USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 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+ -172:sc= 0.835 (180deg=0.534) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 25 SER OG : rot -160:sc= -0.0431 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= -0.38! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.93! C(o=-1.9!,f=-9.6!) USER MOD Single : A 60 GLN : amide:sc= -0.0537 K(o=-0.054,f=-1.4) USER MOD Single : A 62 ASN : amide:sc= -2.75! C(o=-2.8!,f=-3.2!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.454 K(o=-0.45,f=-1.7) USER MOD Single : A 79 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.8!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.36! K(o=-2.4!,f=-1.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.461 4.255 7.194 1.00 0.00 N ATOM 86 CA GLU A 9 -9.863 4.530 8.490 1.00 0.00 C ATOM 87 C GLU A 9 -8.344 4.655 8.358 1.00 0.00 C ATOM 88 O GLU A 9 -7.633 3.651 8.365 1.00 0.00 O ATOM 89 CB GLU A 9 -10.239 3.452 9.507 1.00 0.00 C ATOM 90 CG GLU A 9 -9.094 3.205 10.492 1.00 0.00 C ATOM 91 CD GLU A 9 -9.622 2.663 11.822 1.00 0.00 C ATOM 92 OE1 GLU A 9 -9.968 1.462 11.849 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.669 3.463 12.782 1.00 0.00 O ATOM 0 HA GLU A 9 -10.255 5.479 8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.133 3.756 10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.483 2.525 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.386 2.497 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.551 4.134 10.664 1.00 0.00 H new ATOM 100 N LEU A 10 -7.892 5.895 8.240 1.00 0.00 N ATOM 101 CA LEU A 10 -6.470 6.163 8.107 1.00 0.00 C ATOM 102 C LEU A 10 -5.872 6.422 9.492 1.00 0.00 C ATOM 103 O LEU A 10 -6.169 7.436 10.120 1.00 0.00 O ATOM 104 CB LEU A 10 -6.231 7.300 7.112 1.00 0.00 C ATOM 105 CG LEU A 10 -6.881 7.136 5.737 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.515 5.787 5.114 1.00 0.00 C ATOM 107 CD2 LEU A 10 -8.396 7.337 5.820 1.00 0.00 C ATOM 0 H LEU A 10 -8.485 6.725 8.234 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.955 5.295 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.595 8.227 7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.156 7.414 6.972 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.488 7.911 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.990 5.696 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.433 5.721 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.861 4.981 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.834 7.215 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.824 6.600 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.610 8.339 6.191 1.00 0.00 H new ATOM 119 N PHE A 11 -5.041 5.486 9.926 1.00 0.00 N ATOM 120 CA PHE A 11 -4.398 5.600 11.224 1.00 0.00 C ATOM 121 C PHE A 11 -2.902 5.296 11.125 1.00 0.00 C ATOM 122 O PHE A 11 -2.504 4.325 10.484 1.00 0.00 O ATOM 123 CB PHE A 11 -5.056 4.567 12.141 1.00 0.00 C ATOM 124 CG PHE A 11 -5.049 3.143 11.580 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.963 2.777 10.642 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.129 2.244 12.020 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.956 1.456 10.122 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.122 0.923 11.500 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.036 0.557 10.561 1.00 0.00 C ATOM 0 H PHE A 11 -4.798 4.645 9.402 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.510 6.615 11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.542 4.570 13.102 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.087 4.867 12.329 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.694 3.491 10.293 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.403 2.535 12.765 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.682 1.165 9.377 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.391 0.209 11.850 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.030 -0.448 10.165 1.00 0.00 H new ATOM 139 N PRO A 12 -2.094 6.168 11.785 1.00 0.00 N ATOM 140 CA PRO A 12 -0.650 6.003 11.777 1.00 0.00 C ATOM 141 C PRO A 12 -0.224 4.857 12.697 1.00 0.00 C ATOM 142 O PRO A 12 -0.722 4.736 13.815 1.00 0.00 O ATOM 143 CB PRO A 12 -0.097 7.350 12.212 1.00 0.00 C ATOM 144 CG PRO A 12 -1.249 8.073 12.892 1.00 0.00 C ATOM 145 CD PRO A 12 -2.531 7.330 12.554 1.00 0.00 C ATOM 0 HA PRO A 12 -0.264 5.727 10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.743 7.225 12.895 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.269 7.917 11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.098 8.102 13.971 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.306 9.107 12.551 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.065 7.030 13.456 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.210 7.955 11.975 1.00 0.00 H new ATOM 153 N VAL A 13 0.693 4.045 12.192 1.00 0.00 N ATOM 154 CA VAL A 13 1.191 2.913 12.954 1.00 0.00 C ATOM 155 C VAL A 13 2.721 2.951 12.975 1.00 0.00 C ATOM 156 O VAL A 13 3.361 2.904 11.926 1.00 0.00 O ATOM 157 CB VAL A 13 0.634 1.609 12.380 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.362 0.397 12.964 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.875 1.507 12.615 1.00 0.00 C ATOM 0 H VAL A 13 1.104 4.149 11.264 1.00 0.00 H new ATOM 0 HA VAL A 13 0.850 2.969 13.988 1.00 0.00 H new ATOM 0 HB VAL A 13 0.806 1.617 11.304 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.946 -0.517 12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.423 0.459 12.723 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.236 0.384 14.047 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.246 0.571 12.197 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.079 1.533 13.685 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.376 2.345 12.130 1.00 0.00 H new ATOM 169 N GLU A 14 3.262 3.037 14.182 1.00 0.00 N ATOM 170 CA GLU A 14 4.704 3.082 14.353 1.00 0.00 C ATOM 171 C GLU A 14 5.291 1.670 14.292 1.00 0.00 C ATOM 172 O GLU A 14 4.772 0.751 14.924 1.00 0.00 O ATOM 173 CB GLU A 14 5.079 3.775 15.664 1.00 0.00 C ATOM 174 CG GLU A 14 4.999 5.297 15.522 1.00 0.00 C ATOM 175 CD GLU A 14 4.176 5.911 16.656 1.00 0.00 C ATOM 176 OE1 GLU A 14 4.445 5.538 17.819 1.00 0.00 O ATOM 177 OE2 GLU A 14 3.296 6.738 16.335 1.00 0.00 O ATOM 0 H GLU A 14 2.728 3.077 15.050 1.00 0.00 H new ATOM 0 HA GLU A 14 5.129 3.666 13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.410 3.445 16.459 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.088 3.486 15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.004 5.720 15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.550 5.553 14.562 1.00 0.00 H new ATOM 184 N LEU A 15 6.364 1.542 13.526 1.00 0.00 N ATOM 185 CA LEU A 15 7.027 0.258 13.375 1.00 0.00 C ATOM 186 C LEU A 15 8.538 0.449 13.515 1.00 0.00 C ATOM 187 O LEU A 15 9.107 1.374 12.939 1.00 0.00 O ATOM 188 CB LEU A 15 6.610 -0.408 12.062 1.00 0.00 C ATOM 189 CG LEU A 15 5.811 -1.707 12.192 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.550 -2.330 10.820 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.506 -2.685 13.143 1.00 0.00 C ATOM 0 H LEU A 15 6.791 2.307 13.003 1.00 0.00 H new ATOM 0 HA LEU A 15 6.718 -0.426 14.165 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.016 0.304 11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.509 -0.614 11.481 1.00 0.00 H new ATOM 0 HG LEU A 15 4.840 -1.469 12.627 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.981 -3.252 10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.983 -1.631 10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.500 -2.552 10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.918 -3.600 13.218 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.498 -2.922 12.760 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.597 -2.231 14.130 1.00 0.00 H new ATOM 203 N GLU A 16 9.146 -0.442 14.285 1.00 0.00 N ATOM 204 CA GLU A 16 10.580 -0.383 14.509 1.00 0.00 C ATOM 205 C GLU A 16 11.296 -1.418 13.638 1.00 0.00 C ATOM 206 O GLU A 16 11.007 -2.611 13.720 1.00 0.00 O ATOM 207 CB GLU A 16 10.914 -0.587 15.988 1.00 0.00 C ATOM 208 CG GLU A 16 11.410 0.714 16.622 1.00 0.00 C ATOM 209 CD GLU A 16 12.140 0.438 17.939 1.00 0.00 C ATOM 210 OE1 GLU A 16 13.141 -0.308 17.887 1.00 0.00 O ATOM 211 OE2 GLU A 16 11.679 0.980 18.967 1.00 0.00 O ATOM 0 H GLU A 16 8.671 -1.209 14.761 1.00 0.00 H new ATOM 0 HA GLU A 16 10.931 0.609 14.225 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.030 -0.941 16.519 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.677 -1.359 16.089 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.079 1.227 15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.566 1.380 16.802 1.00 0.00 H new ATOM 218 N LYS A 17 12.217 -0.923 12.824 1.00 0.00 N ATOM 219 CA LYS A 17 12.976 -1.790 11.938 1.00 0.00 C ATOM 220 C LYS A 17 13.767 -2.799 12.774 1.00 0.00 C ATOM 221 O LYS A 17 14.141 -2.511 13.910 1.00 0.00 O ATOM 222 CB LYS A 17 13.846 -0.960 10.992 1.00 0.00 C ATOM 223 CG LYS A 17 13.033 -0.462 9.796 1.00 0.00 C ATOM 224 CD LYS A 17 13.935 0.216 8.763 1.00 0.00 C ATOM 225 CE LYS A 17 13.345 0.097 7.356 1.00 0.00 C ATOM 226 NZ LYS A 17 14.276 0.661 6.354 1.00 0.00 N ATOM 0 H LYS A 17 12.455 0.067 12.759 1.00 0.00 H new ATOM 0 HA LYS A 17 12.305 -2.362 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.266 -0.110 11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.685 -1.562 10.641 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.510 -1.299 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.272 0.240 10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.062 1.268 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.925 -0.239 8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.145 -0.950 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.391 0.621 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.807 0.697 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.553 1.622 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.123 0.061 6.291 1.00 0.00 H new ATOM 240 N ASP A 18 13.998 -3.960 12.179 1.00 0.00 N ATOM 241 CA ASP A 18 14.737 -5.013 12.855 1.00 0.00 C ATOM 242 C ASP A 18 15.916 -5.444 11.980 1.00 0.00 C ATOM 243 O ASP A 18 16.063 -4.972 10.854 1.00 0.00 O ATOM 244 CB ASP A 18 13.854 -6.238 13.097 1.00 0.00 C ATOM 245 CG ASP A 18 12.362 -6.022 12.833 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.771 -5.196 13.561 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.847 -6.688 11.909 1.00 0.00 O ATOM 0 H ASP A 18 13.687 -4.195 11.236 1.00 0.00 H new ATOM 0 HA ASP A 18 15.081 -4.623 13.813 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.206 -7.052 12.463 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.982 -6.561 14.130 1.00 0.00 H new ATOM 252 N GLU A 19 16.725 -6.337 12.531 1.00 0.00 N ATOM 253 CA GLU A 19 17.885 -6.838 11.815 1.00 0.00 C ATOM 254 C GLU A 19 17.540 -7.073 10.343 1.00 0.00 C ATOM 255 O GLU A 19 18.407 -6.978 9.475 1.00 0.00 O ATOM 256 CB GLU A 19 18.421 -8.116 12.463 1.00 0.00 C ATOM 257 CG GLU A 19 17.315 -9.164 12.604 1.00 0.00 C ATOM 258 CD GLU A 19 16.796 -9.223 14.043 1.00 0.00 C ATOM 259 OE1 GLU A 19 17.648 -9.164 14.956 1.00 0.00 O ATOM 260 OE2 GLU A 19 15.560 -9.325 14.197 1.00 0.00 O ATOM 0 H GLU A 19 16.600 -6.726 13.465 1.00 0.00 H new ATOM 0 HA GLU A 19 18.672 -6.086 11.868 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.235 -8.520 11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.835 -7.885 13.444 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.495 -8.926 11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.696 -10.142 12.311 1.00 0.00 H new ATOM 267 N ASP A 20 16.272 -7.376 10.106 1.00 0.00 N ATOM 268 CA ASP A 20 15.802 -7.626 8.754 1.00 0.00 C ATOM 269 C ASP A 20 14.742 -6.585 8.388 1.00 0.00 C ATOM 270 O ASP A 20 13.651 -6.936 7.939 1.00 0.00 O ATOM 271 CB ASP A 20 15.163 -9.011 8.640 1.00 0.00 C ATOM 272 CG ASP A 20 15.088 -9.574 7.219 1.00 0.00 C ATOM 273 OD1 ASP A 20 14.094 -9.250 6.533 1.00 0.00 O ATOM 274 OD2 ASP A 20 16.025 -10.314 6.852 1.00 0.00 O ATOM 0 H ASP A 20 15.555 -7.454 10.828 1.00 0.00 H new ATOM 0 HA ASP A 20 16.659 -7.568 8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.727 -9.707 9.261 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.154 -8.964 9.050 1.00 0.00 H new ATOM 279 N GLY A 21 15.099 -5.326 8.592 1.00 0.00 N ATOM 280 CA GLY A 21 14.192 -4.232 8.289 1.00 0.00 C ATOM 281 C GLY A 21 12.865 -4.398 9.031 1.00 0.00 C ATOM 282 O GLY A 21 12.841 -4.853 10.174 1.00 0.00 O ATOM 0 H GLY A 21 16.004 -5.039 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.653 -3.285 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.010 -4.193 7.215 1.00 0.00 H new ATOM 286 N LEU A 22 11.792 -4.021 8.351 1.00 0.00 N ATOM 287 CA LEU A 22 10.464 -4.122 8.932 1.00 0.00 C ATOM 288 C LEU A 22 10.063 -5.596 9.021 1.00 0.00 C ATOM 289 O LEU A 22 9.752 -6.094 10.102 1.00 0.00 O ATOM 290 CB LEU A 22 9.470 -3.261 8.150 1.00 0.00 C ATOM 291 CG LEU A 22 9.954 -1.862 7.763 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.339 -1.416 6.435 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.684 -0.858 8.886 1.00 0.00 C ATOM 0 H LEU A 22 11.815 -3.645 7.403 1.00 0.00 H new ATOM 0 HA LEU A 22 10.461 -3.728 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.196 -3.794 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.562 -3.158 8.745 1.00 0.00 H new ATOM 0 HG LEU A 22 11.034 -1.902 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.700 -0.419 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.626 -2.114 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.253 -1.397 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.038 0.128 8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.613 -0.814 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.209 -1.172 9.788 1.00 0.00 H new ATOM 305 N GLY A 23 10.081 -6.252 7.870 1.00 0.00 N ATOM 306 CA GLY A 23 9.723 -7.659 7.805 1.00 0.00 C ATOM 307 C GLY A 23 8.267 -7.834 7.371 1.00 0.00 C ATOM 308 O GLY A 23 7.505 -8.553 8.017 1.00 0.00 O ATOM 0 H GLY A 23 10.338 -5.835 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.380 -8.173 7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.874 -8.122 8.780 1.00 0.00 H new ATOM 312 N ILE A 24 7.923 -7.165 6.281 1.00 0.00 N ATOM 313 CA ILE A 24 6.571 -7.238 5.753 1.00 0.00 C ATOM 314 C ILE A 24 6.623 -7.230 4.224 1.00 0.00 C ATOM 315 O ILE A 24 7.603 -6.775 3.636 1.00 0.00 O ATOM 316 CB ILE A 24 5.704 -6.125 6.345 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.565 -4.952 6.819 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.805 -6.663 7.460 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.737 -3.671 6.925 1.00 0.00 C ATOM 0 H ILE A 24 8.557 -6.569 5.748 1.00 0.00 H new ATOM 0 HA ILE A 24 6.096 -8.173 6.051 1.00 0.00 H new ATOM 0 HB ILE A 24 5.050 -5.748 5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.003 -5.187 7.789 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.391 -4.799 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.200 -5.851 7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.152 -7.438 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.422 -7.084 8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.373 -2.853 7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.320 -3.425 5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.927 -3.820 7.639 1.00 0.00 H new ATOM 331 N SER A 25 5.557 -7.738 3.624 1.00 0.00 N ATOM 332 CA SER A 25 5.469 -7.795 2.175 1.00 0.00 C ATOM 333 C SER A 25 4.416 -6.804 1.675 1.00 0.00 C ATOM 334 O SER A 25 3.483 -6.465 2.402 1.00 0.00 O ATOM 335 CB SER A 25 5.135 -9.210 1.699 1.00 0.00 C ATOM 336 OG SER A 25 5.954 -10.192 2.327 1.00 0.00 O ATOM 0 H SER A 25 4.746 -8.114 4.115 1.00 0.00 H new ATOM 0 HA SER A 25 6.440 -7.522 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.087 -9.425 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.263 -9.269 0.618 1.00 0.00 H new ATOM 0 HG SER A 25 5.946 -11.014 1.793 1.00 0.00 H new ATOM 342 N ILE A 26 4.601 -6.367 0.438 1.00 0.00 N ATOM 343 CA ILE A 26 3.678 -5.422 -0.167 1.00 0.00 C ATOM 344 C ILE A 26 3.307 -5.905 -1.571 1.00 0.00 C ATOM 345 O ILE A 26 4.059 -6.656 -2.191 1.00 0.00 O ATOM 346 CB ILE A 26 4.264 -4.009 -0.139 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.563 -3.937 -0.943 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.453 -3.523 1.300 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.611 -2.666 -1.794 1.00 0.00 C ATOM 0 H ILE A 26 5.376 -6.650 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 26 2.753 -5.371 0.408 1.00 0.00 H new ATOM 0 HB ILE A 26 3.553 -3.335 -0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.416 -3.957 -0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.646 -4.813 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.871 -2.516 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.490 -3.512 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.133 -4.194 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.545 -2.639 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.770 -2.660 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.552 -1.792 -1.146 1.00 0.00 H new ATOM 361 N ILE A 27 2.149 -5.455 -2.030 1.00 0.00 N ATOM 362 CA ILE A 27 1.669 -5.833 -3.349 1.00 0.00 C ATOM 363 C ILE A 27 1.166 -4.586 -4.080 1.00 0.00 C ATOM 364 O ILE A 27 0.547 -3.714 -3.473 1.00 0.00 O ATOM 365 CB ILE A 27 0.625 -6.946 -3.241 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.287 -6.963 -4.469 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.170 -6.828 -1.938 1.00 0.00 C ATOM 368 CD1 ILE A 27 -1.005 -8.307 -4.600 1.00 0.00 C ATOM 0 H ILE A 27 1.529 -4.832 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 27 2.481 -6.247 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 27 1.147 -7.902 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.021 -6.161 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.302 -6.772 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.905 -7.631 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.510 -6.903 -1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.681 -5.866 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.647 -8.292 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.269 -9.105 -4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.612 -8.483 -3.712 1.00 0.00 H new ATOM 380 N GLY A 28 1.451 -4.543 -5.373 1.00 0.00 N ATOM 381 CA GLY A 28 1.035 -3.417 -6.193 1.00 0.00 C ATOM 382 C GLY A 28 -0.257 -3.737 -6.948 1.00 0.00 C ATOM 383 O GLY A 28 -0.289 -4.648 -7.773 1.00 0.00 O ATOM 0 H GLY A 28 1.964 -5.269 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.885 -2.540 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.824 -3.169 -6.903 1.00 0.00 H new ATOM 387 N MET A 29 -1.291 -2.969 -6.638 1.00 0.00 N ATOM 388 CA MET A 29 -2.582 -3.158 -7.276 1.00 0.00 C ATOM 389 C MET A 29 -3.171 -1.821 -7.730 1.00 0.00 C ATOM 390 O MET A 29 -2.838 -0.773 -7.178 1.00 0.00 O ATOM 391 CB MET A 29 -3.543 -3.833 -6.295 1.00 0.00 C ATOM 392 CG MET A 29 -2.953 -5.140 -5.762 1.00 0.00 C ATOM 393 SD MET A 29 -3.781 -6.534 -6.510 1.00 0.00 S ATOM 394 CE MET A 29 -4.716 -7.126 -5.110 1.00 0.00 C ATOM 0 H MET A 29 -1.261 -2.214 -5.953 1.00 0.00 H new ATOM 0 HA MET A 29 -2.443 -3.789 -8.154 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.753 -3.159 -5.464 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.493 -4.034 -6.791 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.886 -5.182 -5.979 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.060 -5.182 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.296 -8.001 -5.403 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.033 -7.396 -4.305 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.391 -6.342 -4.766 1.00 0.00 H new ATOM 404 N GLY A 30 -4.036 -1.901 -8.730 1.00 0.00 N ATOM 405 CA GLY A 30 -4.675 -0.710 -9.264 1.00 0.00 C ATOM 406 C GLY A 30 -6.066 -0.514 -8.656 1.00 0.00 C ATOM 407 O GLY A 30 -7.012 -1.207 -9.027 1.00 0.00 O ATOM 0 H GLY A 30 -4.310 -2.772 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.057 0.163 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.756 -0.792 -10.348 1.00 0.00 H new ATOM 411 N VAL A 31 -6.146 0.433 -7.733 1.00 0.00 N ATOM 412 CA VAL A 31 -7.405 0.728 -7.071 1.00 0.00 C ATOM 413 C VAL A 31 -8.219 1.690 -7.939 1.00 0.00 C ATOM 414 O VAL A 31 -7.668 2.618 -8.528 1.00 0.00 O ATOM 415 CB VAL A 31 -7.142 1.269 -5.664 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.307 0.945 -4.726 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.823 0.729 -5.107 1.00 0.00 C ATOM 0 H VAL A 31 -5.359 1.006 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.995 -0.180 -6.950 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.058 2.354 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.095 1.340 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.220 1.399 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.436 -0.136 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.660 1.129 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.866 -0.359 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.002 1.032 -5.757 1.00 0.00 H new ATOM 492 N GLU A 38 -7.074 5.815 -12.248 1.00 0.00 N ATOM 493 CA GLU A 38 -6.538 4.684 -11.510 1.00 0.00 C ATOM 494 C GLU A 38 -5.504 5.160 -10.487 1.00 0.00 C ATOM 495 O GLU A 38 -4.635 5.970 -10.808 1.00 0.00 O ATOM 496 CB GLU A 38 -5.933 3.647 -12.459 1.00 0.00 C ATOM 497 CG GLU A 38 -4.711 4.214 -13.183 1.00 0.00 C ATOM 498 CD GLU A 38 -4.162 3.210 -14.200 1.00 0.00 C ATOM 499 OE1 GLU A 38 -4.630 3.261 -15.357 1.00 0.00 O ATOM 500 OE2 GLU A 38 -3.286 2.415 -13.796 1.00 0.00 O ATOM 0 HA GLU A 38 -7.357 4.204 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.647 2.758 -11.897 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.681 3.336 -13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.982 5.140 -13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.937 4.463 -12.457 1.00 0.00 H new ATOM 507 N LYS A 39 -5.632 4.637 -9.277 1.00 0.00 N ATOM 508 CA LYS A 39 -4.719 4.999 -8.205 1.00 0.00 C ATOM 509 C LYS A 39 -4.128 3.727 -7.594 1.00 0.00 C ATOM 510 O LYS A 39 -4.749 3.099 -6.737 1.00 0.00 O ATOM 511 CB LYS A 39 -5.418 5.903 -7.188 1.00 0.00 C ATOM 512 CG LYS A 39 -5.336 7.371 -7.612 1.00 0.00 C ATOM 513 CD LYS A 39 -4.617 8.208 -6.553 1.00 0.00 C ATOM 514 CE LYS A 39 -5.154 9.640 -6.528 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.537 10.406 -5.422 1.00 0.00 N ATOM 0 H LYS A 39 -6.354 3.966 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.885 5.583 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.462 5.607 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.958 5.778 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.809 7.450 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.340 7.764 -7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.747 7.750 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.547 8.221 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.944 10.130 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.237 9.626 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.913 11.376 -5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.759 9.947 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.506 10.435 -5.553 1.00 0.00 H new ATOM 529 N LEU A 40 -2.936 3.384 -8.058 1.00 0.00 N ATOM 530 CA LEU A 40 -2.254 2.198 -7.567 1.00 0.00 C ATOM 531 C LEU A 40 -2.299 2.186 -6.038 1.00 0.00 C ATOM 532 O LEU A 40 -1.991 3.189 -5.396 1.00 0.00 O ATOM 533 CB LEU A 40 -0.839 2.117 -8.141 1.00 0.00 C ATOM 534 CG LEU A 40 -0.370 0.727 -8.577 1.00 0.00 C ATOM 535 CD1 LEU A 40 -0.172 -0.188 -7.367 1.00 0.00 C ATOM 536 CD2 LEU A 40 -1.329 0.122 -9.603 1.00 0.00 C ATOM 0 H LEU A 40 -2.424 3.906 -8.769 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.763 1.297 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.778 2.785 -9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.143 2.495 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 40 0.599 0.830 -9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.161 -1.170 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.579 0.242 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.115 -0.290 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.973 -0.866 -9.896 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.323 0.034 -9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.376 0.766 -10.481 1.00 0.00 H new ATOM 548 N GLY A 41 -2.685 1.039 -5.498 1.00 0.00 N ATOM 549 CA GLY A 41 -2.774 0.883 -4.056 1.00 0.00 C ATOM 550 C GLY A 41 -1.765 -0.152 -3.553 1.00 0.00 C ATOM 551 O GLY A 41 -1.795 -1.308 -3.972 1.00 0.00 O ATOM 0 H GLY A 41 -2.940 0.209 -6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.590 1.842 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.783 0.576 -3.781 1.00 0.00 H new ATOM 555 N ILE A 42 -0.896 0.302 -2.662 1.00 0.00 N ATOM 556 CA ILE A 42 0.120 -0.570 -2.098 1.00 0.00 C ATOM 557 C ILE A 42 -0.463 -1.314 -0.895 1.00 0.00 C ATOM 558 O ILE A 42 -0.624 -0.736 0.179 1.00 0.00 O ATOM 559 CB ILE A 42 1.388 0.224 -1.775 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.729 1.197 -2.905 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.554 -0.712 -1.453 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.040 0.445 -4.200 1.00 0.00 C ATOM 0 H ILE A 42 -0.874 1.262 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 42 0.421 -1.325 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 42 1.199 0.821 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.894 1.878 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.586 1.806 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.442 -0.122 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.299 -1.328 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.753 -1.354 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.279 1.160 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.891 -0.218 -4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.172 -0.144 -4.496 1.00 0.00 H new ATOM 574 N PHE A 43 -0.763 -2.586 -1.115 1.00 0.00 N ATOM 575 CA PHE A 43 -1.325 -3.415 -0.063 1.00 0.00 C ATOM 576 C PHE A 43 -0.276 -4.378 0.495 1.00 0.00 C ATOM 577 O PHE A 43 0.764 -4.597 -0.125 1.00 0.00 O ATOM 578 CB PHE A 43 -2.462 -4.225 -0.690 1.00 0.00 C ATOM 579 CG PHE A 43 -3.585 -3.369 -1.279 1.00 0.00 C ATOM 580 CD1 PHE A 43 -3.524 -2.967 -2.577 1.00 0.00 C ATOM 581 CD2 PHE A 43 -4.643 -3.009 -0.504 1.00 0.00 C ATOM 582 CE1 PHE A 43 -4.566 -2.173 -3.124 1.00 0.00 C ATOM 583 CE2 PHE A 43 -5.685 -2.214 -1.051 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.625 -1.813 -2.349 1.00 0.00 C ATOM 0 H PHE A 43 -0.627 -3.062 -2.007 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.676 -2.788 0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.052 -4.859 -1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.883 -4.887 0.067 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.683 -3.252 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.691 -3.328 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.518 -1.855 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.525 -1.928 -0.436 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.418 -1.209 -2.765 1.00 0.00 H new ATOM 594 N VAL A 44 -0.584 -4.929 1.660 1.00 0.00 N ATOM 595 CA VAL A 44 0.319 -5.864 2.309 1.00 0.00 C ATOM 596 C VAL A 44 0.024 -7.280 1.811 1.00 0.00 C ATOM 597 O VAL A 44 -1.017 -7.851 2.133 1.00 0.00 O ATOM 598 CB VAL A 44 0.209 -5.730 3.829 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.930 -6.879 4.535 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.743 -4.376 4.300 1.00 0.00 C ATOM 0 H VAL A 44 -1.447 -4.745 2.172 1.00 0.00 H new ATOM 0 HA VAL A 44 1.353 -5.637 2.051 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.847 -5.785 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.836 -6.759 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.484 -7.827 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.985 -6.871 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.653 -4.307 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.791 -4.279 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.166 -3.576 3.836 1.00 0.00 H new ATOM 610 N LYS A 45 0.960 -7.807 1.034 1.00 0.00 N ATOM 611 CA LYS A 45 0.813 -9.145 0.488 1.00 0.00 C ATOM 612 C LYS A 45 0.781 -10.158 1.635 1.00 0.00 C ATOM 613 O LYS A 45 -0.010 -11.099 1.615 1.00 0.00 O ATOM 614 CB LYS A 45 1.903 -9.424 -0.548 1.00 0.00 C ATOM 615 CG LYS A 45 1.896 -10.894 -0.970 1.00 0.00 C ATOM 616 CD LYS A 45 0.631 -11.231 -1.762 1.00 0.00 C ATOM 617 CE LYS A 45 0.799 -12.542 -2.533 1.00 0.00 C ATOM 618 NZ LYS A 45 1.239 -12.274 -3.921 1.00 0.00 N ATOM 0 H LYS A 45 1.823 -7.331 0.770 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.133 -9.237 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.750 -8.791 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.878 -9.166 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.776 -11.106 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.957 -11.530 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.217 -11.311 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.407 -10.422 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.529 -13.176 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.144 -13.088 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.348 -13.174 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.529 -11.687 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.150 -11.772 -3.906 1.00 0.00 H new ATOM 632 N THR A 46 1.652 -9.930 2.607 1.00 0.00 N ATOM 633 CA THR A 46 1.734 -10.811 3.760 1.00 0.00 C ATOM 634 C THR A 46 2.633 -10.199 4.836 1.00 0.00 C ATOM 635 O THR A 46 3.200 -9.126 4.639 1.00 0.00 O ATOM 636 CB THR A 46 2.212 -12.181 3.275 1.00 0.00 C ATOM 637 OG1 THR A 46 2.378 -12.935 4.473 1.00 0.00 O ATOM 638 CG2 THR A 46 3.617 -12.131 2.670 1.00 0.00 C ATOM 0 H THR A 46 2.307 -9.148 2.620 1.00 0.00 H new ATOM 0 HA THR A 46 0.759 -10.939 4.230 1.00 0.00 H new ATOM 0 HB THR A 46 1.511 -12.568 2.535 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.685 -13.839 4.251 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.908 -13.129 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.622 -11.453 1.817 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.324 -11.776 3.420 1.00 0.00 H new ATOM 646 N VAL A 47 2.736 -10.909 5.950 1.00 0.00 N ATOM 647 CA VAL A 47 3.556 -10.449 7.057 1.00 0.00 C ATOM 648 C VAL A 47 4.453 -11.595 7.532 1.00 0.00 C ATOM 649 O VAL A 47 3.962 -12.660 7.902 1.00 0.00 O ATOM 650 CB VAL A 47 2.668 -9.886 8.169 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.497 -9.520 9.401 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.864 -8.684 7.671 1.00 0.00 C ATOM 0 H VAL A 47 2.265 -11.800 6.109 1.00 0.00 H new ATOM 0 HA VAL A 47 4.208 -9.636 6.737 1.00 0.00 H new ATOM 0 HB VAL A 47 1.962 -10.664 8.461 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.841 -9.122 10.176 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.004 -10.409 9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.237 -8.767 9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.241 -8.302 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.547 -7.902 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.230 -8.990 6.839 1.00 0.00 H new ATOM 662 N THR A 48 5.752 -11.336 7.505 1.00 0.00 N ATOM 663 CA THR A 48 6.722 -12.332 7.927 1.00 0.00 C ATOM 664 C THR A 48 6.398 -12.828 9.338 1.00 0.00 C ATOM 665 O THR A 48 6.123 -12.030 10.233 1.00 0.00 O ATOM 666 CB THR A 48 8.117 -11.715 7.806 1.00 0.00 C ATOM 667 OG1 THR A 48 8.470 -11.920 6.441 1.00 0.00 O ATOM 668 CG2 THR A 48 9.174 -12.500 8.586 1.00 0.00 C ATOM 0 H THR A 48 6.155 -10.451 7.198 1.00 0.00 H new ATOM 0 HA THR A 48 6.685 -13.215 7.289 1.00 0.00 H new ATOM 0 HB THR A 48 8.091 -10.686 8.164 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.361 -11.548 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.145 -12.020 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.906 -12.520 9.642 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.224 -13.520 8.205 1.00 0.00 H new ATOM 676 N GLU A 49 6.440 -14.143 9.493 1.00 0.00 N ATOM 677 CA GLU A 49 6.154 -14.755 10.779 1.00 0.00 C ATOM 678 C GLU A 49 7.259 -14.420 11.784 1.00 0.00 C ATOM 679 O GLU A 49 8.288 -15.093 11.827 1.00 0.00 O ATOM 680 CB GLU A 49 5.980 -16.269 10.640 1.00 0.00 C ATOM 681 CG GLU A 49 4.732 -16.747 11.385 1.00 0.00 C ATOM 682 CD GLU A 49 4.343 -18.162 10.950 1.00 0.00 C ATOM 683 OE1 GLU A 49 4.517 -18.453 9.747 1.00 0.00 O ATOM 684 OE2 GLU A 49 3.880 -18.919 11.830 1.00 0.00 O ATOM 0 H GLU A 49 6.668 -14.802 8.749 1.00 0.00 H new ATOM 0 HA GLU A 49 5.214 -14.347 11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.903 -16.535 9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.860 -16.778 11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.917 -16.731 12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.905 -16.063 11.193 1.00 0.00 H new ATOM 691 N GLY A 50 7.008 -13.382 12.567 1.00 0.00 N ATOM 692 CA GLY A 50 7.968 -12.950 13.568 1.00 0.00 C ATOM 693 C GLY A 50 8.625 -11.629 13.164 1.00 0.00 C ATOM 694 O GLY A 50 9.658 -11.250 13.715 1.00 0.00 O ATOM 0 H GLY A 50 6.153 -12.827 12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.468 -12.832 14.529 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.733 -13.716 13.698 1.00 0.00 H new ATOM 698 N GLY A 51 7.999 -10.962 12.205 1.00 0.00 N ATOM 699 CA GLY A 51 8.510 -9.691 11.720 1.00 0.00 C ATOM 700 C GLY A 51 8.102 -8.546 12.650 1.00 0.00 C ATOM 701 O GLY A 51 7.333 -8.748 13.589 1.00 0.00 O ATOM 0 H GLY A 51 7.142 -11.278 11.751 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.597 -9.736 11.647 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.131 -9.502 10.716 1.00 0.00 H new ATOM 705 N ALA A 52 8.635 -7.370 12.356 1.00 0.00 N ATOM 706 CA ALA A 52 8.336 -6.193 13.154 1.00 0.00 C ATOM 707 C ALA A 52 6.841 -5.883 13.058 1.00 0.00 C ATOM 708 O ALA A 52 6.193 -5.616 14.069 1.00 0.00 O ATOM 709 CB ALA A 52 9.205 -5.024 12.684 1.00 0.00 C ATOM 0 H ALA A 52 9.272 -7.206 11.576 1.00 0.00 H new ATOM 0 HA ALA A 52 8.569 -6.372 14.204 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.981 -4.141 13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.257 -5.283 12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.996 -4.814 11.635 1.00 0.00 H new ATOM 715 N ALA A 53 6.337 -5.930 11.834 1.00 0.00 N ATOM 716 CA ALA A 53 4.930 -5.658 11.593 1.00 0.00 C ATOM 717 C ALA A 53 4.085 -6.759 12.236 1.00 0.00 C ATOM 718 O ALA A 53 2.984 -6.499 12.719 1.00 0.00 O ATOM 719 CB ALA A 53 4.683 -5.538 10.088 1.00 0.00 C ATOM 0 H ALA A 53 6.878 -6.152 10.998 1.00 0.00 H new ATOM 0 HA ALA A 53 4.639 -4.711 12.047 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.628 -5.334 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.284 -4.723 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.961 -6.471 9.598 1.00 0.00 H new ATOM 725 N GLN A 54 4.632 -7.965 12.222 1.00 0.00 N ATOM 726 CA GLN A 54 3.942 -9.107 12.799 1.00 0.00 C ATOM 727 C GLN A 54 3.840 -8.954 14.318 1.00 0.00 C ATOM 728 O GLN A 54 2.741 -8.924 14.870 1.00 0.00 O ATOM 729 CB GLN A 54 4.640 -10.416 12.425 1.00 0.00 C ATOM 730 CG GLN A 54 3.667 -11.594 12.489 1.00 0.00 C ATOM 731 CD GLN A 54 3.666 -12.229 13.881 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.842 -11.570 14.893 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.459 -13.543 13.876 1.00 0.00 N ATOM 0 H GLN A 54 5.545 -8.177 11.820 1.00 0.00 H new ATOM 0 HA GLN A 54 2.933 -9.142 12.389 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.055 -10.337 11.420 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.476 -10.593 13.102 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.662 -11.254 12.240 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.945 -12.341 11.745 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.319 -14.034 12.993 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.441 -14.060 14.755 1.00 0.00 H new ATOM 742 N ARG A 55 5.001 -8.861 14.950 1.00 0.00 N ATOM 743 CA ARG A 55 5.056 -8.712 16.394 1.00 0.00 C ATOM 744 C ARG A 55 4.069 -7.638 16.856 1.00 0.00 C ATOM 745 O ARG A 55 3.295 -7.859 17.785 1.00 0.00 O ATOM 746 CB ARG A 55 6.465 -8.333 16.855 1.00 0.00 C ATOM 747 CG ARG A 55 7.314 -9.581 17.108 1.00 0.00 C ATOM 748 CD ARG A 55 8.787 -9.314 16.791 1.00 0.00 C ATOM 749 NE ARG A 55 9.171 -7.967 17.266 1.00 0.00 N ATOM 750 CZ ARG A 55 10.409 -7.462 17.173 1.00 0.00 C ATOM 751 NH1 ARG A 55 11.390 -8.190 16.621 1.00 0.00 N ATOM 752 NH2 ARG A 55 10.666 -6.229 17.631 1.00 0.00 N ATOM 0 H ARG A 55 5.910 -8.886 14.489 1.00 0.00 H new ATOM 0 HA ARG A 55 4.787 -9.671 16.836 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.944 -7.710 16.099 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.406 -7.738 17.767 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.212 -9.890 18.148 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.949 -10.404 16.494 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.413 -10.069 17.268 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.956 -9.392 15.717 1.00 0.00 H new ATOM 0 HE ARG A 55 8.448 -7.386 17.691 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.194 -9.128 16.272 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.332 -7.806 16.550 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.919 -5.675 18.050 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.608 -5.845 17.560 1.00 0.00 H new ATOM 766 N ASP A 56 4.129 -6.497 16.184 1.00 0.00 N ATOM 767 CA ASP A 56 3.251 -5.388 16.513 1.00 0.00 C ATOM 768 C ASP A 56 1.800 -5.873 16.509 1.00 0.00 C ATOM 769 O ASP A 56 1.068 -5.660 17.474 1.00 0.00 O ATOM 770 CB ASP A 56 3.375 -4.262 15.484 1.00 0.00 C ATOM 771 CG ASP A 56 2.788 -2.919 15.921 1.00 0.00 C ATOM 772 OD1 ASP A 56 2.020 -2.929 16.908 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.121 -1.912 15.259 1.00 0.00 O ATOM 0 H ASP A 56 4.772 -6.317 15.413 1.00 0.00 H new ATOM 0 HA ASP A 56 3.537 -5.012 17.495 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.430 -4.121 15.248 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.881 -4.575 14.564 1.00 0.00 H new ATOM 778 N GLY A 57 1.428 -6.517 15.413 1.00 0.00 N ATOM 779 CA GLY A 57 0.078 -7.035 15.270 1.00 0.00 C ATOM 780 C GLY A 57 -0.834 -6.009 14.594 1.00 0.00 C ATOM 781 O GLY A 57 -1.756 -6.377 13.867 1.00 0.00 O ATOM 0 H GLY A 57 2.038 -6.692 14.615 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.097 -7.953 14.682 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.322 -7.293 16.251 1.00 0.00 H new ATOM 785 N ARG A 58 -0.545 -4.743 14.857 1.00 0.00 N ATOM 786 CA ARG A 58 -1.328 -3.662 14.283 1.00 0.00 C ATOM 787 C ARG A 58 -1.513 -3.881 12.780 1.00 0.00 C ATOM 788 O ARG A 58 -2.627 -4.122 12.317 1.00 0.00 O ATOM 789 CB ARG A 58 -0.652 -2.309 14.515 1.00 0.00 C ATOM 790 CG ARG A 58 -1.580 -1.354 15.267 1.00 0.00 C ATOM 791 CD ARG A 58 -3.008 -1.435 14.724 1.00 0.00 C ATOM 792 NE ARG A 58 -2.981 -1.669 13.263 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.058 -1.989 12.533 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.254 -2.116 13.124 1.00 0.00 N ATOM 795 NH2 ARG A 58 -3.939 -2.183 11.212 1.00 0.00 N ATOM 0 H ARG A 58 0.221 -4.442 15.460 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.300 -3.659 14.776 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.268 -2.451 15.083 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.371 -1.870 13.558 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.577 -1.599 16.329 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.209 -0.333 15.174 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.549 -2.241 15.220 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.542 -0.510 14.943 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.086 -1.581 12.781 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.344 -1.969 14.129 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.074 -2.360 12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.028 -2.087 10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.759 -2.427 10.656 1.00 0.00 H new ATOM 809 N ILE A 59 -0.405 -3.790 12.060 1.00 0.00 N ATOM 810 CA ILE A 59 -0.431 -3.975 10.619 1.00 0.00 C ATOM 811 C ILE A 59 -0.777 -5.432 10.303 1.00 0.00 C ATOM 812 O ILE A 59 -0.173 -6.351 10.853 1.00 0.00 O ATOM 813 CB ILE A 59 0.885 -3.506 9.995 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.117 -2.017 10.259 1.00 0.00 C ATOM 815 CG2 ILE A 59 0.932 -3.837 8.502 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.579 -1.638 10.011 1.00 0.00 C ATOM 0 H ILE A 59 0.517 -3.590 12.448 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.208 -3.357 10.169 1.00 0.00 H new ATOM 0 HB ILE A 59 1.701 -4.049 10.471 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.469 -1.424 9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.845 -1.780 11.288 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.878 -3.493 8.083 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.845 -4.915 8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.107 -3.339 7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.717 -0.574 10.206 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.222 -2.215 10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.840 -1.854 8.975 1.00 0.00 H new ATOM 828 N GLN A 60 -1.748 -5.597 9.417 1.00 0.00 N ATOM 829 CA GLN A 60 -2.182 -6.926 9.021 1.00 0.00 C ATOM 830 C GLN A 60 -2.069 -7.091 7.504 1.00 0.00 C ATOM 831 O GLN A 60 -1.869 -6.114 6.783 1.00 0.00 O ATOM 832 CB GLN A 60 -3.609 -7.201 9.497 1.00 0.00 C ATOM 833 CG GLN A 60 -3.935 -6.390 10.753 1.00 0.00 C ATOM 834 CD GLN A 60 -5.366 -6.658 11.223 1.00 0.00 C ATOM 835 OE1 GLN A 60 -6.079 -7.488 10.684 1.00 0.00 O ATOM 836 NE2 GLN A 60 -5.744 -5.911 12.257 1.00 0.00 N ATOM 0 H GLN A 60 -2.247 -4.832 8.962 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.528 -7.657 9.496 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.315 -6.951 8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.728 -8.264 9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.234 -6.646 11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.809 -5.327 10.547 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.097 -5.234 12.661 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.681 -6.015 12.646 1.00 0.00 H new ATOM 845 N VAL A 61 -2.201 -8.334 7.064 1.00 0.00 N ATOM 846 CA VAL A 61 -2.115 -8.639 5.646 1.00 0.00 C ATOM 847 C VAL A 61 -3.349 -8.081 4.934 1.00 0.00 C ATOM 848 O VAL A 61 -4.413 -7.950 5.538 1.00 0.00 O ATOM 849 CB VAL A 61 -1.939 -10.145 5.445 1.00 0.00 C ATOM 850 CG1 VAL A 61 -1.976 -10.508 3.959 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.646 -10.638 6.098 1.00 0.00 C ATOM 0 H VAL A 61 -2.367 -9.142 7.665 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.240 -8.161 5.204 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.774 -10.648 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.849 -11.584 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.935 -10.209 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.171 -9.990 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.545 -11.712 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.206 -10.124 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.676 -10.430 7.167 1.00 0.00 H new ATOM 861 N ASN A 62 -3.167 -7.768 3.660 1.00 0.00 N ATOM 862 CA ASN A 62 -4.252 -7.228 2.859 1.00 0.00 C ATOM 863 C ASN A 62 -4.449 -5.750 3.205 1.00 0.00 C ATOM 864 O ASN A 62 -5.313 -5.085 2.635 1.00 0.00 O ATOM 865 CB ASN A 62 -5.565 -7.959 3.144 1.00 0.00 C ATOM 866 CG ASN A 62 -5.344 -9.471 3.220 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.146 -10.147 2.224 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.389 -9.963 4.455 1.00 0.00 N ATOM 0 H ASN A 62 -2.284 -7.878 3.162 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.990 -7.354 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.988 -7.602 4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.289 -7.732 2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.254 -10.962 4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.559 -9.341 5.246 1.00 0.00 H new ATOM 875 N ASP A 63 -3.633 -5.280 4.137 1.00 0.00 N ATOM 876 CA ASP A 63 -3.707 -3.894 4.567 1.00 0.00 C ATOM 877 C ASP A 63 -3.321 -2.982 3.400 1.00 0.00 C ATOM 878 O ASP A 63 -2.826 -3.453 2.377 1.00 0.00 O ATOM 879 CB ASP A 63 -2.739 -3.622 5.720 1.00 0.00 C ATOM 880 CG ASP A 63 -3.298 -3.911 7.115 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.431 -4.437 7.175 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.580 -3.600 8.089 1.00 0.00 O ATOM 0 H ASP A 63 -2.917 -5.835 4.606 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.726 -3.698 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.843 -4.225 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.431 -2.577 5.678 1.00 0.00 H new ATOM 887 N GLN A 64 -3.561 -1.694 3.594 1.00 0.00 N ATOM 888 CA GLN A 64 -3.244 -0.712 2.570 1.00 0.00 C ATOM 889 C GLN A 64 -2.424 0.433 3.169 1.00 0.00 C ATOM 890 O GLN A 64 -2.931 1.205 3.981 1.00 0.00 O ATOM 891 CB GLN A 64 -4.516 -0.185 1.903 1.00 0.00 C ATOM 892 CG GLN A 64 -4.179 0.696 0.699 1.00 0.00 C ATOM 893 CD GLN A 64 -5.377 1.559 0.299 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.503 1.335 0.713 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.074 2.556 -0.528 1.00 0.00 N ATOM 0 H GLN A 64 -3.971 -1.307 4.444 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.645 -1.199 1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.137 -1.022 1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.099 0.387 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.329 1.335 0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.880 0.070 -0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.111 2.688 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.805 3.189 -0.854 1.00 0.00 H new ATOM 904 N ILE A 65 -1.171 0.506 2.745 1.00 0.00 N ATOM 905 CA ILE A 65 -0.277 1.544 3.229 1.00 0.00 C ATOM 906 C ILE A 65 -0.543 2.840 2.461 1.00 0.00 C ATOM 907 O ILE A 65 0.076 3.093 1.428 1.00 0.00 O ATOM 908 CB ILE A 65 1.177 1.074 3.156 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.365 -0.247 3.905 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.130 2.160 3.662 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.402 -1.130 3.207 1.00 0.00 C ATOM 0 H ILE A 65 -0.754 -0.137 2.072 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.469 1.752 4.282 1.00 0.00 H new ATOM 0 HB ILE A 65 1.424 0.889 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.682 -0.047 4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.413 -0.775 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.157 1.801 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.021 3.055 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.892 2.399 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.517 -2.063 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.070 -1.348 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.359 -0.609 3.172 1.00 0.00 H new ATOM 923 N VAL A 66 -1.465 3.628 2.994 1.00 0.00 N ATOM 924 CA VAL A 66 -1.821 4.892 2.372 1.00 0.00 C ATOM 925 C VAL A 66 -0.629 5.848 2.451 1.00 0.00 C ATOM 926 O VAL A 66 -0.364 6.594 1.510 1.00 0.00 O ATOM 927 CB VAL A 66 -3.085 5.458 3.023 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.507 6.767 2.353 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.223 4.435 2.992 1.00 0.00 C ATOM 0 H VAL A 66 -1.977 3.415 3.850 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.052 4.747 1.317 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.857 5.674 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.408 7.148 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.706 7.500 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.708 6.587 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.109 4.862 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.449 4.174 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.922 3.539 3.535 1.00 0.00 H new ATOM 939 N GLU A 67 0.058 5.794 3.583 1.00 0.00 N ATOM 940 CA GLU A 67 1.215 6.646 3.797 1.00 0.00 C ATOM 941 C GLU A 67 2.266 5.914 4.633 1.00 0.00 C ATOM 942 O GLU A 67 1.946 4.961 5.343 1.00 0.00 O ATOM 943 CB GLU A 67 0.810 7.965 4.457 1.00 0.00 C ATOM 944 CG GLU A 67 1.980 8.569 5.237 1.00 0.00 C ATOM 945 CD GLU A 67 1.558 9.858 5.947 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.422 10.878 5.237 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.382 9.794 7.183 1.00 0.00 O ATOM 0 H GLU A 67 -0.165 5.173 4.361 1.00 0.00 H new ATOM 0 HA GLU A 67 1.652 6.883 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.474 8.669 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.031 7.796 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.344 7.849 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.806 8.778 4.557 1.00 0.00 H new ATOM 954 N VAL A 68 3.499 6.386 4.523 1.00 0.00 N ATOM 955 CA VAL A 68 4.598 5.788 5.261 1.00 0.00 C ATOM 956 C VAL A 68 5.563 6.887 5.709 1.00 0.00 C ATOM 957 O VAL A 68 6.140 7.588 4.880 1.00 0.00 O ATOM 958 CB VAL A 68 5.274 4.710 4.411 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.783 4.946 4.324 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.967 3.313 4.953 1.00 0.00 C ATOM 0 H VAL A 68 3.761 7.176 3.934 1.00 0.00 H new ATOM 0 HA VAL A 68 4.230 5.292 6.159 1.00 0.00 H new ATOM 0 HB VAL A 68 4.867 4.775 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.239 4.166 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.974 5.919 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.213 4.922 5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.459 2.565 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.333 3.231 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.890 3.146 4.938 1.00 0.00 H new ATOM 970 N ASP A 69 5.709 7.004 7.021 1.00 0.00 N ATOM 971 CA ASP A 69 6.594 8.006 7.590 1.00 0.00 C ATOM 972 C ASP A 69 6.252 9.375 7.001 1.00 0.00 C ATOM 973 O ASP A 69 7.077 10.288 7.023 1.00 0.00 O ATOM 974 CB ASP A 69 8.056 7.700 7.259 1.00 0.00 C ATOM 975 CG ASP A 69 8.879 7.140 8.421 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.377 7.219 9.562 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.992 6.644 8.141 1.00 0.00 O ATOM 0 H ASP A 69 5.229 6.421 7.706 1.00 0.00 H new ATOM 0 HA ASP A 69 6.460 8.000 8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.085 6.986 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.532 8.614 6.904 1.00 0.00 H new ATOM 982 N GLY A 70 5.034 9.476 6.489 1.00 0.00 N ATOM 983 CA GLY A 70 4.573 10.720 5.895 1.00 0.00 C ATOM 984 C GLY A 70 4.468 10.595 4.374 1.00 0.00 C ATOM 985 O GLY A 70 3.663 11.280 3.745 1.00 0.00 O ATOM 0 H GLY A 70 4.352 8.717 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.601 10.987 6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.261 11.526 6.151 1.00 0.00 H new ATOM 989 N ILE A 71 5.294 9.716 3.826 1.00 0.00 N ATOM 990 CA ILE A 71 5.305 9.493 2.390 1.00 0.00 C ATOM 991 C ILE A 71 3.969 8.879 1.964 1.00 0.00 C ATOM 992 O ILE A 71 3.456 7.980 2.628 1.00 0.00 O ATOM 993 CB ILE A 71 6.522 8.658 1.986 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.818 9.445 2.190 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.382 8.143 0.552 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.036 8.604 1.803 1.00 0.00 C ATOM 0 H ILE A 71 5.961 9.150 4.351 1.00 0.00 H new ATOM 0 HA ILE A 71 5.406 10.439 1.858 1.00 0.00 H new ATOM 0 HB ILE A 71 6.570 7.785 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.794 10.354 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.900 9.753 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.260 7.553 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.490 7.521 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.296 8.988 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.944 9.187 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.070 7.707 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.962 8.318 0.754 1.00 0.00 H new ATOM 1008 N SER A 72 3.446 9.389 0.859 1.00 0.00 N ATOM 1009 CA SER A 72 2.180 8.902 0.336 1.00 0.00 C ATOM 1010 C SER A 72 2.428 7.782 -0.676 1.00 0.00 C ATOM 1011 O SER A 72 3.114 7.985 -1.677 1.00 0.00 O ATOM 1012 CB SER A 72 1.380 10.034 -0.310 1.00 0.00 C ATOM 1013 OG SER A 72 0.395 9.542 -1.215 1.00 0.00 O ATOM 0 H SER A 72 3.875 10.134 0.311 1.00 0.00 H new ATOM 0 HA SER A 72 1.595 8.508 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.895 10.625 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.059 10.701 -0.841 1.00 0.00 H new ATOM 0 HG SER A 72 -0.096 10.295 -1.606 1.00 0.00 H new ATOM 1019 N LEU A 73 1.858 6.624 -0.380 1.00 0.00 N ATOM 1020 CA LEU A 73 2.008 5.471 -1.251 1.00 0.00 C ATOM 1021 C LEU A 73 0.710 5.253 -2.031 1.00 0.00 C ATOM 1022 O LEU A 73 0.304 4.115 -2.262 1.00 0.00 O ATOM 1023 CB LEU A 73 2.456 4.247 -0.449 1.00 0.00 C ATOM 1024 CG LEU A 73 3.762 4.400 0.333 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.121 3.103 1.061 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.895 4.878 -0.578 1.00 0.00 C ATOM 0 H LEU A 73 1.291 6.459 0.452 1.00 0.00 H new ATOM 0 HA LEU A 73 2.795 5.649 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.664 3.987 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.563 3.407 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 73 3.616 5.167 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.053 3.239 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.324 2.845 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.241 2.299 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.812 4.978 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.050 4.153 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.632 5.844 -1.010 1.00 0.00 H new ATOM 1038 N VAL A 74 0.094 6.362 -2.414 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.150 6.307 -3.162 1.00 0.00 C ATOM 1040 C VAL A 74 -0.884 6.704 -4.616 1.00 0.00 C ATOM 1041 O VAL A 74 -0.112 7.625 -4.880 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.207 7.183 -2.487 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.503 7.203 -3.299 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.466 6.721 -1.051 1.00 0.00 C ATOM 0 H VAL A 74 0.434 7.304 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.546 5.292 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.822 8.202 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.237 7.833 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.303 7.601 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.894 6.189 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.221 7.360 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.820 5.690 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.542 6.783 -0.476 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.539 5.991 -5.520 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.383 6.257 -6.940 1.00 0.00 C ATOM 1056 C GLY A 75 0.092 6.222 -7.346 1.00 0.00 C ATOM 1057 O GLY A 75 0.549 7.068 -8.113 1.00 0.00 O ATOM 0 H GLY A 75 -2.179 5.229 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.940 5.517 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.807 7.232 -7.180 1.00 0.00 H new ATOM 1061 N VAL A 76 0.796 5.235 -6.812 1.00 0.00 N ATOM 1062 CA VAL A 76 2.210 5.078 -7.109 1.00 0.00 C ATOM 1063 C VAL A 76 2.508 3.603 -7.384 1.00 0.00 C ATOM 1064 O VAL A 76 1.919 2.720 -6.762 1.00 0.00 O ATOM 1065 CB VAL A 76 3.051 5.656 -5.969 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.615 7.084 -5.635 1.00 0.00 C ATOM 1067 CG2 VAL A 76 2.986 4.759 -4.731 1.00 0.00 C ATOM 0 H VAL A 76 0.414 4.536 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 76 2.476 5.636 -8.007 1.00 0.00 H new ATOM 0 HB VAL A 76 4.088 5.692 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.229 7.471 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.737 7.717 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.568 7.083 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.592 5.192 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.952 4.676 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.367 3.768 -4.979 1.00 0.00 H new ATOM 1077 N THR A 77 3.423 3.381 -8.317 1.00 0.00 N ATOM 1078 CA THR A 77 3.807 2.028 -8.682 1.00 0.00 C ATOM 1079 C THR A 77 4.550 1.355 -7.527 1.00 0.00 C ATOM 1080 O THR A 77 5.324 2.000 -6.821 1.00 0.00 O ATOM 1081 CB THR A 77 4.627 2.101 -9.971 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.009 0.751 -10.217 1.00 0.00 O ATOM 1083 CG2 THR A 77 5.956 2.835 -9.779 1.00 0.00 C ATOM 0 H THR A 77 3.909 4.116 -8.831 1.00 0.00 H new ATOM 0 HA THR A 77 2.932 1.406 -8.871 1.00 0.00 H new ATOM 0 HB THR A 77 4.044 2.602 -10.744 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.544 0.707 -11.037 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.499 2.858 -10.724 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.764 3.855 -9.446 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.554 2.315 -9.030 1.00 0.00 H new ATOM 1091 N GLN A 78 4.289 0.065 -7.369 1.00 0.00 N ATOM 1092 CA GLN A 78 4.923 -0.703 -6.312 1.00 0.00 C ATOM 1093 C GLN A 78 6.368 -0.241 -6.113 1.00 0.00 C ATOM 1094 O GLN A 78 6.793 0.010 -4.986 1.00 0.00 O ATOM 1095 CB GLN A 78 4.863 -2.202 -6.612 1.00 0.00 C ATOM 1096 CG GLN A 78 5.200 -3.025 -5.366 1.00 0.00 C ATOM 1097 CD GLN A 78 6.566 -3.698 -5.506 1.00 0.00 C ATOM 1098 OE1 GLN A 78 7.535 -3.337 -4.858 1.00 0.00 O ATOM 1099 NE2 GLN A 78 6.591 -4.695 -6.387 1.00 0.00 N ATOM 0 H GLN A 78 3.647 -0.467 -7.956 1.00 0.00 H new ATOM 0 HA GLN A 78 4.376 -0.529 -5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.867 -2.466 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.562 -2.445 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.197 -2.379 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.432 -3.782 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.744 -4.947 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.457 -5.207 -6.553 1.00 0.00 H new ATOM 1108 N ASN A 79 7.082 -0.141 -7.224 1.00 0.00 N ATOM 1109 CA ASN A 79 8.470 0.287 -7.186 1.00 0.00 C ATOM 1110 C ASN A 79 8.616 1.442 -6.194 1.00 0.00 C ATOM 1111 O ASN A 79 9.326 1.323 -5.197 1.00 0.00 O ATOM 1112 CB ASN A 79 8.932 0.781 -8.558 1.00 0.00 C ATOM 1113 CG ASN A 79 9.944 -0.185 -9.177 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.060 -1.336 -8.788 1.00 0.00 O ATOM 1115 ND2 ASN A 79 10.666 0.344 -10.160 1.00 0.00 N ATOM 0 H ASN A 79 6.725 -0.349 -8.157 1.00 0.00 H new ATOM 0 HA ASN A 79 9.078 -0.567 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.072 0.885 -9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.380 1.770 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.368 -0.221 -10.638 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.518 1.315 -10.436 1.00 0.00 H new ATOM 1122 N PHE A 80 7.931 2.534 -6.501 1.00 0.00 N ATOM 1123 CA PHE A 80 7.975 3.710 -5.649 1.00 0.00 C ATOM 1124 C PHE A 80 7.866 3.322 -4.173 1.00 0.00 C ATOM 1125 O PHE A 80 8.700 3.718 -3.360 1.00 0.00 O ATOM 1126 CB PHE A 80 6.775 4.581 -6.026 1.00 0.00 C ATOM 1127 CG PHE A 80 6.548 5.767 -5.086 1.00 0.00 C ATOM 1128 CD1 PHE A 80 7.152 6.959 -5.337 1.00 0.00 C ATOM 1129 CD2 PHE A 80 5.740 5.629 -4.000 1.00 0.00 C ATOM 1130 CE1 PHE A 80 6.941 8.060 -4.465 1.00 0.00 C ATOM 1131 CE2 PHE A 80 5.529 6.730 -3.128 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.134 7.922 -3.379 1.00 0.00 C ATOM 0 H PHE A 80 7.342 2.629 -7.328 1.00 0.00 H new ATOM 0 HA PHE A 80 8.919 4.236 -5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.915 4.956 -7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.878 3.962 -6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.792 7.069 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.259 4.683 -3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.421 9.007 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.888 6.621 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.974 8.759 -2.716 1.00 0.00 H new ATOM 1142 N ALA A 81 6.831 2.552 -3.872 1.00 0.00 N ATOM 1143 CA ALA A 81 6.601 2.106 -2.508 1.00 0.00 C ATOM 1144 C ALA A 81 7.854 1.396 -1.991 1.00 0.00 C ATOM 1145 O ALA A 81 8.403 1.773 -0.957 1.00 0.00 O ATOM 1146 CB ALA A 81 5.362 1.209 -2.466 1.00 0.00 C ATOM 0 H ALA A 81 6.142 2.225 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 81 6.410 2.956 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.190 0.874 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.495 1.770 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.518 0.343 -3.109 1.00 0.00 H new ATOM 1152 N ALA A 82 8.268 0.380 -2.734 1.00 0.00 N ATOM 1153 CA ALA A 82 9.446 -0.387 -2.364 1.00 0.00 C ATOM 1154 C ALA A 82 10.538 0.568 -1.877 1.00 0.00 C ATOM 1155 O ALA A 82 11.119 0.360 -0.813 1.00 0.00 O ATOM 1156 CB ALA A 82 9.899 -1.233 -3.555 1.00 0.00 C ATOM 0 H ALA A 82 7.809 0.070 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 82 9.218 -1.071 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.782 -1.808 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.098 -1.914 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.140 -0.580 -4.394 1.00 0.00 H new ATOM 1162 N THR A 83 10.784 1.593 -2.678 1.00 0.00 N ATOM 1163 CA THR A 83 11.796 2.580 -2.342 1.00 0.00 C ATOM 1164 C THR A 83 11.514 3.186 -0.966 1.00 0.00 C ATOM 1165 O THR A 83 12.386 3.201 -0.100 1.00 0.00 O ATOM 1166 CB THR A 83 11.837 3.617 -3.466 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.284 2.882 -4.602 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.926 4.670 -3.252 1.00 0.00 C ATOM 0 H THR A 83 10.300 1.762 -3.560 1.00 0.00 H new ATOM 0 HA THR A 83 12.783 2.124 -2.265 1.00 0.00 H new ATOM 0 HB THR A 83 10.867 4.108 -3.541 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.337 3.479 -5.377 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.912 5.381 -4.078 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.743 5.197 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.900 4.183 -3.210 1.00 0.00 H new ATOM 1176 N VAL A 84 10.291 3.671 -0.808 1.00 0.00 N ATOM 1177 CA VAL A 84 9.882 4.277 0.448 1.00 0.00 C ATOM 1178 C VAL A 84 10.191 3.315 1.597 1.00 0.00 C ATOM 1179 O VAL A 84 10.861 3.686 2.559 1.00 0.00 O ATOM 1180 CB VAL A 84 8.406 4.675 0.382 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.922 5.210 1.730 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.163 5.694 -0.733 1.00 0.00 C ATOM 0 H VAL A 84 9.570 3.657 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 84 10.443 5.193 0.630 1.00 0.00 H new ATOM 0 HB VAL A 84 7.827 3.781 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.870 5.486 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.042 4.440 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.508 6.087 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.106 5.960 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.758 6.588 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.451 5.261 -1.691 1.00 0.00 H new ATOM 1192 N LEU A 85 9.687 2.097 1.459 1.00 0.00 N ATOM 1193 CA LEU A 85 9.901 1.079 2.474 1.00 0.00 C ATOM 1194 C LEU A 85 11.400 0.801 2.603 1.00 0.00 C ATOM 1195 O LEU A 85 11.853 0.281 3.622 1.00 0.00 O ATOM 1196 CB LEU A 85 9.069 -0.167 2.166 1.00 0.00 C ATOM 1197 CG LEU A 85 7.580 0.069 1.904 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.921 -1.183 1.322 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.870 0.554 3.169 1.00 0.00 C ATOM 0 H LEU A 85 9.131 1.792 0.660 1.00 0.00 H new ATOM 0 HA LEU A 85 9.557 1.432 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.498 -0.659 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.165 -0.860 3.002 1.00 0.00 H new ATOM 0 HG LEU A 85 7.486 0.859 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.863 -0.989 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.404 -1.444 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.025 -2.009 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.813 0.714 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.972 -0.196 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.318 1.490 3.502 1.00 0.00 H new ATOM 1211 N ARG A 86 12.129 1.160 1.556 1.00 0.00 N ATOM 1212 CA ARG A 86 13.567 0.955 1.540 1.00 0.00 C ATOM 1213 C ARG A 86 14.281 2.159 2.159 1.00 0.00 C ATOM 1214 O ARG A 86 15.383 2.026 2.688 1.00 0.00 O ATOM 1215 CB ARG A 86 14.078 0.746 0.113 1.00 0.00 C ATOM 1216 CG ARG A 86 15.596 0.922 0.043 1.00 0.00 C ATOM 1217 CD ARG A 86 16.225 -0.117 -0.888 1.00 0.00 C ATOM 1218 NE ARG A 86 17.670 -0.249 -0.595 1.00 0.00 N ATOM 1219 CZ ARG A 86 18.403 -1.329 -0.900 1.00 0.00 C ATOM 1220 NH1 ARG A 86 17.830 -2.377 -1.508 1.00 0.00 N ATOM 1221 NH2 ARG A 86 19.708 -1.361 -0.597 1.00 0.00 N ATOM 0 H ARG A 86 11.750 1.592 0.713 1.00 0.00 H new ATOM 0 HA ARG A 86 13.781 0.060 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.808 -0.252 -0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.595 1.456 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.834 1.925 -0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 86 16.023 0.827 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.730 -1.080 -0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.082 0.179 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 86 18.137 0.531 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.837 -2.352 -1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.387 -3.199 -1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 86 20.144 -0.563 -0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.265 -2.183 -0.829 1.00 0.00 H new ATOM 1235 N ASN A 87 13.623 3.306 2.072 1.00 0.00 N ATOM 1236 CA ASN A 87 14.182 4.531 2.617 1.00 0.00 C ATOM 1237 C ASN A 87 13.924 4.578 4.124 1.00 0.00 C ATOM 1238 O ASN A 87 14.776 5.026 4.890 1.00 0.00 O ATOM 1239 CB ASN A 87 13.527 5.762 1.987 1.00 0.00 C ATOM 1240 CG ASN A 87 14.256 6.177 0.707 1.00 0.00 C ATOM 1241 OD1 ASN A 87 15.274 6.849 0.732 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.681 5.739 -0.409 1.00 0.00 N ATOM 0 H ASN A 87 12.709 3.412 1.633 1.00 0.00 H new ATOM 0 HA ASN A 87 15.250 4.540 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.482 5.547 1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.536 6.587 2.699 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.092 5.962 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.829 5.180 -0.358 1.00 0.00 H new ATOM 1249 N THR A 88 12.744 4.110 4.505 1.00 0.00 N ATOM 1250 CA THR A 88 12.363 4.093 5.907 1.00 0.00 C ATOM 1251 C THR A 88 13.571 3.757 6.784 1.00 0.00 C ATOM 1252 O THR A 88 14.523 3.130 6.322 1.00 0.00 O ATOM 1253 CB THR A 88 11.202 3.110 6.070 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.528 2.039 5.189 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.887 3.661 5.517 1.00 0.00 C ATOM 0 H THR A 88 12.039 3.740 3.867 1.00 0.00 H new ATOM 0 HA THR A 88 12.025 5.075 6.237 1.00 0.00 H new ATOM 0 HB THR A 88 11.078 2.866 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.827 1.355 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.096 2.924 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.626 4.578 6.045 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.000 3.873 4.454 1.00 0.00 H new ATOM 1263 N LYS A 89 13.494 4.190 8.034 1.00 0.00 N ATOM 1264 CA LYS A 89 14.569 3.943 8.980 1.00 0.00 C ATOM 1265 C LYS A 89 13.998 3.273 10.231 1.00 0.00 C ATOM 1266 O LYS A 89 12.812 2.951 10.281 1.00 0.00 O ATOM 1267 CB LYS A 89 15.334 5.236 9.270 1.00 0.00 C ATOM 1268 CG LYS A 89 15.564 6.037 7.987 1.00 0.00 C ATOM 1269 CD LYS A 89 14.620 7.239 7.915 1.00 0.00 C ATOM 1270 CE LYS A 89 15.270 8.402 7.163 1.00 0.00 C ATOM 1271 NZ LYS A 89 14.266 9.443 6.848 1.00 0.00 N ATOM 0 H LYS A 89 12.703 4.711 8.414 1.00 0.00 H new ATOM 0 HA LYS A 89 15.300 3.255 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.776 5.840 9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.293 5.000 9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.598 6.379 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.408 5.395 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.695 6.950 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.353 7.557 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.070 8.831 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.726 8.038 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.725 10.225 6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.517 9.034 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.850 9.803 7.731 1.00 0.00 H new ATOM 1285 N GLY A 90 14.869 3.081 11.210 1.00 0.00 N ATOM 1286 CA GLY A 90 14.467 2.454 12.458 1.00 0.00 C ATOM 1287 C GLY A 90 12.948 2.516 12.638 1.00 0.00 C ATOM 1288 O GLY A 90 12.248 1.541 12.369 1.00 0.00 O ATOM 0 H GLY A 90 15.852 3.349 11.165 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.796 1.415 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.957 2.953 13.294 1.00 0.00 H new ATOM 1292 N ASN A 91 12.485 3.672 13.091 1.00 0.00 N ATOM 1293 CA ASN A 91 11.062 3.873 13.310 1.00 0.00 C ATOM 1294 C ASN A 91 10.393 4.234 11.982 1.00 0.00 C ATOM 1295 O ASN A 91 10.960 4.971 11.177 1.00 0.00 O ATOM 1296 CB ASN A 91 10.813 5.020 14.292 1.00 0.00 C ATOM 1297 CG ASN A 91 9.315 5.246 14.502 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.728 6.192 14.004 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.731 4.326 15.265 1.00 0.00 N ATOM 0 H ASN A 91 13.069 4.478 13.312 1.00 0.00 H new ATOM 0 HA ASN A 91 10.650 2.951 13.720 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.288 4.795 15.247 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.273 5.933 13.914 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.733 4.388 15.464 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.282 3.559 15.651 1.00 0.00 H new ATOM 1306 N VAL A 92 9.196 3.698 11.795 1.00 0.00 N ATOM 1307 CA VAL A 92 8.443 3.954 10.579 1.00 0.00 C ATOM 1308 C VAL A 92 6.960 4.103 10.925 1.00 0.00 C ATOM 1309 O VAL A 92 6.398 3.271 11.636 1.00 0.00 O ATOM 1310 CB VAL A 92 8.710 2.849 9.555 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.003 3.145 8.231 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.212 2.651 9.342 1.00 0.00 C ATOM 0 H VAL A 92 8.729 3.087 12.465 1.00 0.00 H new ATOM 0 HA VAL A 92 8.766 4.888 10.120 1.00 0.00 H new ATOM 0 HB VAL A 92 8.302 1.919 9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.210 2.344 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.928 3.212 8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.367 4.090 7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.375 1.860 8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.653 3.579 8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.680 2.373 10.286 1.00 0.00 H new ATOM 1322 N ARG A 93 6.367 5.168 10.404 1.00 0.00 N ATOM 1323 CA ARG A 93 4.960 5.436 10.648 1.00 0.00 C ATOM 1324 C ARG A 93 4.123 5.022 9.437 1.00 0.00 C ATOM 1325 O ARG A 93 4.125 5.705 8.414 1.00 0.00 O ATOM 1326 CB ARG A 93 4.725 6.919 10.940 1.00 0.00 C ATOM 1327 CG ARG A 93 3.935 7.104 12.237 1.00 0.00 C ATOM 1328 CD ARG A 93 3.172 8.430 12.230 1.00 0.00 C ATOM 1329 NE ARG A 93 3.037 8.944 13.611 1.00 0.00 N ATOM 1330 CZ ARG A 93 3.964 9.688 14.230 1.00 0.00 C ATOM 1331 NH1 ARG A 93 5.099 10.009 13.595 1.00 0.00 N ATOM 1332 NH2 ARG A 93 3.756 10.110 15.485 1.00 0.00 N ATOM 0 H ARG A 93 6.836 5.855 9.814 1.00 0.00 H new ATOM 0 HA ARG A 93 4.657 4.854 11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.682 7.434 11.017 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.183 7.375 10.112 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.235 6.278 12.361 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.615 7.076 13.088 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.698 9.158 11.612 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.186 8.289 11.788 1.00 0.00 H new ATOM 0 HE ARG A 93 2.185 8.718 14.124 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.258 9.687 12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.804 10.575 14.066 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.892 9.865 15.969 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.462 10.676 15.956 1.00 0.00 H new ATOM 1346 N PHE A 94 3.427 3.905 9.592 1.00 0.00 N ATOM 1347 CA PHE A 94 2.587 3.392 8.523 1.00 0.00 C ATOM 1348 C PHE A 94 1.119 3.754 8.757 1.00 0.00 C ATOM 1349 O PHE A 94 0.547 3.405 9.789 1.00 0.00 O ATOM 1350 CB PHE A 94 2.732 1.869 8.532 1.00 0.00 C ATOM 1351 CG PHE A 94 4.120 1.373 8.121 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.438 1.257 6.804 1.00 0.00 C ATOM 1353 CD2 PHE A 94 5.036 1.049 9.073 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.726 0.797 6.422 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.324 0.588 8.691 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.642 0.472 7.374 1.00 0.00 C ATOM 0 H PHE A 94 3.428 3.341 10.442 1.00 0.00 H new ATOM 0 HA PHE A 94 2.892 3.824 7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.507 1.499 9.532 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.990 1.440 7.859 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.711 1.515 6.048 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.784 1.142 10.119 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.978 0.705 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.051 0.330 9.447 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.622 0.122 7.084 1.00 0.00 H new ATOM 1366 N VAL A 95 0.552 4.450 7.783 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.838 4.863 7.871 1.00 0.00 C ATOM 1368 C VAL A 95 -1.703 3.909 7.045 1.00 0.00 C ATOM 1369 O VAL A 95 -1.874 4.103 5.843 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.978 6.324 7.436 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.388 6.607 6.912 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.617 7.273 8.580 1.00 0.00 C ATOM 0 H VAL A 95 1.030 4.738 6.929 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.188 4.809 8.902 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.276 6.500 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.461 7.652 6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.593 5.966 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.116 6.405 7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.725 8.305 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.283 7.095 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.414 7.097 8.887 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.224 2.897 7.723 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.067 1.911 7.068 1.00 0.00 C ATOM 1384 C ILE A 96 -4.480 2.477 6.913 1.00 0.00 C ATOM 1385 O ILE A 96 -4.871 3.388 7.641 1.00 0.00 O ATOM 1386 CB ILE A 96 -3.016 0.579 7.818 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.616 0.317 8.376 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.504 -0.568 6.932 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.549 0.518 7.298 1.00 0.00 C ATOM 0 H ILE A 96 -2.079 2.738 8.720 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.697 1.699 6.065 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.695 0.640 8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.423 0.988 9.213 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.560 -0.700 8.763 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.457 -1.504 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.533 -0.379 6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.870 -0.640 6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.437 0.325 7.721 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.731 -0.171 6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.592 1.543 6.930 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.207 1.913 5.960 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.569 2.349 5.700 1.00 0.00 C ATOM 1403 C GLY A 97 -7.549 1.180 5.808 1.00 0.00 C ATOM 1404 O GLY A 97 -7.628 0.347 4.906 1.00 0.00 O ATOM 0 H GLY A 97 -4.879 1.158 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.847 3.128 6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.630 2.789 4.704 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.272 1.155 6.918 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.244 0.102 7.155 1.00 0.00 C ATOM 1410 C ARG A 98 -10.659 0.612 6.874 1.00 0.00 C ATOM 1411 O ARG A 98 -10.920 1.811 6.967 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.168 -0.404 8.597 1.00 0.00 C ATOM 1413 CG ARG A 98 -8.943 -1.917 8.636 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.744 -2.270 9.518 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.056 -3.465 8.983 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.555 -4.708 9.040 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.748 -4.925 9.609 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.860 -5.733 8.527 1.00 0.00 N ATOM 0 H ARG A 98 -8.204 1.848 7.664 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.011 -0.722 6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.357 0.101 9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.090 -0.156 9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.837 -2.412 9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.778 -2.290 7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.052 -1.429 9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.076 -2.458 10.539 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.145 -3.335 8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.277 -4.145 9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.128 -5.871 9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.952 -5.567 8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.239 -6.679 8.570 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.536 -0.323 6.538 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.917 0.017 6.244 1.00 0.00 C ATOM 1434 C GLU A 99 -13.637 0.465 7.518 1.00 0.00 C ATOM 1435 O GLU A 99 -13.643 -0.254 8.516 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.644 -1.159 5.588 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.921 -0.876 4.110 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.649 -2.116 3.255 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -12.489 -2.580 3.281 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -14.608 -2.571 2.595 1.00 0.00 O ATOM 0 H GLU A 99 -11.316 -1.316 6.463 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.923 0.846 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.041 -2.062 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.583 -1.347 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.957 -0.563 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.295 -0.051 3.770 1.00 0.00 H new