.319 7.605 -1.001 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.311 8.304 -1.495 1.00 0.00 N ATOM 0 H ASN A 13 -7.419 7.888 1.198 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.208 10.778 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.211 10.531 -1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.031 10.398 -0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.045 7.376 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.636 9.068 -1.525 1.00 0.00 H new ATOM 219 N LYS A 14 -9.974 8.337 0.397 1.00 0.00 N ATOM 220 CA LYS A 14 -11.229 7.769 -0.203 1.00 0.00 C ATOM 221 C LYS A 14 -11.164 7.969 -1.712 1.00 0.00 C ATOM 222 O LYS A 14 -12.062 8.498 -2.338 1.00 0.00 O ATOM 223 CB LYS A 14 -12.451 8.493 0.367 1.00 0.00 C ATOM 224 CG LYS A 14 -12.293 8.670 1.887 1.00 0.00 C ATOM 225 CD LYS A 14 -11.720 10.061 2.198 1.00 0.00 C ATOM 226 CE LYS A 14 -12.854 11.089 2.237 1.00 0.00 C ATOM 227 NZ LYS A 14 -13.643 10.914 3.489 1.00 0.00 N ATOM 0 H LYS A 14 -9.704 7.926 1.291 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.315 6.708 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.564 9.466 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.355 7.924 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.258 8.547 2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.633 7.899 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.198 10.044 3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.988 10.341 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.445 12.098 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.500 10.966 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.149 11.796 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.329 10.143 3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.002 10.681 4.274 1.00 0.00 H new ATOM 241 N ASP A 15 -10.053 7.593 -2.267 1.00 0.00 N ATOM 242 CA ASP A 15 -9.827 7.794 -3.713 1.00 0.00 C ATOM 243 C ASP A 15 -9.867 6.473 -4.452 1.00 0.00 C ATOM 244 O ASP A 15 -10.181 6.440 -5.625 1.00 0.00 O ATOM 245 CB ASP A 15 -8.457 8.447 -3.917 1.00 0.00 C ATOM 246 CG ASP A 15 -8.388 9.066 -5.315 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.306 8.841 -6.086 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.419 9.754 -5.589 1.00 0.00 O ATOM 0 H ASP A 15 -9.281 7.148 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.615 8.435 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.292 9.214 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.667 7.705 -3.797 1.00 0.00 H new ATOM 253 N GLY A 16 -9.498 5.380 -3.837 1.00 0.00 N ATOM 254 CA GLY A 16 -9.472 4.109 -4.596 1.00 0.00 C ATOM 255 C GLY A 16 -8.028 3.915 -4.975 1.00 0.00 C ATOM 256 O GLY A 16 -7.673 3.072 -5.774 1.00 0.00 O ATOM 0 H GLY A 16 -9.219 5.318 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.837 3.279 -3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.109 4.163 -5.479 1.00 0.00 H new ATOM 260 N LYS A 17 -7.190 4.690 -4.337 1.00 0.00 N ATOM 261 CA LYS A 17 -5.741 4.599 -4.553 1.00 0.00 C ATOM 262 C LYS A 17 -5.020 5.072 -3.308 1.00 0.00 C ATOM 263 O LYS A 17 -5.477 5.928 -2.576 1.00 0.00 O ATOM 264 CB LYS A 17 -5.285 5.461 -5.708 1.00 0.00 C ATOM 265 CG LYS A 17 -6.008 5.078 -7.008 1.00 0.00 C ATOM 266 CD LYS A 17 -7.204 6.011 -7.230 1.00 0.00 C ATOM 267 CE LYS A 17 -6.713 7.337 -7.820 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.762 7.264 -9.307 1.00 0.00 N ATOM 0 H LYS A 17 -7.472 5.398 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.510 3.558 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.474 6.510 -5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.209 5.353 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.320 5.146 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.347 4.043 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.923 5.545 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.720 6.189 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.335 8.159 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.695 7.541 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.429 8.163 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.151 6.490 -9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.740 7.088 -9.614 1.00 0.00 H new ATOM 282 N LEU A 18 -3.882 4.514 -3.095 1.00 0.00 N ATOM 283 CA LEU A 18 -3.052 4.885 -1.934 1.00 0.00 C ATOM 284 C LEU A 18 -1.738 5.445 -2.384 1.00 0.00 C ATOM 285 O LEU A 18 -1.262 5.163 -3.448 1.00 0.00 O ATOM 286 CB LEU A 18 -2.758 3.685 -1.116 1.00 0.00 C ATOM 287 CG LEU A 18 -3.553 3.725 0.153 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.025 3.594 -0.121 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.077 2.584 1.010 1.00 0.00 C ATOM 0 H LEU A 18 -3.477 3.794 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.605 5.626 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.000 2.783 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.693 3.642 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.408 4.681 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.575 3.627 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.351 4.415 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.219 2.645 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.633 2.577 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.239 1.643 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.014 2.705 1.219 1.00 0.00 H new ATOM 301 N SER A 19 -1.136 6.194 -1.537 1.00 0.00 N ATOM 302 CA SER A 19 0.183 6.769 -1.838 1.00 0.00 C ATOM 303 C SER A 19 1.202 5.993 -1.036 1.00 0.00 C ATOM 304 O SER A 19 0.893 5.448 0.004 1.00 0.00 O ATOM 305 CB SER A 19 0.211 8.212 -1.381 1.00 0.00 C ATOM 306 OG SER A 19 -0.984 8.864 -1.794 1.00 0.00 O ATOM 0 H SER A 19 -1.510 6.441 -0.621 1.00 0.00 H new ATOM 0 HA SER A 19 0.394 6.719 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.307 8.259 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.079 8.721 -1.801 1.00 0.00 H new ATOM 0 HG SER A 19 -0.967 9.798 -1.497 1.00 0.00 H new ATOM 312 N LEU A 20 2.411 5.947 -1.478 1.00 0.00 N ATOM 313 CA LEU A 20 3.421 5.221 -0.695 1.00 0.00 C ATOM 314 C LEU A 20 3.320 5.754 0.710 1.00 0.00 C ATOM 315 O LEU A 20 3.678 5.129 1.683 1.00 0.00 O ATOM 316 CB LEU A 20 4.786 5.534 -1.283 1.00 0.00 C ATOM 317 CG LEU A 20 5.848 4.582 -0.743 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.555 5.221 0.436 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.243 3.251 -0.294 1.00 0.00 C ATOM 0 H LEU A 20 2.743 6.377 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 20 3.273 4.141 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.743 5.458 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.060 6.562 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 20 6.553 4.384 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.313 4.538 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.030 6.148 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.831 5.437 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.033 2.601 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.513 3.431 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.752 2.771 -1.140 1.00 0.00 H new ATOM 331 N ASP A 21 2.766 6.905 0.783 1.00 0.00 N ATOM 332 CA ASP A 21 2.532 7.554 2.087 1.00 0.00 C ATOM 333 C ASP A 21 1.464 6.760 2.854 1.00 0.00 C ATOM 334 O ASP A 21 1.632 6.480 4.024 1.00 0.00 O ATOM 335 CB ASP A 21 2.053 8.995 1.871 1.00 0.00 C ATOM 336 CG ASP A 21 2.677 9.555 0.590 1.00 0.00 C ATOM 337 OD1 ASP A 21 3.837 9.268 0.346 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.984 10.259 -0.124 1.00 0.00 O ATOM 0 H ASP A 21 2.454 7.445 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 21 3.459 7.573 2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.966 9.021 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.331 9.614 2.724 1.00 0.00 H new ATOM 343 N GLU A 22 0.357 6.386 2.230 1.00 0.00 N ATOM 344 CA GLU A 22 -0.672 5.622 2.980 1.00 0.00 C ATOM 345 C GLU A 22 -0.174 4.199 3.215 1.00 0.00 C ATOM 346 O GLU A 22 -0.333 3.647 4.283 1.00 0.00 O ATOM 347 CB GLU A 22 -1.971 5.580 2.183 1.00 0.00 C ATOM 348 CG GLU A 22 -2.664 6.944 2.239 1.00 0.00 C ATOM 349 CD GLU A 22 -4.040 6.855 1.576 1.00 0.00 C ATOM 350 OE1 GLU A 22 -4.805 5.984 1.957 1.00 0.00 O ATOM 351 OE2 GLU A 22 -4.306 7.658 0.698 1.00 0.00 O ATOM 0 H GLU A 22 0.138 6.579 1.253 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.855 6.110 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.763 5.311 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.630 4.811 2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.770 7.266 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.054 7.693 1.733 1.00 0.00 H new ATOM 358 N PHE A 23 0.453 3.609 2.230 1.00 0.00 N ATOM 359 CA PHE A 23 0.985 2.243 2.400 1.00 0.00 C ATOM 360 C PHE A 23 2.196 2.299 3.337 1.00 0.00 C ATOM 361 O PHE A 23 2.532 1.329 3.978 1.00 0.00 O ATOM 362 CB PHE A 23 1.426 1.680 1.070 1.00 0.00 C ATOM 363 CG PHE A 23 2.026 0.316 1.290 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.198 -0.789 1.514 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.410 0.164 1.285 1.00 0.00 C ATOM 366 CE1 PHE A 23 1.763 -2.050 1.730 1.00 0.00 C ATOM 367 CE2 PHE A 23 3.978 -1.095 1.499 1.00 0.00 C ATOM 368 CZ PHE A 23 3.154 -2.204 1.724 1.00 0.00 C ATOM 0 H PHE A 23 0.615 4.025 1.313 1.00 0.00 H new ATOM 0 HA PHE A 23 0.204 1.606 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.577 1.613 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.156 2.342 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.125 -0.669 1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.046 1.020 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.126 -2.905 1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.052 -1.212 1.491 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.591 -3.177 1.893 1.00 0.00 H new ATOM 378 N ARG A 24 2.845 3.439 3.438 1.00 0.00 N ATOM 379 CA ARG A 24 4.011 3.559 4.362 1.00 0.00 C ATOM 380 C ARG A 24 3.475 3.754 5.778 1.00 0.00 C ATOM 381 O ARG A 24 4.046 3.295 6.740 1.00 0.00 O ATOM 382 CB ARG A 24 4.872 4.749 3.951 1.00 0.00 C ATOM 383 CG ARG A 24 6.003 4.935 4.965 1.00 0.00 C ATOM 384 CD ARG A 24 7.307 5.229 4.225 1.00 0.00 C ATOM 385 NE ARG A 24 8.326 5.784 5.177 1.00 0.00 N ATOM 386 CZ ARG A 24 8.076 6.836 5.910 1.00 0.00 C ATOM 387 NH1 ARG A 24 6.983 7.523 5.730 1.00 0.00 N ATOM 388 NH2 ARG A 24 8.947 7.227 6.799 1.00 0.00 N ATOM 0 H ARG A 24 2.614 4.287 2.920 1.00 0.00 H new ATOM 0 HA ARG A 24 4.627 2.661 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.285 4.586 2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.263 5.652 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.766 5.753 5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.112 4.037 5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.687 4.317 3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.125 5.940 3.420 1.00 0.00 H new ATOM 0 HE ARG A 24 9.236 5.329 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.315 7.240 5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.795 8.343 6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.819 6.712 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.756 8.048 7.374 1.00 0.00 H new ATOM 402 N GLU A 25 2.332 4.365 5.888 1.00 0.00 N ATOM 403 CA GLU A 25 1.701 4.514 7.226 1.00 0.00 C ATOM 404 C GLU A 25 1.185 3.121 7.548 1.00 0.00 C ATOM 405 O GLU A 25 1.238 2.630 8.658 1.00 0.00 O ATOM 406 CB GLU A 25 0.540 5.511 7.155 1.00 0.00 C ATOM 407 CG GLU A 25 0.162 5.953 8.568 1.00 0.00 C ATOM 408 CD GLU A 25 -1.002 6.943 8.501 1.00 0.00 C ATOM 409 OE1 GLU A 25 -0.985 7.788 7.621 1.00 0.00 O ATOM 410 OE2 GLU A 25 -1.890 6.840 9.330 1.00 0.00 O ATOM 0 H GLU A 25 1.808 4.767 5.111 1.00 0.00 H new ATOM 0 HA GLU A 25 2.392 4.890 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.825 6.376 6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.318 5.052 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.118 5.087 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.019 6.416 9.057 1.00 0.00 H new ATOM 417 N VAL A 26 0.724 2.491 6.512 1.00 0.00 N ATOM 418 CA VAL A 26 0.207 1.101 6.551 1.00 0.00 C ATOM 419 C VAL A 26 1.343 0.155 6.895 1.00 0.00 C ATOM 420 O VAL A 26 1.201 -0.787 7.651 1.00 0.00 O ATOM 421 CB VAL A 26 -0.219 0.817 5.110 1.00 0.00 C ATOM 422 CG1 VAL A 26 0.082 -0.614 4.672 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.681 1.087 4.913 1.00 0.00 C ATOM 0 H VAL A 26 0.683 2.911 5.583 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.595 0.976 7.278 1.00 0.00 H new ATOM 0 HB VAL A 26 0.371 1.493 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.243 -0.755 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.154 -0.798 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.450 -1.312 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.954 0.876 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.262 0.449 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.891 2.133 5.138 1.00 0.00 H new ATOM 433 N ALA A 27 2.459 0.398 6.285 1.00 0.00 N ATOM 434 CA ALA A 27 3.637 -0.469 6.481 1.00 0.00 C ATOM 435 C ALA A 27 4.305 -0.136 7.810 1.00 0.00 C ATOM 436 O ALA A 27 4.819 -0.990 8.498 1.00 0.00 O ATOM 437 CB ALA A 27 4.616 -0.241 5.327 1.00 0.00 C ATOM 0 H ALA A 27 2.606 1.179 5.645 1.00 0.00 H new ATOM 0 HA ALA A 27 3.331 -1.515 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.491 -0.877 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.130 -0.488 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.926 0.804 5.314 1.00 0.00 H new ATOM 443 N LEU A 28 4.294 1.111 8.163 1.00 0.00 N ATOM 444 CA LEU A 28 4.923 1.530 9.442 1.00 0.00 C ATOM 445 C LEU A 28 3.980 1.197 10.594 1.00 0.00 C ATOM 446 O LEU A 28 4.408 0.924 11.697 1.00 0.00 O ATOM 447 CB LEU A 28 5.171 3.042 9.422 1.00 0.00 C ATOM 448 CG LEU A 28 6.502 3.381 8.716 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.825 2.371 7.605 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.399 4.780 8.101 1.00 0.00 C ATOM 0 H LEU A 28 3.874 1.865 7.619 1.00 0.00 H new ATOM 0 HA LEU A 28 5.870 1.006 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.348 3.541 8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.191 3.423 10.443 1.00 0.00 H new ATOM 0 HG LEU A 28 7.300 3.341 9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.768 2.641 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.908 1.372 8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.029 2.381 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.335 5.027 7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.584 4.800 7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.204 5.510 8.887 1.00 0.00 H new ATOM 462 N ALA A 29 2.698 1.239 10.358 1.00 0.00 N ATOM 463 CA ALA A 29 1.718 0.951 11.438 1.00 0.00 C ATOM 464 C ALA A 29 1.589 -0.553 11.716 1.00 0.00 C ATOM 465 O ALA A 29 1.802 -1.009 12.823 1.00 0.00 O ATOM 466 CB ALA A 29 0.362 1.490 10.985 1.00 0.00 C ATOM 0 H ALA A 29 2.285 1.463 9.453 1.00 0.00 H new ATOM 0 HA ALA A 29 2.059 1.425 12.358 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.383 1.295 11.756 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.436 2.564 10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.065 0.996 10.060 1.00 0.00 H new ATOM 472 N PHE A 30 1.195 -1.322 10.732 1.00 0.00 N ATOM 473 CA PHE A 30 0.997 -2.789 10.957 1.00 0.00 C ATOM 474 C PHE A 30 2.318 -3.553 10.854 1.00 0.00 C ATOM 475 O PHE A 30 2.623 -4.382 11.689 1.00 0.00 O ATOM 476 CB PHE A 30 0.018 -3.329 9.910 1.00 0.00 C ATOM 477 CG PHE A 30 -1.395 -2.955 10.299 1.00 0.00 C ATOM 478 CD1 PHE A 30 -1.831 -1.633 10.158 1.00 0.00 C ATOM 479 CD2 PHE A 30 -2.263 -3.931 10.801 1.00 0.00 C ATOM 480 CE1 PHE A 30 -3.139 -1.286 10.520 1.00 0.00 C ATOM 481 CE2 PHE A 30 -3.571 -3.584 11.163 1.00 0.00 C ATOM 482 CZ PHE A 30 -4.008 -2.261 11.024 1.00 0.00 C ATOM 0 H PHE A 30 1.002 -0.999 9.784 1.00 0.00 H new ATOM 0 HA PHE A 30 0.599 -2.931 11.962 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.257 -2.919 8.928 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.111 -4.412 9.835 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.160 -0.881 9.770 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.925 -4.951 10.909 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.477 -0.266 10.410 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.242 -4.337 11.549 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.016 -1.993 11.306 1.00 0.00 H new ATOM 492 N SER A 31 3.099 -3.299 9.839 1.00 0.00 N ATOM 493 CA SER A 31 4.393 -4.029 9.688 1.00 0.00 C ATOM 494 C SER A 31 5.552 -3.044 9.856 1.00 0.00 C ATOM 495 O SER A 31 6.254 -2.740 8.913 1.00 0.00 O ATOM 496 CB SER A 31 4.458 -4.655 8.293 1.00 0.00 C ATOM 497 OG SER A 31 3.187 -5.202 7.967 1.00 0.00 O ATOM 0 H SER A 31 2.898 -2.618 9.107 1.00 0.00 H new ATOM 0 HA SER A 31 4.465 -4.810 10.445 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.744 -3.903 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.220 -5.434 8.266 1.00 0.00 H new ATOM 0 HG SER A 31 3.223 -5.603 7.073 1.00 0.00 H new ATOM 503 N PRO A 32 5.745 -2.538 11.047 1.00 0.00 N ATOM 504 CA PRO A 32 6.829 -1.557 11.329 1.00 0.00 C ATOM 505 C PRO A 32 8.208 -2.081 10.928 1.00 0.00 C ATOM 506 O PRO A 32 9.135 -1.315 10.743 1.00 0.00 O ATOM 507 CB PRO A 32 6.754 -1.322 12.848 1.00 0.00 C ATOM 508 CG PRO A 32 5.886 -2.412 13.392 1.00 0.00 C ATOM 509 CD PRO A 32 4.965 -2.844 12.255 1.00 0.00 C ATOM 0 HA PRO A 32 6.694 -0.642 10.752 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.747 -1.353 13.297 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.334 -0.341 13.071 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.489 -3.250 13.741 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.308 -2.058 14.245 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.721 -3.904 12.317 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.022 -2.298 12.273 1.00 0.00 H new ATOM 517 N TYR A 33 8.372 -3.371 10.794 1.00 0.00 N ATOM 518 CA TYR A 33 9.705 -3.906 10.413 1.00 0.00 C ATOM 519 C TYR A 33 9.933 -3.723 8.909 1.00 0.00 C ATOM 520 O TYR A 33 11.009 -3.985 8.407 1.00 0.00 O ATOM 521 CB TYR A 33 9.772 -5.397 10.762 1.00 0.00 C ATOM 522 CG TYR A 33 8.967 -5.657 12.014 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.508 -5.352 13.269 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.681 -6.202 11.919 1.00 0.00 C ATOM 525 CE1 TYR A 33 8.760 -5.591 14.428 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.935 -6.441 13.078 1.00 0.00 C ATOM 527 CZ TYR A 33 7.474 -6.136 14.333 1.00 0.00 C ATOM 528 OH TYR A 33 6.738 -6.372 15.478 1.00 0.00 O ATOM 0 H TYR A 33 7.643 -4.071 10.932 1.00 0.00 H new ATOM 0 HA TYR A 33 10.478 -3.365 10.959 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.383 -5.993 9.936 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.808 -5.700 10.913 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.501 -4.933 13.343 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.265 -6.438 10.951 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.176 -5.355 15.396 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.943 -6.861 13.004 1.00 0.00 H new ATOM 0 HH TYR A 33 5.867 -6.751 15.235 1.00 0.00 H new ATOM 538 N PHE A 34 8.947 -3.271 8.179 1.00 0.00 N ATOM 539 CA PHE A 34 9.161 -3.082 6.717 1.00 0.00 C ATOM 540 C PHE A 34 10.186 -1.991 6.526 1.00 0.00 C ATOM 541 O PHE A 34 10.037 -0.884 7.005 1.00 0.00 O ATOM 542 CB PHE A 34 7.859 -2.669 6.000 1.00 0.00 C ATOM 543 CG PHE A 34 7.467 -3.711 4.974 1.00 0.00 C ATOM 544 CD1 PHE A 34 6.733 -4.832 5.367 1.00 0.00 C ATOM 545 CD2 PHE A 34 7.837 -3.552 3.632 1.00 0.00 C ATOM 546 CE1 PHE A 34 6.368 -5.799 4.423 1.00 0.00 C ATOM 547 CE2 PHE A 34 7.471 -4.517 2.686 1.00 0.00 C ATOM 548 CZ PHE A 34 6.737 -5.641 3.082 1.00 0.00 C ATOM 0 H PHE A 34 8.019 -3.029 8.525 1.00 0.00 H new ATOM 0 HA PHE A 34 9.498 -4.027 6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.058 -2.548 6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.995 -1.703 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.446 -4.953 6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.404 -2.685 3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.802 -6.666 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.755 -4.394 1.651 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.455 -6.386 2.353 1.00 0.00 H new ATOM 558 N THR A 35 11.226 -2.293 5.824 1.00 0.00 N ATOM 559 CA THR A 35 12.256 -1.274 5.600 1.00 0.00 C ATOM 560 C THR A 35 11.798 -0.340 4.506 1.00 0.00 C ATOM 561 O THR A 35 11.164 -0.734 3.550 1.00 0.00 O ATOM 562 CB THR A 35 13.567 -1.942 5.215 1.00 0.00 C ATOM 563 OG1 THR A 35 13.369 -3.342 5.086 1.00 0.00 O ATOM 564 CG2 THR A 35 14.566 -1.663 6.318 1.00 0.00 C ATOM 0 H THR A 35 11.405 -3.202 5.397 1.00 0.00 H new ATOM 0 HA THR A 35 12.416 -0.703 6.514 1.00 0.00 H new ATOM 0 HB THR A 35 13.932 -1.555 4.264 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.202 -3.563 4.146 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.520 -2.130 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.704 -0.587 6.420 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.194 -2.071 7.258 1.00 0.00 H new ATOM 572 N GLN A 36 12.110 0.899 4.651 1.00 0.00 N ATOM 573 CA GLN A 36 11.690 1.887 3.645 1.00 0.00 C ATOM 574 C GLN A 36 12.080 1.404 2.256 1.00 0.00 C ATOM 575 O GLN A 36 11.432 1.718 1.289 1.00 0.00 O ATOM 576 CB GLN A 36 12.396 3.193 3.941 1.00 0.00 C ATOM 577 CG GLN A 36 11.776 4.310 3.099 1.00 0.00 C ATOM 578 CD GLN A 36 10.261 4.321 3.278 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.772 4.094 4.366 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.499 4.572 2.249 1.00 0.00 N ATOM 0 H GLN A 36 12.645 1.277 5.433 1.00 0.00 H new ATOM 0 HA GLN A 36 10.609 2.022 3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.311 3.432 5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.459 3.103 3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.192 5.273 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 36 12.025 4.165 2.048 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.918 4.762 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.485 4.579 2.355 1.00 0.00 H new ATOM 589 N GLU A 37 13.116 0.625 2.163 1.00 0.00 N ATOM 590 CA GLU A 37 13.536 0.098 0.834 1.00 0.00 C ATOM 591 C GLU A 37 12.567 -1.012 0.429 1.00 0.00 C ATOM 592 O GLU A 37 12.233 -1.171 -0.729 1.00 0.00 O ATOM 593 CB GLU A 37 14.957 -0.463 0.924 1.00 0.00 C ATOM 594 CG GLU A 37 15.433 -0.877 -0.470 1.00 0.00 C ATOM 595 CD GLU A 37 16.911 -1.264 -0.409 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.450 -1.299 0.685 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.480 -1.518 -1.458 1.00 0.00 O ATOM 0 H GLU A 37 13.693 0.328 2.950 1.00 0.00 H new ATOM 0 HA GLU A 37 13.522 0.897 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.629 0.287 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.979 -1.320 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.841 -1.717 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.289 -0.057 -1.174 1.00 0.00 H new ATOM 604 N ASP A 38 12.097 -1.768 1.382 1.00 0.00 N ATOM 605 CA ASP A 38 11.131 -2.854 1.060 1.00 0.00 C ATOM 606 C ASP A 38 9.768 -2.227 0.754 1.00 0.00 C ATOM 607 O ASP A 38 9.078 -2.636 -0.153 1.00 0.00 O ATOM 608 CB ASP A 38 11.005 -3.800 2.255 1.00 0.00 C ATOM 609 CG ASP A 38 12.226 -4.723 2.306 1.00 0.00 C ATOM 610 OD1 ASP A 38 12.583 -5.259 1.270 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.782 -4.877 3.381 1.00 0.00 O ATOM 0 H ASP A 38 12.340 -1.681 2.369 1.00 0.00 H new ATOM 0 HA ASP A 38 11.482 -3.418 0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.930 -3.227 3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.093 -4.390 2.171 1.00 0.00 H new ATOM 616 N ILE A 39 9.382 -1.229 1.509 1.00 0.00 N ATOM 617 CA ILE A 39 8.064 -0.565 1.269 1.00 0.00 C ATOM 618 C ILE A 39 8.079 0.121 -0.093 1.00 0.00 C ATOM 619 O ILE A 39 7.146 0.042 -0.862 1.00 0.00 O ATOM 620 CB ILE A 39 7.821 0.513 2.335 1.00 0.00 C ATOM 621 CG1 ILE A 39 8.075 -0.055 3.726 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.372 0.995 2.256 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.178 1.083 4.754 1.00 0.00 C ATOM 0 H ILE A 39 9.924 -0.845 2.283 1.00 0.00 H new ATOM 0 HA ILE A 39 7.280 -1.322 1.310 1.00 0.00 H new ATOM 0 HB ILE A 39 8.502 1.344 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.268 -0.733 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.995 -0.639 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.201 1.760 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.181 1.414 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.699 0.155 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.360 0.664 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.001 1.744 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.246 1.649 4.765 1.00 0.00 H new ATOM 635 N VAL A 40 9.137 0.817 -0.368 1.00 0.00 N ATOM 636 CA VAL A 40 9.240 1.544 -1.648 1.00 0.00 C ATOM 637 C VAL A 40 9.506 0.575 -2.780 1.00 0.00 C ATOM 638 O VAL A 40 9.003 0.743 -3.863 1.00 0.00 O ATOM 639 CB VAL A 40 10.334 2.571 -1.533 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.909 3.540 -0.443 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.649 1.899 -1.172 1.00 0.00 C ATOM 0 H VAL A 40 9.944 0.913 0.249 1.00 0.00 H new ATOM 0 HA VAL A 40 8.301 2.052 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 40 10.486 3.094 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.673 4.308 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.965 4.009 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.784 3.000 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.433 2.652 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.544 1.382 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.915 1.180 -1.947 1.00 0.00 H new ATOM 651 N LYS A 41 10.246 -0.467 -2.561 1.00 0.00 N ATOM 652 CA LYS A 41 10.426 -1.416 -3.682 1.00 0.00 C ATOM 653 C LYS A 41 9.031 -1.953 -3.988 1.00 0.00 C ATOM 654 O LYS A 41 8.523 -1.827 -5.081 1.00 0.00 O ATOM 655 CB LYS A 41 11.354 -2.558 -3.255 1.00 0.00 C ATOM 656 CG LYS A 41 11.592 -3.500 -4.441 1.00 0.00 C ATOM 657 CD LYS A 41 12.313 -4.767 -3.960 1.00 0.00 C ATOM 658 CE LYS A 41 11.290 -5.789 -3.455 1.00 0.00 C ATOM 659 NZ LYS A 41 11.989 -7.054 -3.092 1.00 0.00 N ATOM 0 H LYS A 41 10.719 -0.698 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 41 10.875 -0.940 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.303 -2.155 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.912 -3.108 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.641 -3.765 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.188 -2.998 -5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.896 -5.196 -4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.014 -4.517 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.761 -5.392 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.542 -5.982 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.295 -7.748 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.475 -7.435 -3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.686 -6.863 -2.344 1.00 0.00 H new ATOM 673 N PHE A 42 8.401 -2.530 -3.002 1.00 0.00 N ATOM 674 CA PHE A 42 7.027 -3.072 -3.173 1.00 0.00 C ATOM 675 C PHE A 42 6.108 -1.988 -3.766 1.00 0.00 C ATOM 676 O PHE A 42 5.384 -2.237 -4.704 1.00 0.00 O ATOM 677 CB PHE A 42 6.557 -3.545 -1.774 1.00 0.00 C ATOM 678 CG PHE A 42 5.078 -3.317 -1.519 1.00 0.00 C ATOM 679 CD1 PHE A 42 4.576 -2.018 -1.374 1.00 0.00 C ATOM 680 CD2 PHE A 42 4.218 -4.414 -1.375 1.00 0.00 C ATOM 681 CE1 PHE A 42 3.219 -1.814 -1.099 1.00 0.00 C ATOM 682 CE2 PHE A 42 2.863 -4.210 -1.090 1.00 0.00 C ATOM 683 CZ PHE A 42 2.364 -2.908 -0.956 1.00 0.00 C ATOM 0 H PHE A 42 8.790 -2.650 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 42 7.001 -3.911 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.776 -4.607 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.133 -3.022 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.238 -1.171 -1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.601 -5.418 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.833 -0.810 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.202 -5.056 -0.973 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.317 -2.751 -0.742 1.00 0.00 H new ATOM 693 N PHE A 43 6.108 -0.801 -3.216 1.00 0.00 N ATOM 694 CA PHE A 43 5.204 0.268 -3.746 1.00 0.00 C ATOM 695 C PHE A 43 5.716 0.823 -5.081 1.00 0.00 C ATOM 696 O PHE A 43 4.996 0.894 -6.057 1.00 0.00 O ATOM 697 CB PHE A 43 5.177 1.383 -2.716 1.00 0.00 C ATOM 698 CG PHE A 43 4.383 2.567 -3.209 1.00 0.00 C ATOM 699 CD1 PHE A 43 4.912 3.435 -4.166 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.128 2.820 -2.664 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.176 4.548 -4.573 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.395 3.932 -3.071 1.00 0.00 C ATOM 703 CZ PHE A 43 2.919 4.799 -4.025 1.00 0.00 C ATOM 0 H PHE A 43 6.691 -0.525 -2.426 1.00 0.00 H new ATOM 0 HA PHE A 43 4.210 -0.145 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.743 1.013 -1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.196 1.695 -2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.887 3.246 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.720 2.150 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.582 5.218 -5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.420 4.121 -2.646 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.354 5.664 -4.340 1.00 0.00 H new ATOM 713 N GLU A 44 6.954 1.212 -5.126 1.00 0.00 N ATOM 714 CA GLU A 44 7.514 1.761 -6.397 1.00 0.00 C ATOM 715 C GLU A 44 7.267 0.752 -7.523 1.00 0.00 C ATOM 716 O GLU A 44 6.909 1.110 -8.628 1.00 0.00 O ATOM 717 CB GLU A 44 9.018 2.004 -6.252 1.00 0.00 C ATOM 718 CG GLU A 44 9.268 3.072 -5.180 1.00 0.00 C ATOM 719 CD GLU A 44 9.111 4.462 -5.798 1.00 0.00 C ATOM 720 OE1 GLU A 44 8.001 4.801 -6.175 1.00 0.00 O ATOM 721 OE2 GLU A 44 10.105 5.167 -5.886 1.00 0.00 O ATOM 0 H GLU A 44 7.606 1.176 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 44 7.026 2.708 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.521 1.076 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.438 2.326 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.565 2.947 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.269 2.958 -4.765 1.00 0.00 H new ATOM 728 N GLU A 45 7.465 -0.506 -7.245 1.00 0.00 N ATOM 729 CA GLU A 45 7.258 -1.560 -8.271 1.00 0.00 C ATOM 730 C GLU A 45 5.773 -1.729 -8.587 1.00 0.00 C ATOM 731 O GLU A 45 5.401 -2.119 -9.674 1.00 0.00 O ATOM 732 CB GLU A 45 7.761 -2.885 -7.704 1.00 0.00 C ATOM 733 CG GLU A 45 8.181 -3.807 -8.842 1.00 0.00 C ATOM 734 CD GLU A 45 6.958 -4.182 -9.682 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.147 -4.956 -9.200 1.00 0.00 O ATOM 736 OE2 GLU A 45 6.852 -3.689 -10.792 1.00 0.00 O ATOM 0 H GLU A 45 7.767 -0.852 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 45 7.791 -1.275 -9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.604 -2.709 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.978 -3.358 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.925 -3.313 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.648 -4.706 -8.440 1.00 0.00 H new ATOM 743 N ILE A 46 4.924 -1.479 -7.633 1.00 0.00 N ATOM 744 CA ILE A 46 3.469 -1.675 -7.869 1.00 0.00 C ATOM 745 C ILE A 46 2.806 -0.357 -8.276 1.00 0.00 C ATOM 746 O ILE A 46 1.810 -0.351 -8.970 1.00 0.00 O ATOM 747 CB ILE A 46 2.838 -2.233 -6.586 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.909 -3.401 -6.929 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.042 -1.150 -5.880 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.734 -4.655 -7.248 1.00 0.00 C ATOM 0 H ILE A 46 5.174 -1.148 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 46 3.319 -2.381 -8.686 1.00 0.00 H new ATOM 0 HB ILE A 46 3.634 -2.581 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.239 -3.600 -6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.284 -3.140 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.599 -1.558 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.703 -0.323 -5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.252 -0.791 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.064 -5.480 -7.491 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.386 -4.455 -8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.339 -4.922 -6.382 1.00 0.00 H new ATOM 762 N ASP A 47 3.355 0.762 -7.890 1.00 0.00 N ATOM 763 CA ASP A 47 2.740 2.047 -8.314 1.00 0.00 C ATOM 764 C ASP A 47 3.040 2.197 -9.797 1.00 0.00 C ATOM 765 O ASP A 47 3.884 2.975 -10.197 1.00 0.00 O ATOM 766 CB ASP A 47 3.366 3.210 -7.535 1.00 0.00 C ATOM 767 CG ASP A 47 2.980 4.536 -8.195 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.863 4.633 -8.677 1.00 0.00 O ATOM 769 OD2 ASP A 47 3.807 5.432 -8.207 1.00 0.00 O ATOM 0 H ASP A 47 4.189 0.841 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 47 1.667 2.055 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.024 3.194 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.451 3.105 -7.514 1.00 0.00 H new ATOM 774 N VAL A 48 2.397 1.416 -10.618 1.00 0.00 N ATOM 775 CA VAL A 48 2.665 1.438 -12.089 1.00 0.00 C ATOM 776 C VAL A 48 2.053 2.631 -12.794 1.00 0.00 C ATOM 777 O VAL A 48 2.464 3.004 -13.875 1.00 0.00 O ATOM 778 CB VAL A 48 1.969 0.222 -12.686 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.467 0.293 -12.372 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.147 0.229 -14.205 1.00 0.00 C ATOM 0 H VAL A 48 1.682 0.749 -10.329 1.00 0.00 H new ATOM 0 HA VAL A 48 3.747 1.465 -12.220 1.00 0.00 H new ATOM 0 HB VAL A 48 2.401 -0.685 -12.262 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.035 -0.576 -12.798 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.321 0.303 -11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.048 1.202 -12.803 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.649 -0.641 -14.634 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.710 1.138 -14.618 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.209 0.195 -14.447 1.00 0.00 H new ATOM 790 N ASP A 49 1.036 3.182 -12.248 1.00 0.00 N ATOM 791 CA ASP A 49 0.358 4.289 -12.953 1.00 0.00 C ATOM 792 C ASP A 49 1.190 5.548 -12.811 1.00 0.00 C ATOM 793 O ASP A 49 1.028 6.504 -13.543 1.00 0.00 O ATOM 794 CB ASP A 49 -1.044 4.443 -12.370 1.00 0.00 C ATOM 795 CG ASP A 49 -1.265 5.868 -11.859 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.928 6.121 -10.715 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.767 6.680 -12.620 1.00 0.00 O ATOM 0 H ASP A 49 0.637 2.922 -11.346 1.00 0.00 H new ATOM 0 HA ASP A 49 0.258 4.085 -14.019 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.787 4.205 -13.131 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.184 3.733 -11.555 1.00 0.00 H new ATOM 802 N GLY A 50 2.115 5.539 -11.905 1.00 0.00 N ATOM 803 CA GLY A 50 3.006 6.701 -11.737 1.00 0.00 C ATOM 804 C GLY A 50 2.274 7.895 -11.122 1.00 0.00 C ATOM 805 O GLY A 50 2.816 8.979 -11.041 1.00 0.00 O ATOM 0 H GLY A 50 2.292 4.764 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.848 6.425 -11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.417 6.986 -12.705 1.00 0.00 H new ATOM 809 N ASN A 51 1.071 7.717 -10.653 1.00 0.00 N ATOM 810 CA ASN A 51 0.371 8.865 -10.018 1.00 0.00 C ATOM 811 C ASN A 51 0.907 8.976 -8.599 1.00 0.00 C ATOM 812 O ASN A 51 0.481 9.799 -7.814 1.00 0.00 O ATOM 813 CB ASN A 51 -1.142 8.624 -9.986 1.00 0.00 C ATOM 814 CG ASN A 51 -1.857 9.921 -9.611 1.00 0.00 C ATOM 815 OD1 ASN A 51 -2.362 10.618 -10.467 1.00 0.00 O ATOM 816 ND2 ASN A 51 -1.922 10.280 -8.361 1.00 0.00 N ATOM 0 H ASN A 51 0.550 6.841 -10.681 1.00 0.00 H new ATOM 0 HA ASN A 51 0.547 9.781 -10.582 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.486 8.275 -10.960 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.381 7.843 -9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.397 11.145 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.498 9.696 -7.640 1.00 0.00 H new ATOM 823 N GLY A 52 1.853 8.136 -8.277 1.00 0.00 N ATOM 824 CA GLY A 52 2.449 8.161 -6.919 1.00 0.00 C ATOM 825 C GLY A 52 1.497 7.490 -5.932 1.00 0.00 C ATOM 826 O GLY A 52 1.522 7.770 -4.750 1.00 0.00 O ATOM 0 H GLY A 52 2.239 7.430 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.409 7.645 -6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.641 9.190 -6.613 1.00 0.00 H new ATOM 830 N GLU A 53 0.638 6.624 -6.405 1.00 0.00 N ATOM 831 CA GLU A 53 -0.327 5.963 -5.476 1.00 0.00 C ATOM 832 C GLU A 53 -0.627 4.536 -5.920 1.00 0.00 C ATOM 833 O GLU A 53 -0.495 4.185 -7.076 1.00 0.00 O ATOM 834 CB GLU A 53 -1.644 6.769 -5.449 1.00 0.00 C ATOM 835 CG GLU A 53 -1.384 8.210 -5.888 1.00 0.00 C ATOM 836 CD GLU A 53 -2.692 9.002 -5.831 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.566 8.724 -6.635 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.798 9.871 -4.982 1.00 0.00 O ATOM 0 H GLU A 53 0.563 6.348 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 53 0.121 5.932 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.377 6.306 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.067 6.757 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.639 8.671 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.980 8.226 -6.900 1.00 0.00 H new ATOM 845 N LEU A 54 -1.058 3.719 -4.994 1.00 0.00 N ATOM 846 CA LEU A 54 -1.400 2.327 -5.332 1.00 0.00 C ATOM 847 C LEU A 54 -2.775 2.314 -5.962 1.00 0.00 C ATOM 848 O LEU A 54 -3.696 2.917 -5.464 1.00 0.00 O ATOM 849 CB LEU A 54 -1.495 1.519 -4.050 1.00 0.00 C ATOM 850 CG LEU A 54 -0.142 1.349 -3.365 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.042 1.547 -4.331 1.00 0.00 C ATOM 852 CD2 LEU A 54 -0.103 2.340 -2.229 1.00 0.00 C ATOM 0 H LEU A 54 -1.185 3.969 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.646 1.915 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.186 2.010 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.912 0.537 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.037 0.328 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.979 1.415 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.981 0.815 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.005 2.552 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.850 2.257 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.213 3.350 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.917 2.131 -1.535 1.00 0.00 H new ATOM 864 N ASN A 55 -2.929 1.621 -7.040 1.00 0.00 N ATOM 865 CA ASN A 55 -4.271 1.559 -7.688 1.00 0.00 C ATOM 866 C ASN A 55 -5.000 0.322 -7.178 1.00 0.00 C ATOM 867 O ASN A 55 -4.484 -0.420 -6.369 1.00 0.00 O ATOM 868 CB ASN A 55 -4.147 1.481 -9.213 1.00 0.00 C ATOM 869 CG ASN A 55 -2.689 1.274 -9.609 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.811 1.971 -9.141 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.393 0.335 -10.461 1.00 0.00 N ATOM 0 H ASN A 55 -2.192 1.093 -7.507 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.825 2.464 -7.439 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.756 0.661 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.528 2.397 -9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.423 0.184 -10.736 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.131 -0.249 -10.853 1.00 0.00 H new ATOM 878 N ALA A 56 -6.195 0.096 -7.648 1.00 0.00 N ATOM 879 CA ALA A 56 -6.979 -1.085 -7.181 1.00 0.00 C ATOM 880 C ALA A 56 -6.320 -2.407 -7.634 1.00 0.00 C ATOM 881 O ALA A 56 -5.945 -3.233 -6.812 1.00 0.00 O ATOM 882 CB ALA A 56 -8.407 -0.948 -7.717 1.00 0.00 C ATOM 0 H ALA A 56 -6.666 0.680 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.001 -1.114 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.002 -1.800 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.851 -0.028 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.385 -0.918 -8.806 1.00 0.00 H new ATOM 888 N ASP A 57 -6.171 -2.650 -8.906 1.00 0.00 N ATOM 889 CA ASP A 57 -5.542 -3.937 -9.326 1.00 0.00 C ATOM 890 C ASP A 57 -4.150 -4.062 -8.700 1.00 0.00 C ATOM 891 O ASP A 57 -3.779 -5.098 -8.183 1.00 0.00 O ATOM 892 CB ASP A 57 -5.420 -3.969 -10.850 1.00 0.00 C ATOM 893 CG ASP A 57 -5.050 -5.382 -11.304 1.00 0.00 C ATOM 894 OD1 ASP A 57 -4.008 -5.863 -10.890 1.00 0.00 O ATOM 895 OD2 ASP A 57 -5.815 -5.959 -12.061 1.00 0.00 O ATOM 0 H ASP A 57 -6.451 -2.027 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.163 -4.768 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.361 -3.664 -11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.661 -3.260 -11.179 1.00 0.00 H new ATOM 900 N GLU A 58 -3.380 -3.015 -8.749 1.00 0.00 N ATOM 901 CA GLU A 58 -2.013 -3.069 -8.161 1.00 0.00 C ATOM 902 C GLU A 58 -2.144 -3.181 -6.645 1.00 0.00 C ATOM 903 O GLU A 58 -1.307 -3.750 -5.974 1.00 0.00 O ATOM 904 CB GLU A 58 -1.221 -1.806 -8.533 1.00 0.00 C ATOM 905 CG GLU A 58 -0.725 -1.882 -9.983 1.00 0.00 C ATOM 906 CD GLU A 58 0.063 -3.174 -10.221 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.554 -4.165 -10.578 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.270 -3.147 -10.056 1.00 0.00 O ATOM 0 H GLU A 58 -3.637 -2.122 -9.171 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.476 -3.932 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.851 -0.925 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.372 -1.692 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.574 -1.837 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.094 -1.020 -10.202 1.00 0.00 H new ATOM 915 N PHE A 59 -3.201 -2.645 -6.109 1.00 0.00 N ATOM 916 CA PHE A 59 -3.420 -2.712 -4.641 1.00 0.00 C ATOM 917 C PHE A 59 -3.368 -4.169 -4.183 1.00 0.00 C ATOM 918 O PHE A 59 -2.784 -4.497 -3.171 1.00 0.00 O ATOM 919 CB PHE A 59 -4.832 -2.217 -4.335 1.00 0.00 C ATOM 920 CG PHE A 59 -4.827 -0.840 -3.755 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.027 -0.538 -2.657 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.644 0.136 -4.315 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.048 0.747 -2.136 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.661 1.407 -3.801 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.869 1.722 -2.716 1.00 0.00 C ATOM 0 H PHE A 59 -3.930 -2.158 -6.631 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.659 -2.113 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.425 -2.223 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.314 -2.903 -3.638 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.397 -1.296 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.270 -0.109 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.432 0.995 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.294 2.161 -4.245 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.882 2.724 -2.313 1.00 0.00 H new ATOM 935 N THR A 60 -3.996 -5.044 -4.920 1.00 0.00 N ATOM 936 CA THR A 60 -4.013 -6.481 -4.518 1.00 0.00 C ATOM 937 C THR A 60 -2.702 -7.151 -4.886 1.00 0.00 C ATOM 938 O THR A 60 -2.123 -7.873 -4.102 1.00 0.00 O ATOM 939 CB THR A 60 -5.163 -7.182 -5.232 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.710 -7.686 -6.481 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.284 -6.175 -5.457 1.00 0.00 C ATOM 0 H THR A 60 -4.497 -4.828 -5.782 1.00 0.00 H new ATOM 0 HA THR A 60 -4.146 -6.549 -3.438 1.00 0.00 H new ATOM 0 HB THR A 60 -5.529 -8.012 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.449 -8.138 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.114 -6.663 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.625 -5.789 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.916 -5.351 -6.069 1.00 0.00 H new ATOM 949 N SER A 61 -2.218 -6.919 -6.065 1.00 0.00 N ATOM 950 CA SER A 61 -0.938 -7.549 -6.457 1.00 0.00 C ATOM 951 C SER A 61 0.108 -7.232 -5.393 1.00 0.00 C ATOM 952 O SER A 61 0.997 -8.024 -5.095 1.00 0.00 O ATOM 953 CB SER A 61 -0.475 -6.954 -7.790 1.00 0.00 C ATOM 954 OG SER A 61 0.588 -7.740 -8.313 1.00 0.00 O ATOM 0 H SER A 61 -2.650 -6.324 -6.771 1.00 0.00 H new ATOM 0 HA SER A 61 -1.068 -8.627 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.304 -6.927 -8.497 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.145 -5.925 -7.647 1.00 0.00 H new ATOM 0 HG SER A 61 0.885 -7.362 -9.167 1.00 0.00 H new ATOM 960 N CYS A 62 -0.003 -6.096 -4.773 1.00 0.00 N ATOM 961 CA CYS A 62 0.989 -5.752 -3.728 1.00 0.00 C ATOM 962 C CYS A 62 0.680 -6.534 -2.465 1.00 0.00 C ATOM 963 O CYS A 62 1.540 -7.165 -1.886 1.00 0.00 O ATOM 964 CB CYS A 62 0.928 -4.248 -3.452 1.00 0.00 C ATOM 965 SG CYS A 62 2.556 -3.523 -3.768 1.00 0.00 S ATOM 0 H CYS A 62 -0.728 -5.399 -4.942 1.00 0.00 H new ATOM 0 HA CYS A 62 1.993 -6.010 -4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.177 -3.779 -4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.629 -4.067 -2.420 1.00 0.00 H new ATOM 0 HG CYS A 62 3.176 -3.341 -2.640 1.00 0.00 H new ATOM 971 N ILE A 63 -0.538 -6.493 -2.027 1.00 0.00 N ATOM 972 CA ILE A 63 -0.883 -7.233 -0.798 1.00 0.00 C ATOM 973 C ILE A 63 -0.576 -8.706 -0.993 1.00 0.00 C ATOM 974 O ILE A 63 0.012 -9.324 -0.129 1.00 0.00 O ATOM 975 CB ILE A 63 -2.352 -7.005 -0.453 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.570 -5.524 -0.104 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.741 -7.870 0.744 1.00 0.00 C ATOM 978 CD1 ILE A 63 -1.422 -5.013 0.766 1.00 0.00 C ATOM 0 H ILE A 63 -1.305 -5.982 -2.465 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.285 -6.870 0.038 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.970 -7.275 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.635 -4.933 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.517 -5.402 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.791 -7.704 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.587 -8.921 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.123 -7.603 1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.587 -3.963 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.377 -5.594 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.481 -5.117 0.225 1.00 0.00 H new