USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 656 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 17 LYS NZ :NH3+ -171:sc= 0.127 (180deg=-0.125) USER MOD Set 1.2: A 88 THR OG1 : rot 140:sc= -1.91! USER MOD Set 2.1: A 77 THR OG1 : rot -112:sc= 0.484 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.371 K(o=0.11,f=-6.6!) USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.4) USER MOD Single : A 60 GLN : amide:sc= -0.846 K(o=-0.85,f=-1.7) USER MOD Single : A 62 ASN : amide:sc= -3.03! C(o=-3!,f=-3.3!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.6!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.145 F(o=-0.83,f=-0.15) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.483 4.338 7.311 1.00 0.00 N ATOM 86 CA GLU A 9 -9.863 4.629 8.592 1.00 0.00 C ATOM 87 C GLU A 9 -8.347 4.752 8.433 1.00 0.00 C ATOM 88 O GLU A 9 -7.635 3.749 8.433 1.00 0.00 O ATOM 89 CB GLU A 9 -10.221 3.562 9.629 1.00 0.00 C ATOM 90 CG GLU A 9 -9.052 3.313 10.585 1.00 0.00 C ATOM 91 CD GLU A 9 -9.548 2.765 11.925 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.196 1.697 11.897 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.267 3.428 12.947 1.00 0.00 O ATOM 0 HA GLU A 9 -10.249 5.583 8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.097 3.879 10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.487 2.633 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.354 2.607 10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.506 4.242 10.748 1.00 0.00 H new ATOM 100 N LEU A 10 -7.897 5.991 8.301 1.00 0.00 N ATOM 101 CA LEU A 10 -6.477 6.259 8.141 1.00 0.00 C ATOM 102 C LEU A 10 -5.860 6.548 9.510 1.00 0.00 C ATOM 103 O LEU A 10 -6.146 7.577 10.120 1.00 0.00 O ATOM 104 CB LEU A 10 -6.254 7.375 7.118 1.00 0.00 C ATOM 105 CG LEU A 10 -6.938 7.188 5.762 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.584 5.830 5.152 1.00 0.00 C ATOM 107 CD2 LEU A 10 -8.451 7.387 5.879 1.00 0.00 C ATOM 0 H LEU A 10 -8.490 6.821 8.302 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.967 5.383 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.601 8.313 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.182 7.479 6.951 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.564 7.954 5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.083 5.723 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.505 5.765 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.911 5.034 5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.913 7.249 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.860 6.660 6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.659 8.395 6.239 1.00 0.00 H new ATOM 119 N PHE A 11 -5.024 5.621 9.955 1.00 0.00 N ATOM 120 CA PHE A 11 -4.363 5.764 11.241 1.00 0.00 C ATOM 121 C PHE A 11 -2.873 5.437 11.131 1.00 0.00 C ATOM 122 O PHE A 11 -2.495 4.438 10.522 1.00 0.00 O ATOM 123 CB PHE A 11 -5.023 4.766 12.195 1.00 0.00 C ATOM 124 CG PHE A 11 -5.018 3.323 11.687 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.917 2.930 10.745 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.115 2.432 12.178 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.912 1.591 10.274 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.110 1.093 11.706 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.009 0.700 10.764 1.00 0.00 C ATOM 0 H PHE A 11 -4.789 4.768 9.448 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.457 6.790 11.596 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.510 4.804 13.156 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.053 5.075 12.371 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.635 3.637 10.355 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.402 2.743 12.927 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.626 1.280 9.526 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.392 0.386 12.095 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.006 -0.319 10.405 1.00 0.00 H new ATOM 139 N PRO A 12 -2.043 6.323 11.746 1.00 0.00 N ATOM 140 CA PRO A 12 -0.602 6.139 11.723 1.00 0.00 C ATOM 141 C PRO A 12 -0.177 5.023 12.680 1.00 0.00 C ATOM 142 O PRO A 12 -0.595 4.998 13.836 1.00 0.00 O ATOM 143 CB PRO A 12 -0.027 7.494 12.099 1.00 0.00 C ATOM 144 CG PRO A 12 -1.159 8.257 12.768 1.00 0.00 C ATOM 145 CD PRO A 12 -2.454 7.518 12.477 1.00 0.00 C ATOM 0 HA PRO A 12 -0.234 5.821 10.748 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.822 7.384 12.774 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.333 8.024 11.217 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.991 8.324 13.843 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.208 9.278 12.388 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.977 7.259 13.397 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.135 8.130 11.885 1.00 0.00 H new ATOM 153 N VAL A 13 0.650 4.126 12.162 1.00 0.00 N ATOM 154 CA VAL A 13 1.137 3.011 12.955 1.00 0.00 C ATOM 155 C VAL A 13 2.665 3.053 13.003 1.00 0.00 C ATOM 156 O VAL A 13 3.320 3.144 11.966 1.00 0.00 O ATOM 157 CB VAL A 13 0.592 1.694 12.396 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.394 0.502 12.923 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.896 1.537 12.714 1.00 0.00 C ATOM 0 H VAL A 13 0.995 4.149 11.202 1.00 0.00 H new ATOM 0 HA VAL A 13 0.778 3.087 13.981 1.00 0.00 H new ATOM 0 HB VAL A 13 0.702 1.719 11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.987 -0.421 12.511 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.437 0.604 12.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.330 0.473 14.011 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.258 0.593 12.306 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.040 1.544 13.794 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.452 2.362 12.269 1.00 0.00 H new ATOM 169 N GLU A 14 3.189 2.986 14.218 1.00 0.00 N ATOM 170 CA GLU A 14 4.629 3.015 14.415 1.00 0.00 C ATOM 171 C GLU A 14 5.209 1.604 14.302 1.00 0.00 C ATOM 172 O GLU A 14 4.567 0.631 14.695 1.00 0.00 O ATOM 173 CB GLU A 14 4.985 3.648 15.762 1.00 0.00 C ATOM 174 CG GLU A 14 4.595 5.127 15.793 1.00 0.00 C ATOM 175 CD GLU A 14 4.076 5.529 17.175 1.00 0.00 C ATOM 176 OE1 GLU A 14 4.834 5.322 18.148 1.00 0.00 O ATOM 177 OE2 GLU A 14 2.933 6.033 17.228 1.00 0.00 O ATOM 0 H GLU A 14 2.643 2.912 15.076 1.00 0.00 H new ATOM 0 HA GLU A 14 5.071 3.632 13.632 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.473 3.116 16.564 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.055 3.546 15.944 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.458 5.740 15.532 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.829 5.320 15.042 1.00 0.00 H new ATOM 184 N LEU A 15 6.418 1.537 13.763 1.00 0.00 N ATOM 185 CA LEU A 15 7.092 0.262 13.593 1.00 0.00 C ATOM 186 C LEU A 15 8.605 0.475 13.673 1.00 0.00 C ATOM 187 O LEU A 15 9.135 1.416 13.085 1.00 0.00 O ATOM 188 CB LEU A 15 6.634 -0.418 12.301 1.00 0.00 C ATOM 189 CG LEU A 15 5.621 -1.553 12.462 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.322 -2.217 11.117 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.094 -2.565 13.508 1.00 0.00 C ATOM 0 H LEU A 15 6.948 2.346 13.438 1.00 0.00 H new ATOM 0 HA LEU A 15 6.823 -0.421 14.398 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.200 0.340 11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.513 -0.812 11.790 1.00 0.00 H new ATOM 0 HG LEU A 15 4.686 -1.127 12.825 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.599 -3.020 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.911 -1.478 10.430 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.242 -2.627 10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.356 -3.362 13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.049 -2.990 13.198 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.215 -2.065 14.469 1.00 0.00 H new ATOM 203 N GLU A 16 9.257 -0.416 14.405 1.00 0.00 N ATOM 204 CA GLU A 16 10.699 -0.337 14.570 1.00 0.00 C ATOM 205 C GLU A 16 11.390 -1.397 13.710 1.00 0.00 C ATOM 206 O GLU A 16 11.109 -2.587 13.839 1.00 0.00 O ATOM 207 CB GLU A 16 11.091 -0.485 16.042 1.00 0.00 C ATOM 208 CG GLU A 16 11.570 0.849 16.618 1.00 0.00 C ATOM 209 CD GLU A 16 12.499 0.628 17.813 1.00 0.00 C ATOM 210 OE1 GLU A 16 13.503 -0.093 17.626 1.00 0.00 O ATOM 211 OE2 GLU A 16 12.185 1.186 18.887 1.00 0.00 O ATOM 0 H GLU A 16 8.814 -1.196 14.890 1.00 0.00 H new ATOM 0 HA GLU A 16 11.030 0.646 14.237 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.237 -0.847 16.615 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.880 -1.231 16.139 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.092 1.416 15.847 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.711 1.446 16.926 1.00 0.00 H new ATOM 218 N LYS A 17 12.282 -0.926 12.850 1.00 0.00 N ATOM 219 CA LYS A 17 13.015 -1.818 11.968 1.00 0.00 C ATOM 220 C LYS A 17 13.752 -2.864 12.807 1.00 0.00 C ATOM 221 O LYS A 17 14.153 -2.589 13.937 1.00 0.00 O ATOM 222 CB LYS A 17 13.930 -1.018 11.038 1.00 0.00 C ATOM 223 CG LYS A 17 13.175 -0.554 9.791 1.00 0.00 C ATOM 224 CD LYS A 17 14.131 0.065 8.770 1.00 0.00 C ATOM 225 CE LYS A 17 13.512 0.067 7.371 1.00 0.00 C ATOM 226 NZ LYS A 17 14.424 0.715 6.402 1.00 0.00 N ATOM 0 H LYS A 17 12.513 0.062 12.746 1.00 0.00 H new ATOM 0 HA LYS A 17 12.329 -2.358 11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.328 -0.153 11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.782 -1.631 10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.654 -1.399 9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.415 0.175 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.374 1.086 9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.067 -0.494 8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.305 -0.956 7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.558 0.594 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.931 0.846 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.722 1.641 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.261 0.115 6.258 1.00 0.00 H new ATOM 240 N ASP A 18 13.910 -4.041 12.221 1.00 0.00 N ATOM 241 CA ASP A 18 14.592 -5.130 12.899 1.00 0.00 C ATOM 242 C ASP A 18 15.744 -5.628 12.025 1.00 0.00 C ATOM 243 O ASP A 18 15.925 -5.158 10.903 1.00 0.00 O ATOM 244 CB ASP A 18 13.644 -6.305 13.146 1.00 0.00 C ATOM 245 CG ASP A 18 12.309 -5.934 13.797 1.00 0.00 C ATOM 246 OD1 ASP A 18 12.181 -4.756 14.195 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.448 -6.836 13.880 1.00 0.00 O ATOM 0 H ASP A 18 13.577 -4.265 11.283 1.00 0.00 H new ATOM 0 HA ASP A 18 14.958 -4.755 13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.443 -6.796 12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.150 -7.033 13.780 1.00 0.00 H new ATOM 252 N GLU A 19 16.494 -6.574 12.572 1.00 0.00 N ATOM 253 CA GLU A 19 17.624 -7.141 11.856 1.00 0.00 C ATOM 254 C GLU A 19 17.277 -7.325 10.377 1.00 0.00 C ATOM 255 O GLU A 19 18.155 -7.266 9.517 1.00 0.00 O ATOM 256 CB GLU A 19 18.063 -8.465 12.485 1.00 0.00 C ATOM 257 CG GLU A 19 17.074 -9.584 12.154 1.00 0.00 C ATOM 258 CD GLU A 19 16.975 -10.586 13.306 1.00 0.00 C ATOM 259 OE1 GLU A 19 16.707 -10.126 14.437 1.00 0.00 O ATOM 260 OE2 GLU A 19 17.170 -11.789 13.030 1.00 0.00 O ATOM 0 H GLU A 19 16.341 -6.962 13.503 1.00 0.00 H new ATOM 0 HA GLU A 19 18.461 -6.447 11.929 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.055 -8.733 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.139 -8.350 13.566 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.091 -9.158 11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.391 -10.098 11.246 1.00 0.00 H new ATOM 267 N ASP A 20 15.994 -7.545 10.126 1.00 0.00 N ATOM 268 CA ASP A 20 15.520 -7.739 8.766 1.00 0.00 C ATOM 269 C ASP A 20 14.521 -6.634 8.417 1.00 0.00 C ATOM 270 O ASP A 20 13.417 -6.914 7.954 1.00 0.00 O ATOM 271 CB ASP A 20 14.808 -9.084 8.617 1.00 0.00 C ATOM 272 CG ASP A 20 14.615 -9.558 7.175 1.00 0.00 C ATOM 273 OD1 ASP A 20 15.425 -9.130 6.324 1.00 0.00 O ATOM 274 OD2 ASP A 20 13.662 -10.337 6.956 1.00 0.00 O ATOM 0 H ASP A 20 15.269 -7.593 10.841 1.00 0.00 H new ATOM 0 HA ASP A 20 16.383 -7.713 8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.376 -9.840 9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.831 -9.015 9.095 1.00 0.00 H new ATOM 279 N GLY A 21 14.945 -5.401 8.652 1.00 0.00 N ATOM 280 CA GLY A 21 14.101 -4.252 8.368 1.00 0.00 C ATOM 281 C GLY A 21 12.738 -4.392 9.048 1.00 0.00 C ATOM 282 O GLY A 21 12.656 -4.801 10.206 1.00 0.00 O ATOM 0 H GLY A 21 15.862 -5.172 9.036 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.592 -3.342 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.966 -4.153 7.291 1.00 0.00 H new ATOM 286 N LEU A 22 11.701 -4.045 8.300 1.00 0.00 N ATOM 287 CA LEU A 22 10.345 -4.127 8.816 1.00 0.00 C ATOM 288 C LEU A 22 9.904 -5.592 8.848 1.00 0.00 C ATOM 289 O LEU A 22 9.461 -6.088 9.883 1.00 0.00 O ATOM 290 CB LEU A 22 9.410 -3.221 8.013 1.00 0.00 C ATOM 291 CG LEU A 22 9.961 -1.839 7.654 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.323 -1.312 6.367 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.792 -0.862 8.819 1.00 0.00 C ATOM 0 H LEU A 22 11.772 -3.706 7.341 1.00 0.00 H new ATOM 0 HA LEU A 22 10.305 -3.759 9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.143 -3.735 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.490 -3.087 8.581 1.00 0.00 H new ATOM 0 HG LEU A 22 11.031 -1.936 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.732 -0.329 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.538 -1.998 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.244 -1.234 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.192 0.112 8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.734 -0.764 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.330 -1.237 9.689 1.00 0.00 H new ATOM 305 N GLY A 23 10.040 -6.243 7.702 1.00 0.00 N ATOM 306 CA GLY A 23 9.660 -7.641 7.586 1.00 0.00 C ATOM 307 C GLY A 23 8.206 -7.778 7.133 1.00 0.00 C ATOM 308 O GLY A 23 7.432 -8.521 7.734 1.00 0.00 O ATOM 0 H GLY A 23 10.408 -5.828 6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.315 -8.142 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.794 -8.139 8.546 1.00 0.00 H new ATOM 312 N ILE A 24 7.877 -7.050 6.075 1.00 0.00 N ATOM 313 CA ILE A 24 6.529 -7.082 5.534 1.00 0.00 C ATOM 314 C ILE A 24 6.598 -7.109 4.006 1.00 0.00 C ATOM 315 O ILE A 24 7.562 -6.624 3.416 1.00 0.00 O ATOM 316 CB ILE A 24 5.701 -5.923 6.092 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.590 -4.721 6.419 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.875 -6.370 7.299 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.825 -3.408 6.241 1.00 0.00 C ATOM 0 H ILE A 24 8.521 -6.435 5.578 1.00 0.00 H new ATOM 0 HA ILE A 24 6.014 -7.991 5.846 1.00 0.00 H new ATOM 0 HB ILE A 24 4.999 -5.604 5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.951 -4.799 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.467 -4.726 5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.296 -5.527 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.198 -7.170 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.541 -6.732 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.480 -2.570 6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.487 -3.321 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.963 -3.396 6.908 1.00 0.00 H new ATOM 331 N SER A 25 5.563 -7.683 3.409 1.00 0.00 N ATOM 332 CA SER A 25 5.494 -7.780 1.961 1.00 0.00 C ATOM 333 C SER A 25 4.420 -6.833 1.424 1.00 0.00 C ATOM 334 O SER A 25 3.355 -6.692 2.023 1.00 0.00 O ATOM 335 CB SER A 25 5.206 -9.216 1.519 1.00 0.00 C ATOM 336 OG SER A 25 5.965 -10.166 2.261 1.00 0.00 O ATOM 0 H SER A 25 4.766 -8.085 3.902 1.00 0.00 H new ATOM 0 HA SER A 25 6.462 -7.490 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.143 -9.426 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.432 -9.321 0.458 1.00 0.00 H new ATOM 0 HG SER A 25 5.875 -11.050 1.849 1.00 0.00 H new ATOM 342 N ILE A 26 4.736 -6.208 0.299 1.00 0.00 N ATOM 343 CA ILE A 26 3.811 -5.278 -0.326 1.00 0.00 C ATOM 344 C ILE A 26 3.395 -5.821 -1.695 1.00 0.00 C ATOM 345 O ILE A 26 4.097 -6.645 -2.278 1.00 0.00 O ATOM 346 CB ILE A 26 4.416 -3.874 -0.379 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.729 -3.872 -1.165 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.590 -3.298 1.028 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.754 -2.734 -2.188 1.00 0.00 C ATOM 0 H ILE A 26 5.620 -6.328 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 26 2.903 -5.186 0.270 1.00 0.00 H new ATOM 0 HB ILE A 26 3.721 -3.223 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.568 -3.766 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.853 -4.827 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.022 -2.299 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.619 -3.242 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.253 -3.942 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.698 -2.755 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.928 -2.856 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.654 -1.779 -1.672 1.00 0.00 H new ATOM 361 N ILE A 27 2.257 -5.336 -2.167 1.00 0.00 N ATOM 362 CA ILE A 27 1.739 -5.762 -3.457 1.00 0.00 C ATOM 363 C ILE A 27 1.250 -4.539 -4.235 1.00 0.00 C ATOM 364 O ILE A 27 0.574 -3.675 -3.679 1.00 0.00 O ATOM 365 CB ILE A 27 0.672 -6.843 -3.275 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.227 -6.939 -4.509 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.134 -6.608 -1.996 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.757 -8.362 -4.692 1.00 0.00 C ATOM 0 H ILE A 27 1.678 -4.652 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 27 2.528 -6.223 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 27 1.175 -7.804 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.062 -6.246 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.332 -6.639 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.886 -7.390 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.535 -6.629 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.626 -5.637 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.393 -8.402 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.080 -9.049 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.336 -8.650 -3.815 1.00 0.00 H new ATOM 380 N GLY A 28 1.612 -4.505 -5.509 1.00 0.00 N ATOM 381 CA GLY A 28 1.218 -3.402 -6.369 1.00 0.00 C ATOM 382 C GLY A 28 -0.058 -3.738 -7.142 1.00 0.00 C ATOM 383 O GLY A 28 -0.034 -4.554 -8.063 1.00 0.00 O ATOM 0 H GLY A 28 2.174 -5.223 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.058 -2.507 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.023 -3.177 -7.069 1.00 0.00 H new ATOM 387 N MET A 29 -1.143 -3.093 -6.740 1.00 0.00 N ATOM 388 CA MET A 29 -2.427 -3.313 -7.383 1.00 0.00 C ATOM 389 C MET A 29 -3.069 -1.987 -7.794 1.00 0.00 C ATOM 390 O MET A 29 -2.702 -0.930 -7.283 1.00 0.00 O ATOM 391 CB MET A 29 -3.359 -4.056 -6.423 1.00 0.00 C ATOM 392 CG MET A 29 -2.702 -5.336 -5.903 1.00 0.00 C ATOM 393 SD MET A 29 -3.420 -6.760 -6.705 1.00 0.00 S ATOM 394 CE MET A 29 -4.496 -7.339 -5.404 1.00 0.00 C ATOM 0 H MET A 29 -1.159 -2.417 -5.976 1.00 0.00 H new ATOM 0 HA MET A 29 -2.265 -3.910 -8.280 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.615 -3.408 -5.585 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.291 -4.302 -6.932 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.629 -5.306 -6.090 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.835 -5.410 -4.824 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.026 -8.231 -5.740 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.903 -7.580 -4.522 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.217 -6.561 -5.155 1.00 0.00 H new ATOM 404 N GLY A 30 -4.018 -2.085 -8.714 1.00 0.00 N ATOM 405 CA GLY A 30 -4.715 -0.906 -9.199 1.00 0.00 C ATOM 406 C GLY A 30 -6.088 -0.770 -8.538 1.00 0.00 C ATOM 407 O GLY A 30 -6.979 -1.583 -8.777 1.00 0.00 O ATOM 0 H GLY A 30 -4.320 -2.963 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.119 -0.017 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.833 -0.968 -10.281 1.00 0.00 H new ATOM 411 N VAL A 31 -6.216 0.265 -7.720 1.00 0.00 N ATOM 412 CA VAL A 31 -7.465 0.518 -7.023 1.00 0.00 C ATOM 413 C VAL A 31 -8.283 1.545 -7.808 1.00 0.00 C ATOM 414 O VAL A 31 -7.745 2.548 -8.274 1.00 0.00 O ATOM 415 CB VAL A 31 -7.183 0.953 -5.584 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.270 0.446 -4.634 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.798 0.486 -5.132 1.00 0.00 C ATOM 0 H VAL A 31 -5.475 0.938 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.059 -0.394 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.195 2.043 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.045 0.769 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.236 0.850 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.305 -0.643 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.622 0.808 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.745 -0.601 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.038 0.918 -5.783 1.00 0.00 H new ATOM 492 N GLU A 38 -6.560 5.935 -12.506 1.00 0.00 N ATOM 493 CA GLU A 38 -5.984 4.751 -11.891 1.00 0.00 C ATOM 494 C GLU A 38 -5.053 5.149 -10.744 1.00 0.00 C ATOM 495 O GLU A 38 -4.142 5.954 -10.931 1.00 0.00 O ATOM 496 CB GLU A 38 -5.247 3.899 -12.926 1.00 0.00 C ATOM 497 CG GLU A 38 -3.981 4.604 -13.415 1.00 0.00 C ATOM 498 CD GLU A 38 -3.369 3.867 -14.608 1.00 0.00 C ATOM 499 OE1 GLU A 38 -4.159 3.280 -15.379 1.00 0.00 O ATOM 500 OE2 GLU A 38 -2.125 3.907 -14.723 1.00 0.00 O ATOM 0 HA GLU A 38 -6.794 4.147 -11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.985 2.935 -12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.905 3.697 -13.771 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.218 5.629 -13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.254 4.658 -12.604 1.00 0.00 H new ATOM 507 N LYS A 39 -5.313 4.566 -9.583 1.00 0.00 N ATOM 508 CA LYS A 39 -4.509 4.850 -8.407 1.00 0.00 C ATOM 509 C LYS A 39 -4.019 3.534 -7.799 1.00 0.00 C ATOM 510 O LYS A 39 -4.759 2.865 -7.079 1.00 0.00 O ATOM 511 CB LYS A 39 -5.287 5.728 -7.425 1.00 0.00 C ATOM 512 CG LYS A 39 -5.263 7.194 -7.862 1.00 0.00 C ATOM 513 CD LYS A 39 -4.688 8.086 -6.759 1.00 0.00 C ATOM 514 CE LYS A 39 -5.372 9.454 -6.749 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.694 10.365 -5.800 1.00 0.00 N ATOM 0 H LYS A 39 -6.069 3.898 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.624 5.424 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.318 5.381 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.856 5.635 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.665 7.298 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.273 7.520 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.818 7.603 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.616 8.212 -6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.354 9.884 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.419 9.342 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.171 11.289 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.733 9.961 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.701 10.486 -6.084 1.00 0.00 H new ATOM 529 N LEU A 40 -2.775 3.202 -8.112 1.00 0.00 N ATOM 530 CA LEU A 40 -2.178 1.977 -7.606 1.00 0.00 C ATOM 531 C LEU A 40 -2.182 2.007 -6.077 1.00 0.00 C ATOM 532 O LEU A 40 -1.735 2.979 -5.470 1.00 0.00 O ATOM 533 CB LEU A 40 -0.789 1.768 -8.213 1.00 0.00 C ATOM 534 CG LEU A 40 -0.405 0.321 -8.527 1.00 0.00 C ATOM 535 CD1 LEU A 40 -1.250 -0.234 -9.675 1.00 0.00 C ATOM 536 CD2 LEU A 40 1.094 0.200 -8.807 1.00 0.00 C ATOM 0 H LEU A 40 -2.164 3.759 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.767 1.112 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.726 2.348 -9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.049 2.179 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.618 -0.287 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.957 -1.264 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.304 -0.205 -9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.092 0.371 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.340 -0.839 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.356 0.824 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.655 0.528 -7.932 1.00 0.00 H new ATOM 548 N GLY A 41 -2.693 0.931 -5.497 1.00 0.00 N ATOM 549 CA GLY A 41 -2.762 0.821 -4.050 1.00 0.00 C ATOM 550 C GLY A 41 -1.717 -0.165 -3.525 1.00 0.00 C ATOM 551 O GLY A 41 -1.662 -1.311 -3.968 1.00 0.00 O ATOM 0 H GLY A 41 -3.063 0.127 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.602 1.800 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.758 0.493 -3.754 1.00 0.00 H new ATOM 555 N ILE A 42 -0.914 0.316 -2.587 1.00 0.00 N ATOM 556 CA ILE A 42 0.126 -0.509 -1.997 1.00 0.00 C ATOM 557 C ILE A 42 -0.453 -1.279 -0.808 1.00 0.00 C ATOM 558 O ILE A 42 -0.594 -0.728 0.283 1.00 0.00 O ATOM 559 CB ILE A 42 1.348 0.341 -1.643 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.743 1.246 -2.811 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.511 -0.538 -1.179 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.037 0.423 -4.067 1.00 0.00 C ATOM 0 H ILE A 42 -0.963 1.267 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 42 0.479 -1.249 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 42 1.083 0.990 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.939 1.954 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.622 1.831 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.367 0.091 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.211 -1.103 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.785 -1.229 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.315 1.091 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.857 -0.267 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.148 -0.142 -4.348 1.00 0.00 H new ATOM 574 N PHE A 43 -0.773 -2.540 -1.059 1.00 0.00 N ATOM 575 CA PHE A 43 -1.334 -3.390 -0.023 1.00 0.00 C ATOM 576 C PHE A 43 -0.272 -4.335 0.544 1.00 0.00 C ATOM 577 O PHE A 43 0.781 -4.526 -0.061 1.00 0.00 O ATOM 578 CB PHE A 43 -2.441 -4.219 -0.676 1.00 0.00 C ATOM 579 CG PHE A 43 -3.542 -3.382 -1.331 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.571 -2.906 -0.580 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.491 -3.114 -2.663 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.593 -2.129 -1.188 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.512 -2.337 -3.270 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.542 -1.860 -2.520 1.00 0.00 C ATOM 0 H PHE A 43 -0.654 -2.993 -1.965 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.713 -2.779 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.997 -4.870 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.890 -4.865 0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.611 -3.119 0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.674 -3.492 -3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.411 -1.752 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.471 -2.124 -4.328 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.318 -1.268 -2.982 1.00 0.00 H new ATOM 594 N VAL A 44 -0.588 -4.902 1.699 1.00 0.00 N ATOM 595 CA VAL A 44 0.326 -5.823 2.355 1.00 0.00 C ATOM 596 C VAL A 44 0.004 -7.253 1.915 1.00 0.00 C ATOM 597 O VAL A 44 -0.949 -7.857 2.405 1.00 0.00 O ATOM 598 CB VAL A 44 0.259 -5.634 3.872 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.866 -6.835 4.601 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.945 -4.333 4.294 1.00 0.00 C ATOM 0 H VAL A 44 -1.463 -4.742 2.197 1.00 0.00 H new ATOM 0 HA VAL A 44 1.355 -5.616 2.061 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.791 -5.565 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.806 -6.676 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.315 -7.738 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.910 -6.948 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.883 -4.223 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.992 -4.359 3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.450 -3.488 3.815 1.00 0.00 H new ATOM 610 N LYS A 45 0.818 -7.752 0.997 1.00 0.00 N ATOM 611 CA LYS A 45 0.633 -9.100 0.486 1.00 0.00 C ATOM 612 C LYS A 45 0.627 -10.087 1.654 1.00 0.00 C ATOM 613 O LYS A 45 -0.193 -11.003 1.693 1.00 0.00 O ATOM 614 CB LYS A 45 1.682 -9.417 -0.582 1.00 0.00 C ATOM 615 CG LYS A 45 1.471 -10.818 -1.158 1.00 0.00 C ATOM 616 CD LYS A 45 1.895 -10.877 -2.627 1.00 0.00 C ATOM 617 CE LYS A 45 2.556 -12.217 -2.954 1.00 0.00 C ATOM 618 NZ LYS A 45 4.030 -12.095 -2.902 1.00 0.00 N ATOM 0 H LYS A 45 1.607 -7.247 0.594 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.332 -9.189 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.626 -8.679 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.680 -9.344 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.045 -11.543 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.422 -11.098 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.024 -10.731 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.588 -10.064 -2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.223 -12.976 -2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.248 -12.549 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.463 -13.014 -3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.344 -11.386 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.320 -11.800 -1.948 1.00 0.00 H new ATOM 632 N THR A 46 1.550 -9.867 2.578 1.00 0.00 N ATOM 633 CA THR A 46 1.661 -10.726 3.745 1.00 0.00 C ATOM 634 C THR A 46 2.641 -10.128 4.757 1.00 0.00 C ATOM 635 O THR A 46 3.323 -9.148 4.461 1.00 0.00 O ATOM 636 CB THR A 46 2.060 -12.124 3.266 1.00 0.00 C ATOM 637 OG1 THR A 46 2.296 -12.849 4.470 1.00 0.00 O ATOM 638 CG2 THR A 46 3.414 -12.134 2.554 1.00 0.00 C ATOM 0 H THR A 46 2.228 -9.106 2.543 1.00 0.00 H new ATOM 0 HA THR A 46 0.709 -10.805 4.270 1.00 0.00 H new ATOM 0 HB THR A 46 1.293 -12.510 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.558 -13.768 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.650 -13.149 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.372 -11.480 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.187 -11.780 3.236 1.00 0.00 H new ATOM 646 N VAL A 47 2.678 -10.742 5.930 1.00 0.00 N ATOM 647 CA VAL A 47 3.563 -10.282 6.987 1.00 0.00 C ATOM 648 C VAL A 47 4.440 -11.446 7.454 1.00 0.00 C ATOM 649 O VAL A 47 3.930 -12.487 7.865 1.00 0.00 O ATOM 650 CB VAL A 47 2.744 -9.659 8.120 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.649 -9.226 9.276 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.907 -8.484 7.609 1.00 0.00 C ATOM 0 H VAL A 47 2.110 -11.554 6.172 1.00 0.00 H new ATOM 0 HA VAL A 47 4.228 -9.502 6.617 1.00 0.00 H new ATOM 0 HB VAL A 47 2.060 -10.419 8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.043 -8.787 10.068 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.182 -10.094 9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.368 -8.489 8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.335 -8.059 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.566 -7.721 7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.224 -8.833 6.835 1.00 0.00 H new ATOM 662 N THR A 48 5.745 -11.229 7.375 1.00 0.00 N ATOM 663 CA THR A 48 6.698 -12.247 7.785 1.00 0.00 C ATOM 664 C THR A 48 6.360 -12.762 9.185 1.00 0.00 C ATOM 665 O THR A 48 6.007 -11.982 10.069 1.00 0.00 O ATOM 666 CB THR A 48 8.102 -11.649 7.680 1.00 0.00 C ATOM 667 OG1 THR A 48 8.461 -11.842 6.314 1.00 0.00 O ATOM 668 CG2 THR A 48 9.143 -12.458 8.456 1.00 0.00 C ATOM 0 H THR A 48 6.164 -10.364 7.034 1.00 0.00 H new ATOM 0 HA THR A 48 6.650 -13.119 7.133 1.00 0.00 H new ATOM 0 HB THR A 48 8.088 -10.624 8.051 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.358 -11.481 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.122 -11.990 8.348 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.869 -12.487 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.181 -13.474 8.063 1.00 0.00 H new ATOM 676 N GLU A 49 6.480 -14.071 9.344 1.00 0.00 N ATOM 677 CA GLU A 49 6.192 -14.700 10.622 1.00 0.00 C ATOM 678 C GLU A 49 7.292 -14.373 11.634 1.00 0.00 C ATOM 679 O GLU A 49 8.443 -14.769 11.455 1.00 0.00 O ATOM 680 CB GLU A 49 6.023 -16.212 10.464 1.00 0.00 C ATOM 681 CG GLU A 49 5.181 -16.791 11.603 1.00 0.00 C ATOM 682 CD GLU A 49 5.489 -18.276 11.812 1.00 0.00 C ATOM 683 OE1 GLU A 49 6.566 -18.557 12.381 1.00 0.00 O ATOM 684 OE2 GLU A 49 4.641 -19.095 11.398 1.00 0.00 O ATOM 0 H GLU A 49 6.773 -14.714 8.609 1.00 0.00 H new ATOM 0 HA GLU A 49 5.250 -14.301 10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.547 -16.431 9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.002 -16.692 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.380 -16.242 12.523 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.122 -16.664 11.378 1.00 0.00 H new ATOM 691 N GLY A 50 6.900 -13.655 12.676 1.00 0.00 N ATOM 692 CA GLY A 50 7.838 -13.271 13.717 1.00 0.00 C ATOM 693 C GLY A 50 8.643 -12.038 13.302 1.00 0.00 C ATOM 694 O GLY A 50 9.832 -11.939 13.600 1.00 0.00 O ATOM 0 H GLY A 50 5.945 -13.329 12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.297 -13.063 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.516 -14.099 13.925 1.00 0.00 H new ATOM 698 N GLY A 51 7.962 -11.128 12.619 1.00 0.00 N ATOM 699 CA GLY A 51 8.599 -9.906 12.160 1.00 0.00 C ATOM 700 C GLY A 51 8.243 -8.727 13.069 1.00 0.00 C ATOM 701 O GLY A 51 7.668 -8.916 14.139 1.00 0.00 O ATOM 0 H GLY A 51 6.976 -11.213 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.680 -10.041 12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.286 -9.690 11.139 1.00 0.00 H new ATOM 705 N ALA A 52 8.600 -7.538 12.608 1.00 0.00 N ATOM 706 CA ALA A 52 8.326 -6.328 13.366 1.00 0.00 C ATOM 707 C ALA A 52 6.866 -5.921 13.156 1.00 0.00 C ATOM 708 O ALA A 52 6.202 -5.475 14.091 1.00 0.00 O ATOM 709 CB ALA A 52 9.304 -5.229 12.946 1.00 0.00 C ATOM 0 H ALA A 52 9.077 -7.386 11.719 1.00 0.00 H new ATOM 0 HA ALA A 52 8.470 -6.502 14.432 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.098 -4.322 13.515 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.325 -5.556 13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.186 -5.025 11.882 1.00 0.00 H new ATOM 715 N ALA A 53 6.409 -6.089 11.924 1.00 0.00 N ATOM 716 CA ALA A 53 5.040 -5.744 11.580 1.00 0.00 C ATOM 717 C ALA A 53 4.094 -6.808 12.142 1.00 0.00 C ATOM 718 O ALA A 53 2.966 -6.501 12.524 1.00 0.00 O ATOM 719 CB ALA A 53 4.916 -5.597 10.062 1.00 0.00 C ATOM 0 H ALA A 53 6.962 -6.460 11.151 1.00 0.00 H new ATOM 0 HA ALA A 53 4.762 -4.788 12.024 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.889 -5.338 9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.586 -4.810 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.184 -6.538 9.582 1.00 0.00 H new ATOM 725 N GLN A 54 4.589 -8.037 12.174 1.00 0.00 N ATOM 726 CA GLN A 54 3.802 -9.147 12.682 1.00 0.00 C ATOM 727 C GLN A 54 3.672 -9.053 14.204 1.00 0.00 C ATOM 728 O GLN A 54 2.579 -8.839 14.725 1.00 0.00 O ATOM 729 CB GLN A 54 4.412 -10.487 12.266 1.00 0.00 C ATOM 730 CG GLN A 54 3.326 -11.473 11.832 1.00 0.00 C ATOM 731 CD GLN A 54 3.333 -12.722 12.716 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.323 -13.847 12.245 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.351 -12.462 14.020 1.00 0.00 N ATOM 0 H GLN A 54 5.525 -8.288 11.856 1.00 0.00 H new ATOM 0 HA GLN A 54 2.804 -9.088 12.247 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.115 -10.332 11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.978 -10.907 13.098 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.350 -10.991 11.886 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.484 -11.759 10.792 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.359 -11.496 14.347 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.357 -13.229 14.693 1.00 0.00 H new ATOM 742 N ARG A 55 4.803 -9.217 14.874 1.00 0.00 N ATOM 743 CA ARG A 55 4.830 -9.153 16.325 1.00 0.00 C ATOM 744 C ARG A 55 3.963 -7.994 16.821 1.00 0.00 C ATOM 745 O ARG A 55 3.285 -8.113 17.840 1.00 0.00 O ATOM 746 CB ARG A 55 6.258 -8.971 16.843 1.00 0.00 C ATOM 747 CG ARG A 55 7.019 -10.298 16.831 1.00 0.00 C ATOM 748 CD ARG A 55 8.354 -10.171 17.568 1.00 0.00 C ATOM 749 NE ARG A 55 9.329 -9.442 16.726 1.00 0.00 N ATOM 750 CZ ARG A 55 10.509 -8.986 17.167 1.00 0.00 C ATOM 751 NH1 ARG A 55 10.867 -9.179 18.443 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.330 -8.335 16.331 1.00 0.00 N ATOM 0 H ARG A 55 5.708 -9.394 14.438 1.00 0.00 H new ATOM 0 HA ARG A 55 4.436 -10.095 16.705 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.782 -8.241 16.226 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.233 -8.571 17.857 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.413 -11.073 17.300 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.196 -10.611 15.802 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.210 -9.644 18.511 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.740 -11.161 17.812 1.00 0.00 H new ATOM 0 HE ARG A 55 9.087 -9.276 15.749 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.241 -9.673 19.079 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.765 -8.832 18.779 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.056 -8.187 15.360 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.229 -7.988 16.666 1.00 0.00 H new ATOM 766 N ASP A 56 4.013 -6.899 16.077 1.00 0.00 N ATOM 767 CA ASP A 56 3.241 -5.719 16.428 1.00 0.00 C ATOM 768 C ASP A 56 1.761 -6.094 16.526 1.00 0.00 C ATOM 769 O ASP A 56 1.130 -5.881 17.560 1.00 0.00 O ATOM 770 CB ASP A 56 3.384 -4.630 15.363 1.00 0.00 C ATOM 771 CG ASP A 56 2.970 -3.227 15.812 1.00 0.00 C ATOM 772 OD1 ASP A 56 2.980 -2.999 17.041 1.00 0.00 O ATOM 773 OD2 ASP A 56 2.652 -2.415 14.917 1.00 0.00 O ATOM 0 H ASP A 56 4.576 -6.804 15.232 1.00 0.00 H new ATOM 0 HA ASP A 56 3.615 -5.343 17.380 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.423 -4.598 15.035 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.785 -4.909 14.497 1.00 0.00 H new ATOM 778 N GLY A 57 1.250 -6.645 15.434 1.00 0.00 N ATOM 779 CA GLY A 57 -0.144 -7.051 15.384 1.00 0.00 C ATOM 780 C GLY A 57 -1.000 -5.990 14.688 1.00 0.00 C ATOM 781 O GLY A 57 -1.945 -6.321 13.975 1.00 0.00 O ATOM 0 H GLY A 57 1.776 -6.819 14.578 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.231 -7.999 14.854 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.515 -7.216 16.396 1.00 0.00 H new ATOM 785 N ARG A 58 -0.637 -4.738 14.921 1.00 0.00 N ATOM 786 CA ARG A 58 -1.359 -3.626 14.325 1.00 0.00 C ATOM 787 C ARG A 58 -1.581 -3.877 12.833 1.00 0.00 C ATOM 788 O ARG A 58 -2.702 -4.149 12.405 1.00 0.00 O ATOM 789 CB ARG A 58 -0.596 -2.313 14.507 1.00 0.00 C ATOM 790 CG ARG A 58 -1.458 -1.274 15.228 1.00 0.00 C ATOM 791 CD ARG A 58 -2.891 -1.283 14.692 1.00 0.00 C ATOM 792 NE ARG A 58 -2.887 -1.574 13.241 1.00 0.00 N ATOM 793 CZ ARG A 58 -3.979 -1.907 12.539 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.168 -1.994 13.150 1.00 0.00 N ATOM 795 NH2 ARG A 58 -3.881 -2.153 11.225 1.00 0.00 N ATOM 0 H ARG A 58 0.148 -4.468 15.514 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.321 -3.546 14.831 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.315 -2.494 15.077 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.292 -1.927 13.534 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.465 -1.481 16.298 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.024 -0.283 15.098 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.481 -2.032 15.220 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.363 -0.318 14.876 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.998 -1.518 12.744 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.242 -1.807 14.150 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.999 -2.247 12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.976 -2.087 10.760 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.712 -2.407 10.690 1.00 0.00 H new ATOM 809 N ILE A 59 -0.496 -3.776 12.080 1.00 0.00 N ATOM 810 CA ILE A 59 -0.558 -3.988 10.644 1.00 0.00 C ATOM 811 C ILE A 59 -0.868 -5.459 10.363 1.00 0.00 C ATOM 812 O ILE A 59 -0.238 -6.350 10.933 1.00 0.00 O ATOM 813 CB ILE A 59 0.724 -3.490 9.973 1.00 0.00 C ATOM 814 CG1 ILE A 59 0.835 -1.967 10.064 1.00 0.00 C ATOM 815 CG2 ILE A 59 0.815 -3.987 8.528 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.293 -1.532 10.225 1.00 0.00 C ATOM 0 H ILE A 59 0.432 -3.550 12.438 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.367 -3.403 10.207 1.00 0.00 H new ATOM 0 HB ILE A 59 1.575 -3.907 10.511 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.414 -1.514 9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.249 -1.606 10.909 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.735 -3.619 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.816 -5.077 8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.041 -3.619 7.962 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.344 -0.445 10.287 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.704 -1.967 11.136 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.872 -1.874 9.367 1.00 0.00 H new ATOM 828 N GLN A 60 -1.838 -5.670 9.485 1.00 0.00 N ATOM 829 CA GLN A 60 -2.239 -7.018 9.122 1.00 0.00 C ATOM 830 C GLN A 60 -2.293 -7.164 7.600 1.00 0.00 C ATOM 831 O GLN A 60 -2.551 -6.194 6.889 1.00 0.00 O ATOM 832 CB GLN A 60 -3.584 -7.379 9.755 1.00 0.00 C ATOM 833 CG GLN A 60 -3.750 -6.699 11.116 1.00 0.00 C ATOM 834 CD GLN A 60 -5.178 -6.862 11.640 1.00 0.00 C ATOM 835 OE1 GLN A 60 -5.932 -7.719 11.207 1.00 0.00 O ATOM 836 NE2 GLN A 60 -5.507 -5.995 12.593 1.00 0.00 N ATOM 0 H GLN A 60 -2.358 -4.929 9.014 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.494 -7.714 9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.395 -7.077 9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.656 -8.460 9.874 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.046 -7.128 11.829 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.510 -5.639 11.029 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.828 -5.303 12.909 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.439 -6.022 13.008 1.00 0.00 H new ATOM 845 N VAL A 61 -2.045 -8.384 7.145 1.00 0.00 N ATOM 846 CA VAL A 61 -2.061 -8.669 5.721 1.00 0.00 C ATOM 847 C VAL A 61 -3.255 -7.960 5.077 1.00 0.00 C ATOM 848 O VAL A 61 -4.280 -7.750 5.724 1.00 0.00 O ATOM 849 CB VAL A 61 -2.069 -10.181 5.490 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.202 -10.508 4.001 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.820 -10.833 6.086 1.00 0.00 C ATOM 0 H VAL A 61 -1.832 -9.186 7.738 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.159 -8.285 5.245 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.939 -10.594 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.205 -11.589 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.134 -10.092 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.362 -10.076 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.851 -11.908 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.069 -10.413 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.788 -10.644 7.159 1.00 0.00 H new ATOM 861 N ASN A 62 -3.081 -7.610 3.811 1.00 0.00 N ATOM 862 CA ASN A 62 -4.131 -6.929 3.073 1.00 0.00 C ATOM 863 C ASN A 62 -4.173 -5.458 3.494 1.00 0.00 C ATOM 864 O ASN A 62 -5.000 -4.691 3.002 1.00 0.00 O ATOM 865 CB ASN A 62 -5.500 -7.544 3.368 1.00 0.00 C ATOM 866 CG ASN A 62 -5.425 -9.072 3.375 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.313 -9.719 2.347 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.491 -9.611 4.590 1.00 0.00 N ATOM 0 H ASN A 62 -2.229 -7.785 3.278 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.913 -7.027 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.861 -7.190 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.220 -7.215 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.448 -10.624 4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.585 -9.011 5.410 1.00 0.00 H new ATOM 875 N ASP A 63 -3.271 -5.109 4.399 1.00 0.00 N ATOM 876 CA ASP A 63 -3.195 -3.744 4.892 1.00 0.00 C ATOM 877 C ASP A 63 -2.810 -2.812 3.742 1.00 0.00 C ATOM 878 O ASP A 63 -1.997 -3.172 2.892 1.00 0.00 O ATOM 879 CB ASP A 63 -2.132 -3.612 5.984 1.00 0.00 C ATOM 880 CG ASP A 63 -1.208 -2.400 5.843 1.00 0.00 C ATOM 881 OD1 ASP A 63 -1.741 -1.313 5.533 1.00 0.00 O ATOM 882 OD2 ASP A 63 0.010 -2.589 6.049 1.00 0.00 O ATOM 0 H ASP A 63 -2.586 -5.748 4.804 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.169 -3.479 5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.631 -3.559 6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.523 -4.516 5.989 1.00 0.00 H new ATOM 887 N GLN A 64 -3.413 -1.633 3.751 1.00 0.00 N ATOM 888 CA GLN A 64 -3.144 -0.646 2.719 1.00 0.00 C ATOM 889 C GLN A 64 -2.359 0.531 3.302 1.00 0.00 C ATOM 890 O GLN A 64 -2.913 1.349 4.035 1.00 0.00 O ATOM 891 CB GLN A 64 -4.442 -0.169 2.064 1.00 0.00 C ATOM 892 CG GLN A 64 -4.151 0.677 0.823 1.00 0.00 C ATOM 893 CD GLN A 64 -5.362 1.534 0.448 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.485 1.275 0.846 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.071 2.566 -0.339 1.00 0.00 N ATOM 0 H GLN A 64 -4.088 -1.338 4.457 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.537 -1.115 1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.051 -1.029 1.787 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.021 0.415 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.290 1.319 1.010 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.889 0.027 -0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.108 2.725 -0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.811 3.198 -0.646 1.00 0.00 H new ATOM 904 N ILE A 65 -1.081 0.579 2.954 1.00 0.00 N ATOM 905 CA ILE A 65 -0.215 1.643 3.433 1.00 0.00 C ATOM 906 C ILE A 65 -0.455 2.904 2.602 1.00 0.00 C ATOM 907 O ILE A 65 0.221 3.129 1.599 1.00 0.00 O ATOM 908 CB ILE A 65 1.244 1.181 3.444 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.427 -0.036 4.353 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.179 2.330 3.828 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.502 -0.975 3.801 1.00 0.00 C ATOM 0 H ILE A 65 -0.625 -0.101 2.346 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.454 1.893 4.467 1.00 0.00 H new ATOM 0 HB ILE A 65 1.512 0.871 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.705 0.292 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.482 -0.572 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.210 1.976 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.074 3.141 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.920 2.693 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.613 -1.832 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.209 -1.320 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.451 -0.443 3.734 1.00 0.00 H new ATOM 923 N VAL A 66 -1.420 3.694 3.049 1.00 0.00 N ATOM 924 CA VAL A 66 -1.758 4.927 2.358 1.00 0.00 C ATOM 925 C VAL A 66 -0.580 5.900 2.454 1.00 0.00 C ATOM 926 O VAL A 66 -0.298 6.634 1.509 1.00 0.00 O ATOM 927 CB VAL A 66 -3.057 5.505 2.924 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.442 6.798 2.202 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.190 4.479 2.852 1.00 0.00 C ATOM 0 H VAL A 66 -1.979 3.504 3.881 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.937 4.735 1.300 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.888 5.745 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.369 7.188 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.648 7.535 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.584 6.594 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.102 4.915 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.358 4.194 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.919 3.596 3.431 1.00 0.00 H new ATOM 939 N GLU A 67 0.076 5.873 3.605 1.00 0.00 N ATOM 940 CA GLU A 67 1.216 6.742 3.837 1.00 0.00 C ATOM 941 C GLU A 67 2.268 6.024 4.685 1.00 0.00 C ATOM 942 O GLU A 67 1.954 5.064 5.388 1.00 0.00 O ATOM 943 CB GLU A 67 0.782 8.053 4.495 1.00 0.00 C ATOM 944 CG GLU A 67 1.933 8.678 5.286 1.00 0.00 C ATOM 945 CD GLU A 67 1.481 9.954 5.998 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.296 10.966 5.288 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.329 9.889 7.237 1.00 0.00 O ATOM 0 H GLU A 67 -0.161 5.262 4.387 1.00 0.00 H new ATOM 0 HA GLU A 67 1.662 6.988 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.440 8.751 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.062 7.868 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.307 7.962 6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.759 8.906 4.613 1.00 0.00 H new ATOM 954 N VAL A 68 3.494 6.517 4.593 1.00 0.00 N ATOM 955 CA VAL A 68 4.593 5.935 5.344 1.00 0.00 C ATOM 956 C VAL A 68 5.535 7.048 5.808 1.00 0.00 C ATOM 957 O VAL A 68 6.125 7.749 4.988 1.00 0.00 O ATOM 958 CB VAL A 68 5.297 4.870 4.500 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.807 5.113 4.459 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.981 3.465 5.016 1.00 0.00 C ATOM 0 H VAL A 68 3.751 7.313 4.010 1.00 0.00 H new ATOM 0 HA VAL A 68 4.221 5.431 6.236 1.00 0.00 H new ATOM 0 HB VAL A 68 4.918 4.945 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.283 4.342 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.006 6.092 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.209 5.078 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.493 2.727 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.318 3.372 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.906 3.293 4.969 1.00 0.00 H new ATOM 970 N ASP A 69 5.645 7.176 7.122 1.00 0.00 N ATOM 971 CA ASP A 69 6.505 8.192 7.705 1.00 0.00 C ATOM 972 C ASP A 69 6.147 9.557 7.114 1.00 0.00 C ATOM 973 O ASP A 69 6.957 10.483 7.146 1.00 0.00 O ATOM 974 CB ASP A 69 7.977 7.913 7.395 1.00 0.00 C ATOM 975 CG ASP A 69 8.694 7.023 8.411 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.769 7.447 9.584 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.152 5.938 7.991 1.00 0.00 O ATOM 0 H ASP A 69 5.153 6.593 7.799 1.00 0.00 H new ATOM 0 HA ASP A 69 6.356 8.180 8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.043 7.444 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.506 8.864 7.331 1.00 0.00 H new ATOM 982 N GLY A 70 4.934 9.639 6.588 1.00 0.00 N ATOM 983 CA GLY A 70 4.460 10.875 5.990 1.00 0.00 C ATOM 984 C GLY A 70 4.373 10.750 4.467 1.00 0.00 C ATOM 985 O GLY A 70 3.554 11.413 3.832 1.00 0.00 O ATOM 0 H GLY A 70 4.265 8.869 6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.479 11.126 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.132 11.692 6.254 1.00 0.00 H new ATOM 989 N ILE A 71 5.228 9.896 3.926 1.00 0.00 N ATOM 990 CA ILE A 71 5.258 9.675 2.490 1.00 0.00 C ATOM 991 C ILE A 71 3.949 9.017 2.052 1.00 0.00 C ATOM 992 O ILE A 71 3.465 8.093 2.705 1.00 0.00 O ATOM 993 CB ILE A 71 6.507 8.883 2.096 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.766 9.741 2.234 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.363 8.298 0.690 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.008 8.967 1.787 1.00 0.00 C ATOM 0 H ILE A 71 5.906 9.348 4.456 1.00 0.00 H new ATOM 0 HA ILE A 71 5.330 10.625 1.960 1.00 0.00 H new ATOM 0 HB ILE A 71 6.612 8.045 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.662 10.646 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.883 10.057 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.264 7.740 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.502 7.630 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.221 9.106 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.889 9.599 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.123 8.076 2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.898 8.674 0.743 1.00 0.00 H new ATOM 1008 N SER A 72 3.411 9.517 0.949 1.00 0.00 N ATOM 1009 CA SER A 72 2.167 8.989 0.417 1.00 0.00 C ATOM 1010 C SER A 72 2.458 7.845 -0.556 1.00 0.00 C ATOM 1011 O SER A 72 3.365 7.943 -1.382 1.00 0.00 O ATOM 1012 CB SER A 72 1.357 10.085 -0.280 1.00 0.00 C ATOM 1013 OG SER A 72 0.380 9.545 -1.166 1.00 0.00 O ATOM 0 H SER A 72 3.815 10.283 0.409 1.00 0.00 H new ATOM 0 HA SER A 72 1.574 8.609 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.864 10.704 0.470 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.031 10.736 -0.837 1.00 0.00 H new ATOM 0 HG SER A 72 -0.117 10.276 -1.590 1.00 0.00 H new ATOM 1019 N LEU A 73 1.673 6.786 -0.426 1.00 0.00 N ATOM 1020 CA LEU A 73 1.835 5.624 -1.283 1.00 0.00 C ATOM 1021 C LEU A 73 0.528 5.364 -2.036 1.00 0.00 C ATOM 1022 O LEU A 73 0.104 4.218 -2.174 1.00 0.00 O ATOM 1023 CB LEU A 73 2.326 4.424 -0.472 1.00 0.00 C ATOM 1024 CG LEU A 73 3.584 4.652 0.369 1.00 0.00 C ATOM 1025 CD1 LEU A 73 3.918 3.413 1.203 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.759 5.085 -0.510 1.00 0.00 C ATOM 0 H LEU A 73 0.922 6.708 0.260 1.00 0.00 H new ATOM 0 HA LEU A 73 2.604 5.809 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.522 4.106 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.517 3.600 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 73 3.386 5.466 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.816 3.602 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.087 3.189 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.090 2.564 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.641 5.241 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.967 4.309 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.508 6.014 -1.022 1.00 0.00 H new ATOM 1038 N VAL A 74 -0.074 6.448 -2.503 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.323 6.352 -3.238 1.00 0.00 C ATOM 1040 C VAL A 74 -1.077 6.715 -4.704 1.00 0.00 C ATOM 1041 O VAL A 74 -0.449 7.730 -4.999 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.389 7.229 -2.576 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.694 7.203 -3.374 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.624 6.805 -1.126 1.00 0.00 C ATOM 0 H VAL A 74 0.280 7.397 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.701 5.330 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.022 8.255 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.434 7.834 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.512 7.576 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.067 6.180 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.386 7.444 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.959 5.768 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.695 6.900 -0.564 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.584 5.864 -5.584 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.427 6.082 -7.012 1.00 0.00 C ATOM 1056 C GLY A 75 0.050 6.066 -7.410 1.00 0.00 C ATOM 1057 O GLY A 75 0.455 6.765 -8.338 1.00 0.00 O ATOM 0 H GLY A 75 -2.104 5.022 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.964 5.310 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.871 7.038 -7.289 1.00 0.00 H new ATOM 1061 N VAL A 76 0.816 5.260 -6.688 1.00 0.00 N ATOM 1062 CA VAL A 76 2.239 5.144 -6.954 1.00 0.00 C ATOM 1063 C VAL A 76 2.563 3.703 -7.354 1.00 0.00 C ATOM 1064 O VAL A 76 1.945 2.763 -6.855 1.00 0.00 O ATOM 1065 CB VAL A 76 3.039 5.621 -5.740 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.521 6.971 -5.239 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.018 4.576 -4.623 1.00 0.00 C ATOM 0 H VAL A 76 0.477 4.681 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 76 2.525 5.785 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 76 4.075 5.754 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.106 7.288 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.613 7.713 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.474 6.875 -4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.594 4.941 -3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.989 4.395 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.456 3.646 -4.986 1.00 0.00 H new ATOM 1077 N THR A 77 3.531 3.574 -8.249 1.00 0.00 N ATOM 1078 CA THR A 77 3.944 2.263 -8.721 1.00 0.00 C ATOM 1079 C THR A 77 4.643 1.489 -7.602 1.00 0.00 C ATOM 1080 O THR A 77 5.412 2.063 -6.832 1.00 0.00 O ATOM 1081 CB THR A 77 4.818 2.461 -9.961 1.00 0.00 C ATOM 1082 OG1 THR A 77 4.769 1.202 -10.626 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.297 2.641 -9.612 1.00 0.00 C ATOM 0 H THR A 77 4.041 4.356 -8.660 1.00 0.00 H new ATOM 0 HA THR A 77 3.084 1.656 -9.005 1.00 0.00 H new ATOM 0 HB THR A 77 4.467 3.331 -10.516 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.650 0.775 -10.583 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.873 2.778 -10.527 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.416 3.517 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.657 1.757 -9.086 1.00 0.00 H new ATOM 1091 N GLN A 78 4.351 0.198 -7.547 1.00 0.00 N ATOM 1092 CA GLN A 78 4.942 -0.661 -6.535 1.00 0.00 C ATOM 1093 C GLN A 78 6.405 -0.277 -6.302 1.00 0.00 C ATOM 1094 O GLN A 78 6.864 -0.233 -5.161 1.00 0.00 O ATOM 1095 CB GLN A 78 4.817 -2.135 -6.925 1.00 0.00 C ATOM 1096 CG GLN A 78 5.045 -3.044 -5.716 1.00 0.00 C ATOM 1097 CD GLN A 78 5.843 -4.289 -6.109 1.00 0.00 C ATOM 1098 OE1 GLN A 78 6.662 -4.274 -7.013 1.00 0.00 O ATOM 1099 NE2 GLN A 78 5.558 -5.365 -5.381 1.00 0.00 N ATOM 0 H GLN A 78 3.713 -0.274 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 78 4.396 -0.519 -5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.828 -2.321 -7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.542 -2.371 -7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.579 -2.496 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.085 -3.341 -5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.861 -5.308 -4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.036 -6.247 -5.565 1.00 0.00 H new ATOM 1108 N ASN A 79 7.095 -0.009 -7.400 1.00 0.00 N ATOM 1109 CA ASN A 79 8.496 0.369 -7.329 1.00 0.00 C ATOM 1110 C ASN A 79 8.660 1.519 -6.334 1.00 0.00 C ATOM 1111 O ASN A 79 9.403 1.402 -5.361 1.00 0.00 O ATOM 1112 CB ASN A 79 9.007 0.846 -8.690 1.00 0.00 C ATOM 1113 CG ASN A 79 8.566 -0.104 -9.805 1.00 0.00 C ATOM 1114 OD1 ASN A 79 7.537 0.073 -10.436 1.00 0.00 O ATOM 1115 ND2 ASN A 79 9.399 -1.121 -10.012 1.00 0.00 N ATOM 0 H ASN A 79 6.710 -0.046 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 79 9.066 -0.506 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.631 1.849 -8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.095 0.911 -8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.192 -1.811 -10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.244 -1.211 -9.448 1.00 0.00 H new ATOM 1122 N PHE A 80 7.954 2.605 -6.612 1.00 0.00 N ATOM 1123 CA PHE A 80 8.011 3.776 -5.753 1.00 0.00 C ATOM 1124 C PHE A 80 7.912 3.379 -4.278 1.00 0.00 C ATOM 1125 O PHE A 80 8.775 3.733 -3.477 1.00 0.00 O ATOM 1126 CB PHE A 80 6.812 4.655 -6.114 1.00 0.00 C ATOM 1127 CG PHE A 80 6.668 5.901 -5.237 1.00 0.00 C ATOM 1128 CD1 PHE A 80 6.319 5.774 -3.929 1.00 0.00 C ATOM 1129 CD2 PHE A 80 6.889 7.134 -5.766 1.00 0.00 C ATOM 1130 CE1 PHE A 80 6.184 6.930 -3.115 1.00 0.00 C ATOM 1131 CE2 PHE A 80 6.754 8.290 -4.952 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.405 8.164 -3.644 1.00 0.00 C ATOM 0 H PHE A 80 7.339 2.699 -7.420 1.00 0.00 H new ATOM 0 HA PHE A 80 8.956 4.298 -5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.902 4.964 -7.155 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.902 4.061 -6.035 1.00 0.00 H new ATOM 0 HD1 PHE A 80 6.144 4.794 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.167 7.234 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.906 6.830 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.929 9.269 -5.372 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.303 9.043 -3.025 1.00 0.00 H new ATOM 1142 N ALA A 81 6.851 2.649 -3.965 1.00 0.00 N ATOM 1143 CA ALA A 81 6.628 2.200 -2.601 1.00 0.00 C ATOM 1144 C ALA A 81 7.879 1.481 -2.094 1.00 0.00 C ATOM 1145 O ALA A 81 8.460 1.875 -1.084 1.00 0.00 O ATOM 1146 CB ALA A 81 5.384 1.311 -2.554 1.00 0.00 C ATOM 0 H ALA A 81 6.137 2.358 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 81 6.447 3.049 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.216 0.974 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.518 1.878 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.530 0.446 -3.202 1.00 0.00 H new ATOM 1152 N ALA A 82 8.258 0.438 -2.819 1.00 0.00 N ATOM 1153 CA ALA A 82 9.430 -0.340 -2.455 1.00 0.00 C ATOM 1154 C ALA A 82 10.536 0.603 -1.978 1.00 0.00 C ATOM 1155 O ALA A 82 11.110 0.402 -0.910 1.00 0.00 O ATOM 1156 CB ALA A 82 9.866 -1.195 -3.647 1.00 0.00 C ATOM 0 H ALA A 82 7.774 0.114 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 82 9.200 -1.019 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.745 -1.779 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.056 -1.868 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.108 -0.548 -4.490 1.00 0.00 H new ATOM 1162 N THR A 83 10.800 1.613 -2.795 1.00 0.00 N ATOM 1163 CA THR A 83 11.827 2.588 -2.470 1.00 0.00 C ATOM 1164 C THR A 83 11.559 3.208 -1.097 1.00 0.00 C ATOM 1165 O THR A 83 12.440 3.230 -0.239 1.00 0.00 O ATOM 1166 CB THR A 83 11.878 3.617 -3.601 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.255 2.856 -4.745 1.00 0.00 O ATOM 1168 CG2 THR A 83 13.019 4.621 -3.429 1.00 0.00 C ATOM 0 H THR A 83 10.321 1.777 -3.680 1.00 0.00 H new ATOM 0 HA THR A 83 12.808 2.118 -2.394 1.00 0.00 H new ATOM 0 HB THR A 83 10.929 4.151 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.310 3.445 -5.526 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.010 5.328 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.891 5.161 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.971 4.091 -3.415 1.00 0.00 H new ATOM 1176 N VAL A 84 10.338 3.696 -0.932 1.00 0.00 N ATOM 1177 CA VAL A 84 9.943 4.315 0.322 1.00 0.00 C ATOM 1178 C VAL A 84 10.238 3.353 1.475 1.00 0.00 C ATOM 1179 O VAL A 84 10.977 3.694 2.398 1.00 0.00 O ATOM 1180 CB VAL A 84 8.474 4.737 0.257 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.923 5.023 1.655 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.291 5.946 -0.662 1.00 0.00 C ATOM 0 H VAL A 84 9.610 3.675 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 84 10.521 5.222 0.499 1.00 0.00 H new ATOM 0 HB VAL A 84 7.906 3.907 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.877 5.321 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.001 4.125 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.497 5.827 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.238 6.225 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.878 6.783 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.626 5.693 -1.668 1.00 0.00 H new ATOM 1192 N LEU A 85 9.645 2.172 1.385 1.00 0.00 N ATOM 1193 CA LEU A 85 9.835 1.159 2.409 1.00 0.00 C ATOM 1194 C LEU A 85 11.326 0.839 2.533 1.00 0.00 C ATOM 1195 O LEU A 85 11.767 0.304 3.549 1.00 0.00 O ATOM 1196 CB LEU A 85 8.965 -0.066 2.120 1.00 0.00 C ATOM 1197 CG LEU A 85 7.467 0.200 1.954 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.756 -1.021 1.366 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.840 0.647 3.276 1.00 0.00 C ATOM 0 H LEU A 85 9.032 1.894 0.618 1.00 0.00 H new ATOM 0 HA LEU A 85 9.507 1.532 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.332 -0.542 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.099 -0.782 2.931 1.00 0.00 H new ATOM 0 HG LEU A 85 7.341 1.019 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.693 -0.806 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.180 -1.254 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.888 -1.874 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.775 0.829 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.975 -0.133 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.322 1.564 3.616 1.00 0.00 H new ATOM 1211 N ARG A 86 12.061 1.180 1.485 1.00 0.00 N ATOM 1212 CA ARG A 86 13.493 0.935 1.464 1.00 0.00 C ATOM 1213 C ARG A 86 14.245 2.130 2.054 1.00 0.00 C ATOM 1214 O ARG A 86 15.355 1.980 2.561 1.00 0.00 O ATOM 1215 CB ARG A 86 13.988 0.684 0.038 1.00 0.00 C ATOM 1216 CG ARG A 86 15.513 0.789 -0.040 1.00 0.00 C ATOM 1217 CD ARG A 86 16.091 -0.296 -0.950 1.00 0.00 C ATOM 1218 NE ARG A 86 17.388 -0.767 -0.414 1.00 0.00 N ATOM 1219 CZ ARG A 86 18.216 -1.593 -1.069 1.00 0.00 C ATOM 1220 NH1 ARG A 86 17.887 -2.044 -2.287 1.00 0.00 N ATOM 1221 NH2 ARG A 86 19.372 -1.968 -0.505 1.00 0.00 N ATOM 0 H ARG A 86 11.692 1.624 0.644 1.00 0.00 H new ATOM 0 HA ARG A 86 13.686 0.047 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.671 -0.305 -0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.535 1.407 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.795 1.772 -0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.939 0.696 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.394 -1.131 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.225 0.097 -1.958 1.00 0.00 H new ATOM 0 HE ARG A 86 17.669 -0.443 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.007 -1.759 -2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.517 -2.673 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.622 -1.625 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.002 -2.597 -1.003 1.00 0.00 H new ATOM 1235 N ASN A 87 13.608 3.289 1.969 1.00 0.00 N ATOM 1236 CA ASN A 87 14.203 4.509 2.489 1.00 0.00 C ATOM 1237 C ASN A 87 13.966 4.583 3.999 1.00 0.00 C ATOM 1238 O ASN A 87 14.821 5.063 4.741 1.00 0.00 O ATOM 1239 CB ASN A 87 13.569 5.746 1.850 1.00 0.00 C ATOM 1240 CG ASN A 87 14.452 6.297 0.728 1.00 0.00 C ATOM 1241 OD1 ASN A 87 14.020 6.004 -0.495 1.00 0.00 O flip ATOM 1242 ND2 ASN A 87 15.459 6.946 0.958 1.00 0.00 N flip ATOM 0 H ASN A 87 12.687 3.409 1.548 1.00 0.00 H new ATOM 0 HA ASN A 87 15.268 4.490 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.586 5.491 1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.417 6.514 2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.735 7.135 1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.025 7.299 0.187 1.00 0.00 H new ATOM 1249 N THR A 88 12.802 4.101 4.408 1.00 0.00 N ATOM 1250 CA THR A 88 12.443 4.107 5.815 1.00 0.00 C ATOM 1251 C THR A 88 13.654 3.742 6.676 1.00 0.00 C ATOM 1252 O THR A 88 14.628 3.181 6.178 1.00 0.00 O ATOM 1253 CB THR A 88 11.256 3.160 6.004 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.530 2.078 5.119 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.946 3.750 5.476 1.00 0.00 C ATOM 0 H THR A 88 12.095 3.704 3.789 1.00 0.00 H new ATOM 0 HA THR A 88 12.139 5.102 6.141 1.00 0.00 H new ATOM 0 HB THR A 88 11.147 2.922 7.062 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.286 1.233 5.551 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.136 3.038 5.635 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.724 4.676 6.006 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.044 3.957 4.410 1.00 0.00 H new ATOM 1263 N LYS A 89 13.552 4.075 7.955 1.00 0.00 N ATOM 1264 CA LYS A 89 14.627 3.790 8.890 1.00 0.00 C ATOM 1265 C LYS A 89 14.042 3.159 10.155 1.00 0.00 C ATOM 1266 O LYS A 89 12.863 2.810 10.191 1.00 0.00 O ATOM 1267 CB LYS A 89 15.454 5.049 9.157 1.00 0.00 C ATOM 1268 CG LYS A 89 16.251 5.455 7.915 1.00 0.00 C ATOM 1269 CD LYS A 89 17.698 4.967 8.009 1.00 0.00 C ATOM 1270 CE LYS A 89 18.032 4.018 6.857 1.00 0.00 C ATOM 1271 NZ LYS A 89 19.468 3.658 6.882 1.00 0.00 N ATOM 0 H LYS A 89 12.742 4.539 8.365 1.00 0.00 H new ATOM 0 HA LYS A 89 15.321 3.066 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.795 5.865 9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.136 4.871 9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.780 5.039 7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.235 6.540 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.375 5.821 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.853 4.458 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.424 3.117 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.786 4.490 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.678 3.013 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.043 4.519 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.693 3.188 7.782 1.00 0.00 H new ATOM 1285 N GLY A 90 14.894 3.031 11.162 1.00 0.00 N ATOM 1286 CA GLY A 90 14.476 2.448 12.426 1.00 0.00 C ATOM 1287 C GLY A 90 12.955 2.505 12.580 1.00 0.00 C ATOM 1288 O GLY A 90 12.263 1.524 12.313 1.00 0.00 O ATOM 0 H GLY A 90 15.871 3.321 11.128 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.812 1.413 12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.949 2.981 13.251 1.00 0.00 H new ATOM 1292 N ASN A 91 12.479 3.664 13.011 1.00 0.00 N ATOM 1293 CA ASN A 91 11.052 3.862 13.204 1.00 0.00 C ATOM 1294 C ASN A 91 10.397 4.163 11.854 1.00 0.00 C ATOM 1295 O ASN A 91 10.958 4.889 11.036 1.00 0.00 O ATOM 1296 CB ASN A 91 10.781 5.044 14.136 1.00 0.00 C ATOM 1297 CG ASN A 91 9.282 5.207 14.393 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.616 6.054 13.820 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.790 4.351 15.284 1.00 0.00 N ATOM 0 H ASN A 91 13.056 4.476 13.232 1.00 0.00 H new ATOM 0 HA ASN A 91 10.642 2.954 13.646 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.301 4.893 15.082 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.180 5.958 13.695 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.799 4.379 15.525 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.403 3.667 15.727 1.00 0.00 H new ATOM 1306 N VAL A 92 9.217 3.591 11.665 1.00 0.00 N ATOM 1307 CA VAL A 92 8.479 3.789 10.429 1.00 0.00 C ATOM 1308 C VAL A 92 6.987 3.912 10.745 1.00 0.00 C ATOM 1309 O VAL A 92 6.381 2.977 11.268 1.00 0.00 O ATOM 1310 CB VAL A 92 8.791 2.659 9.446 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.085 2.886 8.108 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.300 2.503 9.251 1.00 0.00 C ATOM 0 H VAL A 92 8.754 2.990 12.347 1.00 0.00 H new ATOM 0 HA VAL A 92 8.786 4.716 9.945 1.00 0.00 H new ATOM 0 HB VAL A 92 8.411 1.730 9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.324 2.069 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.007 2.923 8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.420 3.828 7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.494 1.693 8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.714 3.432 8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.769 2.273 10.208 1.00 0.00 H new ATOM 1322 N ARG A 93 6.438 5.072 10.416 1.00 0.00 N ATOM 1323 CA ARG A 93 5.029 5.328 10.658 1.00 0.00 C ATOM 1324 C ARG A 93 4.200 4.939 9.432 1.00 0.00 C ATOM 1325 O ARG A 93 4.282 5.588 8.391 1.00 0.00 O ATOM 1326 CB ARG A 93 4.785 6.804 10.982 1.00 0.00 C ATOM 1327 CG ARG A 93 4.142 6.964 12.360 1.00 0.00 C ATOM 1328 CD ARG A 93 5.204 7.181 13.440 1.00 0.00 C ATOM 1329 NE ARG A 93 4.568 7.664 14.686 1.00 0.00 N ATOM 1330 CZ ARG A 93 5.231 8.269 15.681 1.00 0.00 C ATOM 1331 NH1 ARG A 93 6.552 8.468 15.583 1.00 0.00 N ATOM 1332 NH2 ARG A 93 4.572 8.674 16.776 1.00 0.00 N ATOM 0 H ARG A 93 6.944 5.845 9.984 1.00 0.00 H new ATOM 0 HA ARG A 93 4.725 4.724 11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.729 7.347 10.952 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.140 7.245 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.453 7.809 12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.554 6.077 12.596 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.736 6.249 13.631 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.943 7.904 13.095 1.00 0.00 H new ATOM 0 HE ARG A 93 3.563 7.528 14.794 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.054 8.159 14.751 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.056 8.929 16.341 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.566 8.522 16.852 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.076 9.135 17.534 1.00 0.00 H new ATOM 1346 N PHE A 94 3.420 3.881 9.597 1.00 0.00 N ATOM 1347 CA PHE A 94 2.576 3.397 8.517 1.00 0.00 C ATOM 1348 C PHE A 94 1.112 3.773 8.754 1.00 0.00 C ATOM 1349 O PHE A 94 0.541 3.435 9.790 1.00 0.00 O ATOM 1350 CB PHE A 94 2.703 1.872 8.500 1.00 0.00 C ATOM 1351 CG PHE A 94 4.112 1.368 8.182 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.544 1.323 6.893 1.00 0.00 C ATOM 1353 CD2 PHE A 94 4.933 0.966 9.189 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.852 0.855 6.599 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.241 0.498 8.895 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.673 0.453 7.606 1.00 0.00 C ATOM 0 H PHE A 94 3.354 3.345 10.462 1.00 0.00 H new ATOM 0 HA PHE A 94 2.888 3.842 7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.399 1.482 9.471 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.009 1.468 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.892 1.643 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.590 1.003 10.212 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.195 0.818 5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.893 0.178 9.695 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.668 0.098 7.382 1.00 0.00 H new ATOM 1366 N VAL A 95 0.547 4.467 7.777 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.839 4.893 7.867 1.00 0.00 C ATOM 1368 C VAL A 95 -1.718 3.922 7.076 1.00 0.00 C ATOM 1369 O VAL A 95 -1.891 4.078 5.868 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.973 6.341 7.394 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.380 6.615 6.856 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.615 7.320 8.514 1.00 0.00 C ATOM 0 H VAL A 95 1.024 4.745 6.919 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.179 4.871 8.902 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.266 6.493 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.448 7.652 6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.583 5.953 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.112 6.436 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.719 8.342 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.285 7.166 9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.414 7.150 8.831 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.250 2.940 7.789 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.107 1.944 7.168 1.00 0.00 C ATOM 1384 C ILE A 96 -4.511 2.525 6.989 1.00 0.00 C ATOM 1385 O ILE A 96 -4.899 3.450 7.700 1.00 0.00 O ATOM 1386 CB ILE A 96 -3.079 0.640 7.969 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.677 0.360 8.512 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.616 -0.526 7.136 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.618 0.561 7.425 1.00 0.00 C ATOM 0 H ILE A 96 -2.104 2.813 8.790 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.738 1.690 6.174 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.740 0.752 8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.470 1.022 9.353 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.627 -0.661 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.585 -1.441 7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.645 -0.319 6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.001 -0.650 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.370 0.356 7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.814 -0.119 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.655 1.590 7.067 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.233 1.959 6.033 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.585 2.410 5.751 1.00 0.00 C ATOM 1403 C GLY A 97 -7.575 1.244 5.808 1.00 0.00 C ATOM 1404 O GLY A 97 -7.658 0.449 4.873 1.00 0.00 O ATOM 0 H GLY A 97 -4.907 1.192 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.875 3.174 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.619 2.873 4.765 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.301 1.180 6.914 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.282 0.125 7.106 1.00 0.00 C ATOM 1410 C ARG A 98 -10.697 0.678 6.927 1.00 0.00 C ATOM 1411 O ARG A 98 -10.933 1.868 7.129 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.156 -0.498 8.497 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.753 -1.971 8.404 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.270 -2.155 8.734 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.031 -3.524 9.244 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.114 -4.630 8.492 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -7.430 -4.536 7.194 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.881 -5.831 9.040 1.00 0.00 N ATOM 0 H ARG A 98 -8.230 1.842 7.687 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.092 -0.645 6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.414 0.050 9.079 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.105 -0.410 9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.358 -2.562 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.955 -2.344 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.666 -1.979 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.961 -1.421 9.479 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.788 -3.632 10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.608 -3.622 6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.493 -5.378 6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.641 -5.902 10.029 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.944 -6.673 8.468 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.603 -0.213 6.552 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.989 0.170 6.344 1.00 0.00 C ATOM 1434 C GLU A 99 -13.651 0.512 7.681 1.00 0.00 C ATOM 1435 O GLU A 99 -13.668 -0.308 8.597 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.760 -0.933 5.617 1.00 0.00 C ATOM 1437 CG GLU A 99 -14.093 -0.515 4.183 1.00 0.00 C ATOM 1438 CD GLU A 99 -14.291 -1.740 3.287 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -15.434 -2.246 3.262 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -13.295 -2.142 2.648 1.00 0.00 O ATOM 0 H GLU A 99 -11.404 -1.200 6.387 1.00 0.00 H new ATOM 0 HA GLU A 99 -13.009 1.058 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.168 -1.848 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.680 -1.156 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.997 0.093 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.290 0.105 3.785 1.00 0.00 H new