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+ 160:sc= 0.935 (180deg=0.818) USER MOD Set 1.2: A 88 THR OG1 : rot -103:sc= -0.49 USER MOD Single : A 25 SER OG : rot -160: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= -0.351 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.61 K(o=-1.6,f=-9.2!) USER MOD Single : A 60 GLN : amide:sc= -0.984! K(o=-0.98!,f=-3.5) USER MOD Single : A 62 ASN : amide:sc= -4.6! C(o=-4.6!,f=-4.5!) USER MOD Single : A 64 GLN : amide:sc=-0.00498 K(o=-0.005,f=-1.3) 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 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.6!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.208 F(o=-0.88,f=-0.21) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.469 4.253 7.397 1.00 0.00 N ATOM 86 CA GLU A 9 -9.833 4.480 8.684 1.00 0.00 C ATOM 87 C GLU A 9 -8.315 4.573 8.517 1.00 0.00 C ATOM 88 O GLU A 9 -7.625 3.555 8.505 1.00 0.00 O ATOM 89 CB GLU A 9 -10.209 3.383 9.682 1.00 0.00 C ATOM 90 CG GLU A 9 -9.057 3.104 10.649 1.00 0.00 C ATOM 91 CD GLU A 9 -9.579 2.557 11.980 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.262 3.333 12.683 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.283 1.377 12.264 1.00 0.00 O ATOM 0 HA GLU A 9 -10.193 5.428 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.094 3.684 10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.467 2.470 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.368 2.387 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.494 4.021 10.824 1.00 0.00 H new ATOM 100 N LEU A 10 -7.840 5.803 8.393 1.00 0.00 N ATOM 101 CA LEU A 10 -6.416 6.042 8.228 1.00 0.00 C ATOM 102 C LEU A 10 -5.789 6.326 9.594 1.00 0.00 C ATOM 103 O LEU A 10 -6.049 7.366 10.197 1.00 0.00 O ATOM 104 CB LEU A 10 -6.175 7.149 7.199 1.00 0.00 C ATOM 105 CG LEU A 10 -6.825 6.944 5.829 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.405 8.045 4.853 1.00 0.00 C ATOM 107 CD2 LEU A 10 -6.523 5.547 5.282 1.00 0.00 C ATOM 0 H LEU A 10 -8.416 6.645 8.403 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.924 5.155 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.538 8.089 7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.100 7.258 7.056 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.906 7.016 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.881 7.876 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.713 9.015 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.322 8.030 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.997 5.428 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.445 5.422 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.912 4.795 5.969 1.00 0.00 H new ATOM 119 N PHE A 11 -4.975 5.382 10.043 1.00 0.00 N ATOM 120 CA PHE A 11 -4.309 5.517 11.327 1.00 0.00 C ATOM 121 C PHE A 11 -2.816 5.204 11.206 1.00 0.00 C ATOM 122 O PHE A 11 -2.434 4.212 10.587 1.00 0.00 O ATOM 123 CB PHE A 11 -4.954 4.505 12.275 1.00 0.00 C ATOM 124 CG PHE A 11 -4.980 3.074 11.734 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.899 2.718 10.797 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.083 2.159 12.190 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.922 1.390 10.295 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.107 0.831 11.688 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.026 0.474 10.751 1.00 0.00 C ATOM 0 H PHE A 11 -4.762 4.520 9.540 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.411 6.539 11.692 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.414 4.515 13.222 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.975 4.821 12.487 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.611 3.445 10.435 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.353 2.442 12.934 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.651 1.107 9.551 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.395 0.104 12.050 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.044 -0.536 10.369 1.00 0.00 H new ATOM 139 N PRO A 12 -1.990 6.092 11.822 1.00 0.00 N ATOM 140 CA PRO A 12 -0.548 5.921 11.790 1.00 0.00 C ATOM 141 C PRO A 12 -0.107 4.802 12.735 1.00 0.00 C ATOM 142 O PRO A 12 -0.566 4.730 13.874 1.00 0.00 O ATOM 143 CB PRO A 12 0.018 7.279 12.171 1.00 0.00 C ATOM 144 CG PRO A 12 -1.116 8.027 12.853 1.00 0.00 C ATOM 145 CD PRO A 12 -2.407 7.279 12.564 1.00 0.00 C ATOM 0 HA PRO A 12 -0.183 5.613 10.810 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.873 7.172 12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.367 7.818 11.290 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.942 8.087 13.927 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.176 9.050 12.482 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.923 7.009 13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.096 7.889 11.980 1.00 0.00 H new ATOM 153 N VAL A 13 0.778 3.956 12.228 1.00 0.00 N ATOM 154 CA VAL A 13 1.285 2.844 13.013 1.00 0.00 C ATOM 155 C VAL A 13 2.815 2.885 13.019 1.00 0.00 C ATOM 156 O VAL A 13 3.442 2.931 11.961 1.00 0.00 O ATOM 157 CB VAL A 13 0.725 1.525 12.477 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.516 0.333 13.018 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.764 1.390 12.803 1.00 0.00 C ATOM 0 H VAL A 13 1.157 4.019 11.283 1.00 0.00 H new ATOM 0 HA VAL A 13 0.953 2.925 14.048 1.00 0.00 H new ATOM 0 HB VAL A 13 0.831 1.531 11.392 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.097 -0.592 12.621 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.559 0.419 12.712 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.457 0.321 14.106 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.138 0.444 12.411 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.904 1.416 13.884 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.313 2.214 12.347 1.00 0.00 H new ATOM 169 N GLU A 14 3.371 2.868 14.221 1.00 0.00 N ATOM 170 CA GLU A 14 4.815 2.903 14.378 1.00 0.00 C ATOM 171 C GLU A 14 5.396 1.492 14.261 1.00 0.00 C ATOM 172 O GLU A 14 4.768 0.522 14.682 1.00 0.00 O ATOM 173 CB GLU A 14 5.207 3.549 15.708 1.00 0.00 C ATOM 174 CG GLU A 14 4.806 5.026 15.739 1.00 0.00 C ATOM 175 CD GLU A 14 4.145 5.386 17.071 1.00 0.00 C ATOM 176 OE1 GLU A 14 2.905 5.246 17.145 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.894 5.793 17.985 1.00 0.00 O ATOM 0 H GLU A 14 2.848 2.830 15.096 1.00 0.00 H new ATOM 0 HA GLU A 14 5.233 3.514 13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.724 3.020 16.530 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.283 3.457 15.858 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.687 5.649 15.586 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.120 5.238 14.919 1.00 0.00 H new ATOM 184 N LEU A 15 6.589 1.423 13.689 1.00 0.00 N ATOM 185 CA LEU A 15 7.262 0.148 13.512 1.00 0.00 C ATOM 186 C LEU A 15 8.776 0.367 13.530 1.00 0.00 C ATOM 187 O LEU A 15 9.280 1.292 12.895 1.00 0.00 O ATOM 188 CB LEU A 15 6.757 -0.553 12.249 1.00 0.00 C ATOM 189 CG LEU A 15 5.971 -1.847 12.469 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.537 -2.458 11.135 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.770 -2.837 13.319 1.00 0.00 C ATOM 0 H LEU A 15 7.107 2.230 13.342 1.00 0.00 H new ATOM 0 HA LEU A 15 7.028 -0.524 14.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.125 0.144 11.699 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.614 -0.775 11.613 1.00 0.00 H new ATOM 0 HG LEU A 15 5.064 -1.605 13.024 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.980 -3.377 11.320 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.903 -1.751 10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.418 -2.682 10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.188 -3.748 13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.705 -3.078 12.814 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.987 -2.391 14.290 1.00 0.00 H new ATOM 203 N GLU A 16 9.458 -0.499 14.265 1.00 0.00 N ATOM 204 CA GLU A 16 10.904 -0.411 14.375 1.00 0.00 C ATOM 205 C GLU A 16 11.568 -1.481 13.507 1.00 0.00 C ATOM 206 O GLU A 16 11.321 -2.673 13.686 1.00 0.00 O ATOM 207 CB GLU A 16 11.352 -0.531 15.833 1.00 0.00 C ATOM 208 CG GLU A 16 11.802 0.824 16.382 1.00 0.00 C ATOM 209 CD GLU A 16 12.730 0.647 17.585 1.00 0.00 C ATOM 210 OE1 GLU A 16 13.627 -0.218 17.488 1.00 0.00 O ATOM 211 OE2 GLU A 16 12.523 1.382 18.575 1.00 0.00 O ATOM 0 H GLU A 16 9.036 -1.265 14.790 1.00 0.00 H new ATOM 0 HA GLU A 16 11.217 0.568 14.013 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.532 -0.918 16.438 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.170 -1.247 15.908 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.316 1.384 15.601 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.930 1.410 16.674 1.00 0.00 H new ATOM 218 N LYS A 17 12.399 -1.019 12.584 1.00 0.00 N ATOM 219 CA LYS A 17 13.101 -1.922 11.688 1.00 0.00 C ATOM 220 C LYS A 17 13.898 -2.934 12.513 1.00 0.00 C ATOM 221 O LYS A 17 14.378 -2.615 13.599 1.00 0.00 O ATOM 222 CB LYS A 17 13.953 -1.133 10.691 1.00 0.00 C ATOM 223 CG LYS A 17 13.092 -0.572 9.558 1.00 0.00 C ATOM 224 CD LYS A 17 13.949 0.190 8.544 1.00 0.00 C ATOM 225 CE LYS A 17 13.410 0.007 7.124 1.00 0.00 C ATOM 226 NZ LYS A 17 14.360 0.562 6.134 1.00 0.00 N ATOM 0 H LYS A 17 12.602 -0.030 12.437 1.00 0.00 H new ATOM 0 HA LYS A 17 12.391 -2.489 11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.460 -0.317 11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.728 -1.779 10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.568 -1.386 9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.332 0.092 9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.963 1.250 8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.979 -0.163 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.245 -1.052 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.444 0.503 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.169 0.148 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.247 1.595 6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.333 0.334 6.421 1.00 0.00 H new ATOM 240 N ASP A 18 14.014 -4.135 11.965 1.00 0.00 N ATOM 241 CA ASP A 18 14.745 -5.197 12.636 1.00 0.00 C ATOM 242 C ASP A 18 15.901 -5.656 11.746 1.00 0.00 C ATOM 243 O ASP A 18 16.033 -5.203 10.610 1.00 0.00 O ATOM 244 CB ASP A 18 13.843 -6.404 12.901 1.00 0.00 C ATOM 245 CG ASP A 18 12.342 -6.125 12.802 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.937 -5.034 13.258 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.634 -7.008 12.272 1.00 0.00 O ATOM 0 H ASP A 18 13.614 -4.396 11.064 1.00 0.00 H new ATOM 0 HA ASP A 18 15.112 -4.806 13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.098 -7.192 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.061 -6.789 13.897 1.00 0.00 H new ATOM 252 N GLU A 19 16.710 -6.550 12.295 1.00 0.00 N ATOM 253 CA GLU A 19 17.851 -7.076 11.565 1.00 0.00 C ATOM 254 C GLU A 19 17.482 -7.308 10.099 1.00 0.00 C ATOM 255 O GLU A 19 18.336 -7.221 9.218 1.00 0.00 O ATOM 256 CB GLU A 19 18.369 -8.363 12.210 1.00 0.00 C ATOM 257 CG GLU A 19 17.232 -9.363 12.427 1.00 0.00 C ATOM 258 CD GLU A 19 17.763 -10.681 12.997 1.00 0.00 C ATOM 259 OE1 GLU A 19 18.065 -10.693 14.210 1.00 0.00 O ATOM 260 OE2 GLU A 19 17.854 -11.645 12.207 1.00 0.00 O ATOM 0 H GLU A 19 16.598 -6.924 13.237 1.00 0.00 H new ATOM 0 HA GLU A 19 18.654 -6.340 11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.135 -8.809 11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.841 -8.131 13.165 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.495 -8.939 13.108 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.722 -9.550 11.482 1.00 0.00 H new ATOM 267 N ASP A 20 16.207 -7.598 9.881 1.00 0.00 N ATOM 268 CA ASP A 20 15.714 -7.843 8.537 1.00 0.00 C ATOM 269 C ASP A 20 14.659 -6.792 8.186 1.00 0.00 C ATOM 270 O ASP A 20 13.545 -7.133 7.792 1.00 0.00 O ATOM 271 CB ASP A 20 15.061 -9.222 8.433 1.00 0.00 C ATOM 272 CG ASP A 20 15.075 -9.840 7.033 1.00 0.00 C ATOM 273 OD1 ASP A 20 15.927 -9.405 6.229 1.00 0.00 O ATOM 274 OD2 ASP A 20 14.232 -10.734 6.799 1.00 0.00 O ATOM 0 H ASP A 20 15.501 -7.669 10.614 1.00 0.00 H new ATOM 0 HA ASP A 20 16.561 -7.793 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.569 -9.901 9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.027 -9.144 8.769 1.00 0.00 H new ATOM 279 N GLY A 21 15.048 -5.535 8.341 1.00 0.00 N ATOM 280 CA GLY A 21 14.149 -4.432 8.045 1.00 0.00 C ATOM 281 C GLY A 21 12.843 -4.563 8.831 1.00 0.00 C ATOM 282 O GLY A 21 12.840 -5.052 9.960 1.00 0.00 O ATOM 0 H GLY A 21 15.973 -5.256 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.633 -3.487 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.934 -4.410 6.977 1.00 0.00 H new ATOM 286 N LEU A 22 11.765 -4.116 8.204 1.00 0.00 N ATOM 287 CA LEU A 22 10.455 -4.177 8.831 1.00 0.00 C ATOM 288 C LEU A 22 10.039 -5.641 8.990 1.00 0.00 C ATOM 289 O LEU A 22 9.768 -6.096 10.100 1.00 0.00 O ATOM 290 CB LEU A 22 9.447 -3.333 8.049 1.00 0.00 C ATOM 291 CG LEU A 22 9.910 -1.928 7.658 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.250 -1.476 6.353 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.668 -0.934 8.796 1.00 0.00 C ATOM 0 H LEU A 22 11.772 -3.710 7.268 1.00 0.00 H new ATOM 0 HA LEU A 22 10.490 -3.744 9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.179 -3.872 7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.539 -3.242 8.645 1.00 0.00 H new ATOM 0 HG LEU A 22 10.985 -1.960 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.596 -0.474 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.516 -2.167 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.167 -1.465 6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.006 0.057 8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.604 -0.899 9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.222 -1.251 9.680 1.00 0.00 H new ATOM 305 N GLY A 23 10.000 -6.338 7.864 1.00 0.00 N ATOM 306 CA GLY A 23 9.621 -7.741 7.864 1.00 0.00 C ATOM 307 C GLY A 23 8.184 -7.920 7.371 1.00 0.00 C ATOM 308 O GLY A 23 7.428 -8.716 7.927 1.00 0.00 O ATOM 0 H GLY A 23 10.225 -5.957 6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.301 -8.305 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.717 -8.148 8.871 1.00 0.00 H new ATOM 312 N ILE A 24 7.850 -7.168 6.333 1.00 0.00 N ATOM 313 CA ILE A 24 6.517 -7.234 5.759 1.00 0.00 C ATOM 314 C ILE A 24 6.622 -7.222 4.233 1.00 0.00 C ATOM 315 O ILE A 24 7.650 -6.831 3.681 1.00 0.00 O ATOM 316 CB ILE A 24 5.634 -6.119 6.323 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.484 -4.956 6.842 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.687 -6.659 7.396 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.714 -3.637 6.763 1.00 0.00 C ATOM 0 H ILE A 24 8.480 -6.510 5.874 1.00 0.00 H new ATOM 0 HA ILE A 24 6.029 -8.168 6.038 1.00 0.00 H new ATOM 0 HB ILE A 24 5.016 -5.731 5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.779 -5.148 7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.401 -4.882 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.071 -5.846 7.780 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.046 -7.427 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.268 -7.090 8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.340 -2.827 7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.442 -3.436 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.810 -3.707 7.368 1.00 0.00 H new ATOM 331 N SER A 25 5.545 -7.654 3.594 1.00 0.00 N ATOM 332 CA SER A 25 5.504 -7.697 2.142 1.00 0.00 C ATOM 333 C SER A 25 4.469 -6.700 1.618 1.00 0.00 C ATOM 334 O SER A 25 3.530 -6.343 2.328 1.00 0.00 O ATOM 335 CB SER A 25 5.182 -9.107 1.642 1.00 0.00 C ATOM 336 OG SER A 25 5.910 -10.105 2.354 1.00 0.00 O ATOM 0 H SER A 25 4.694 -7.977 4.055 1.00 0.00 H new ATOM 0 HA SER A 25 6.489 -7.422 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.113 -9.294 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.415 -9.177 0.579 1.00 0.00 H new ATOM 0 HG SER A 25 5.934 -10.931 1.827 1.00 0.00 H new ATOM 342 N ILE A 26 4.676 -6.278 0.379 1.00 0.00 N ATOM 343 CA ILE A 26 3.772 -5.328 -0.249 1.00 0.00 C ATOM 344 C ILE A 26 3.339 -5.868 -1.613 1.00 0.00 C ATOM 345 O ILE A 26 3.916 -6.832 -2.115 1.00 0.00 O ATOM 346 CB ILE A 26 4.413 -3.940 -0.312 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.664 -3.954 -1.194 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.708 -3.407 1.091 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.760 -2.675 -2.029 1.00 0.00 C ATOM 0 H ILE A 26 5.456 -6.576 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 26 2.868 -5.210 0.349 1.00 0.00 H new ATOM 0 HB ILE A 26 3.700 -3.256 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.552 -4.053 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.639 -4.822 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.163 -2.419 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.779 -3.337 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.393 -4.085 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.657 -2.710 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.882 -2.592 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.809 -1.811 -1.367 1.00 0.00 H new ATOM 361 N ILE A 27 2.326 -5.224 -2.174 1.00 0.00 N ATOM 362 CA ILE A 27 1.808 -5.628 -3.470 1.00 0.00 C ATOM 363 C ILE A 27 1.292 -4.395 -4.215 1.00 0.00 C ATOM 364 O ILE A 27 0.686 -3.511 -3.613 1.00 0.00 O ATOM 365 CB ILE A 27 0.761 -6.732 -3.309 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.220 -6.733 -4.483 1.00 0.00 C ATOM 367 CG2 ILE A 27 0.043 -6.614 -1.962 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.871 -8.107 -4.652 1.00 0.00 C ATOM 0 H ILE A 27 1.850 -4.425 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 27 2.602 -6.060 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 27 1.274 -7.694 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.990 -5.979 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.303 -6.459 -5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.696 -7.410 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.769 -6.700 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.456 -5.647 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.564 -8.080 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.100 -8.854 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.414 -8.367 -3.743 1.00 0.00 H new ATOM 380 N GLY A 28 1.553 -4.377 -5.514 1.00 0.00 N ATOM 381 CA GLY A 28 1.123 -3.267 -6.348 1.00 0.00 C ATOM 382 C GLY A 28 -0.184 -3.599 -7.071 1.00 0.00 C ATOM 383 O GLY A 28 -0.210 -4.458 -7.951 1.00 0.00 O ATOM 0 H GLY A 28 2.057 -5.113 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.987 -2.377 -5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.898 -3.035 -7.078 1.00 0.00 H new ATOM 387 N MET A 29 -1.237 -2.900 -6.674 1.00 0.00 N ATOM 388 CA MET A 29 -2.544 -3.109 -7.273 1.00 0.00 C ATOM 389 C MET A 29 -3.176 -1.780 -7.690 1.00 0.00 C ATOM 390 O MET A 29 -2.754 -0.718 -7.234 1.00 0.00 O ATOM 391 CB MET A 29 -3.458 -3.817 -6.270 1.00 0.00 C ATOM 392 CG MET A 29 -2.786 -5.069 -5.705 1.00 0.00 C ATOM 393 SD MET A 29 -3.525 -6.532 -6.412 1.00 0.00 S ATOM 394 CE MET A 29 -4.509 -7.082 -5.028 1.00 0.00 C ATOM 0 H MET A 29 -1.212 -2.188 -5.944 1.00 0.00 H new ATOM 0 HA MET A 29 -2.420 -3.725 -8.163 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.708 -3.136 -5.457 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.394 -4.091 -6.756 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.718 -5.049 -5.924 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.888 -5.088 -4.620 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.042 -7.993 -5.300 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.859 -7.282 -4.176 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.228 -6.307 -4.762 1.00 0.00 H new ATOM 404 N GLY A 30 -4.176 -1.881 -8.553 1.00 0.00 N ATOM 405 CA GLY A 30 -4.870 -0.700 -9.037 1.00 0.00 C ATOM 406 C GLY A 30 -6.223 -0.536 -8.343 1.00 0.00 C ATOM 407 O GLY A 30 -7.115 -1.366 -8.510 1.00 0.00 O ATOM 0 H GLY A 30 -4.522 -2.763 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.257 0.184 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.017 -0.776 -10.114 1.00 0.00 H new ATOM 411 N VAL A 31 -6.333 0.540 -7.578 1.00 0.00 N ATOM 412 CA VAL A 31 -7.563 0.824 -6.857 1.00 0.00 C ATOM 413 C VAL A 31 -8.412 1.801 -7.672 1.00 0.00 C ATOM 414 O VAL A 31 -7.884 2.727 -8.285 1.00 0.00 O ATOM 415 CB VAL A 31 -7.240 1.339 -5.453 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.366 1.003 -4.473 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.901 0.785 -4.960 1.00 0.00 C ATOM 0 H VAL A 31 -5.591 1.226 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.149 -0.086 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.155 2.424 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.111 1.380 -3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.293 1.467 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.498 -0.078 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.695 1.167 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.946 -0.304 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.106 1.097 -5.638 1.00 0.00 H new ATOM 492 N GLU A 38 -6.513 5.927 -12.641 1.00 0.00 N ATOM 493 CA GLU A 38 -6.349 4.872 -11.655 1.00 0.00 C ATOM 494 C GLU A 38 -5.342 5.298 -10.585 1.00 0.00 C ATOM 495 O GLU A 38 -4.447 6.098 -10.853 1.00 0.00 O ATOM 496 CB GLU A 38 -5.921 3.562 -12.320 1.00 0.00 C ATOM 497 CG GLU A 38 -4.516 3.681 -12.914 1.00 0.00 C ATOM 498 CD GLU A 38 -4.141 2.419 -13.693 1.00 0.00 C ATOM 499 OE1 GLU A 38 -5.023 1.920 -14.424 1.00 0.00 O ATOM 500 OE2 GLU A 38 -2.981 1.981 -13.538 1.00 0.00 O ATOM 0 HA GLU A 38 -7.311 4.699 -11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.943 2.755 -11.588 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.630 3.300 -13.105 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.469 4.547 -13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.793 3.848 -12.116 1.00 0.00 H new ATOM 507 N LYS A 39 -5.521 4.744 -9.395 1.00 0.00 N ATOM 508 CA LYS A 39 -4.640 5.056 -8.283 1.00 0.00 C ATOM 509 C LYS A 39 -4.113 3.755 -7.674 1.00 0.00 C ATOM 510 O LYS A 39 -4.797 3.117 -6.876 1.00 0.00 O ATOM 511 CB LYS A 39 -5.349 5.964 -7.275 1.00 0.00 C ATOM 512 CG LYS A 39 -5.313 7.424 -7.732 1.00 0.00 C ATOM 513 CD LYS A 39 -4.646 8.311 -6.679 1.00 0.00 C ATOM 514 CE LYS A 39 -5.265 9.710 -6.669 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.219 10.741 -6.848 1.00 0.00 N ATOM 0 H LYS A 39 -6.264 4.080 -9.177 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.774 5.619 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.383 5.642 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.872 5.873 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.770 7.501 -8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.328 7.776 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.752 7.855 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.578 8.384 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.005 9.792 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.790 9.875 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.656 11.685 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.528 10.672 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.737 10.592 -7.757 1.00 0.00 H new ATOM 529 N LEU A 40 -2.900 3.401 -8.074 1.00 0.00 N ATOM 530 CA LEU A 40 -2.273 2.187 -7.578 1.00 0.00 C ATOM 531 C LEU A 40 -2.273 2.208 -6.048 1.00 0.00 C ATOM 532 O LEU A 40 -1.861 3.193 -5.437 1.00 0.00 O ATOM 533 CB LEU A 40 -0.883 2.014 -8.191 1.00 0.00 C ATOM 534 CG LEU A 40 -0.479 0.580 -8.542 1.00 0.00 C ATOM 535 CD1 LEU A 40 -1.347 0.027 -9.673 1.00 0.00 C ATOM 536 CD2 LEU A 40 1.013 0.496 -8.871 1.00 0.00 C ATOM 0 H LEU A 40 -2.335 3.933 -8.736 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.843 1.310 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.829 2.618 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.148 2.418 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.652 -0.047 -7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.039 -0.993 -9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.392 0.030 -9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.229 0.650 -10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.274 -0.533 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.235 1.140 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.595 0.822 -8.009 1.00 0.00 H new ATOM 548 N GLY A 41 -2.739 1.109 -5.474 1.00 0.00 N ATOM 549 CA GLY A 41 -2.797 0.988 -4.027 1.00 0.00 C ATOM 550 C GLY A 41 -1.806 -0.063 -3.524 1.00 0.00 C ATOM 551 O GLY A 41 -1.857 -1.220 -3.941 1.00 0.00 O ATOM 0 H GLY A 41 -3.080 0.294 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.574 1.952 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.807 0.716 -3.722 1.00 0.00 H new ATOM 555 N ILE A 42 -0.927 0.376 -2.635 1.00 0.00 N ATOM 556 CA ILE A 42 0.075 -0.513 -2.071 1.00 0.00 C ATOM 557 C ILE A 42 -0.525 -1.257 -0.876 1.00 0.00 C ATOM 558 O ILE A 42 -0.809 -0.654 0.157 1.00 0.00 O ATOM 559 CB ILE A 42 1.350 0.263 -1.735 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.720 1.225 -2.865 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.498 -0.691 -1.395 1.00 0.00 C ATOM 562 CD1 ILE A 42 1.944 0.471 -4.177 1.00 0.00 C ATOM 0 H ILE A 42 -0.888 1.336 -2.291 1.00 0.00 H new ATOM 0 HA ILE A 42 0.371 -1.267 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 42 1.159 0.867 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.926 1.961 -2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.623 1.774 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.393 -0.114 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.222 -1.300 -0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.698 -1.339 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.206 1.179 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.755 -0.247 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.032 -0.057 -4.453 1.00 0.00 H new ATOM 574 N PHE A 43 -0.700 -2.558 -1.058 1.00 0.00 N ATOM 575 CA PHE A 43 -1.261 -3.391 -0.008 1.00 0.00 C ATOM 576 C PHE A 43 -0.207 -4.346 0.556 1.00 0.00 C ATOM 577 O PHE A 43 0.844 -4.545 -0.052 1.00 0.00 O ATOM 578 CB PHE A 43 -2.387 -4.211 -0.641 1.00 0.00 C ATOM 579 CG PHE A 43 -3.514 -3.364 -1.237 1.00 0.00 C ATOM 580 CD1 PHE A 43 -3.414 -2.899 -2.511 1.00 0.00 C ATOM 581 CD2 PHE A 43 -4.614 -3.075 -0.492 1.00 0.00 C ATOM 582 CE1 PHE A 43 -4.460 -2.113 -3.064 1.00 0.00 C ATOM 583 CE2 PHE A 43 -5.660 -2.289 -1.044 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.560 -1.824 -2.319 1.00 0.00 C ATOM 0 H PHE A 43 -0.463 -3.055 -1.917 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.622 -2.766 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.967 -4.842 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.806 -4.877 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.539 -3.127 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.692 -3.443 0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.382 -1.745 -4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.534 -2.060 -0.452 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.355 -1.225 -2.739 1.00 0.00 H new ATOM 594 N VAL A 44 -0.524 -4.912 1.711 1.00 0.00 N ATOM 595 CA VAL A 44 0.382 -5.841 2.364 1.00 0.00 C ATOM 596 C VAL A 44 0.091 -7.260 1.873 1.00 0.00 C ATOM 597 O VAL A 44 -0.898 -7.870 2.276 1.00 0.00 O ATOM 598 CB VAL A 44 0.272 -5.699 3.884 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.877 -6.913 4.592 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.927 -4.402 4.362 1.00 0.00 C ATOM 0 H VAL A 44 -1.397 -4.745 2.212 1.00 0.00 H new ATOM 0 HA VAL A 44 1.416 -5.613 2.104 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.786 -5.654 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.786 -6.788 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.347 -7.815 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.930 -7.003 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.835 -4.326 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.982 -4.404 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.432 -3.551 3.895 1.00 0.00 H new ATOM 610 N LYS A 45 0.972 -7.746 1.010 1.00 0.00 N ATOM 611 CA LYS A 45 0.822 -9.082 0.460 1.00 0.00 C ATOM 612 C LYS A 45 0.763 -10.096 1.604 1.00 0.00 C ATOM 613 O LYS A 45 -0.050 -11.019 1.580 1.00 0.00 O ATOM 614 CB LYS A 45 1.926 -9.369 -0.560 1.00 0.00 C ATOM 615 CG LYS A 45 1.882 -10.827 -1.020 1.00 0.00 C ATOM 616 CD LYS A 45 0.633 -11.099 -1.862 1.00 0.00 C ATOM 617 CE LYS A 45 0.795 -12.377 -2.687 1.00 0.00 C ATOM 618 NZ LYS A 45 1.168 -12.049 -4.081 1.00 0.00 N ATOM 0 H LYS A 45 1.792 -7.238 0.679 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.116 -9.165 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.812 -8.709 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.899 -9.152 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.775 -11.055 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.891 -11.486 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.236 -11.190 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.447 -10.255 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.560 -13.012 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.136 -12.944 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.274 -12.927 -4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.425 -11.462 -4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.068 -11.527 -4.086 1.00 0.00 H new ATOM 632 N THR A 46 1.636 -9.891 2.579 1.00 0.00 N ATOM 633 CA THR A 46 1.694 -10.776 3.731 1.00 0.00 C ATOM 634 C THR A 46 2.622 -10.199 4.801 1.00 0.00 C ATOM 635 O THR A 46 3.228 -9.147 4.601 1.00 0.00 O ATOM 636 CB THR A 46 2.119 -12.162 3.241 1.00 0.00 C ATOM 637 OG1 THR A 46 2.235 -12.932 4.434 1.00 0.00 O ATOM 638 CG2 THR A 46 3.533 -12.168 2.655 1.00 0.00 C ATOM 0 H THR A 46 2.309 -9.125 2.595 1.00 0.00 H new ATOM 0 HA THR A 46 0.718 -10.869 4.208 1.00 0.00 H new ATOM 0 HB THR A 46 1.413 -12.513 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.506 -13.846 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.785 -13.175 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.579 -11.484 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.244 -11.849 3.417 1.00 0.00 H new ATOM 646 N VAL A 47 2.705 -10.912 5.914 1.00 0.00 N ATOM 647 CA VAL A 47 3.549 -10.484 7.017 1.00 0.00 C ATOM 648 C VAL A 47 4.412 -11.660 7.479 1.00 0.00 C ATOM 649 O VAL A 47 3.897 -12.741 7.757 1.00 0.00 O ATOM 650 CB VAL A 47 2.688 -9.897 8.138 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.549 -9.498 9.338 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.867 -8.709 7.633 1.00 0.00 C ATOM 0 H VAL A 47 2.201 -11.784 6.076 1.00 0.00 H new ATOM 0 HA VAL A 47 4.225 -9.691 6.696 1.00 0.00 H new ATOM 0 HB VAL A 47 1.993 -10.669 8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.913 -9.084 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.069 -10.376 9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.279 -8.749 9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.264 -8.310 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.538 -7.933 7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.213 -9.036 6.825 1.00 0.00 H new ATOM 662 N THR A 48 5.711 -11.408 7.547 1.00 0.00 N ATOM 663 CA THR A 48 6.651 -12.432 7.971 1.00 0.00 C ATOM 664 C THR A 48 6.295 -12.936 9.371 1.00 0.00 C ATOM 665 O THR A 48 5.856 -12.162 10.220 1.00 0.00 O ATOM 666 CB THR A 48 8.062 -11.848 7.875 1.00 0.00 C ATOM 667 OG1 THR A 48 8.433 -12.057 6.515 1.00 0.00 O ATOM 668 CG2 THR A 48 9.086 -12.659 8.671 1.00 0.00 C ATOM 0 H THR A 48 6.135 -10.510 7.316 1.00 0.00 H new ATOM 0 HA THR A 48 6.602 -13.307 7.323 1.00 0.00 H new ATOM 0 HB THR A 48 8.055 -10.819 8.236 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.335 -11.706 6.364 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.070 -12.202 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.800 -12.674 9.723 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.118 -13.679 8.289 1.00 0.00 H new ATOM 676 N GLU A 49 6.498 -14.230 9.568 1.00 0.00 N ATOM 677 CA GLU A 49 6.205 -14.846 10.851 1.00 0.00 C ATOM 678 C GLU A 49 7.269 -14.461 11.881 1.00 0.00 C ATOM 679 O GLU A 49 8.351 -15.045 11.908 1.00 0.00 O ATOM 680 CB GLU A 49 6.096 -16.366 10.717 1.00 0.00 C ATOM 681 CG GLU A 49 4.733 -16.863 11.204 1.00 0.00 C ATOM 682 CD GLU A 49 4.451 -18.278 10.694 1.00 0.00 C ATOM 683 OE1 GLU A 49 5.022 -19.219 11.287 1.00 0.00 O ATOM 684 OE2 GLU A 49 3.672 -18.387 9.723 1.00 0.00 O ATOM 0 H GLU A 49 6.862 -14.869 8.861 1.00 0.00 H new ATOM 0 HA GLU A 49 5.241 -14.475 11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.241 -16.654 9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.888 -16.843 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.707 -16.853 12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.951 -16.186 10.860 1.00 0.00 H new ATOM 691 N GLY A 50 6.924 -13.481 12.703 1.00 0.00 N ATOM 692 CA GLY A 50 7.836 -13.012 13.732 1.00 0.00 C ATOM 693 C GLY A 50 8.537 -11.723 13.298 1.00 0.00 C ATOM 694 O GLY A 50 9.577 -11.362 13.845 1.00 0.00 O ATOM 0 H GLY A 50 6.025 -12.999 12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.287 -12.838 14.657 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.579 -13.781 13.942 1.00 0.00 H new ATOM 698 N GLY A 51 7.937 -11.064 12.317 1.00 0.00 N ATOM 699 CA GLY A 51 8.490 -9.822 11.802 1.00 0.00 C ATOM 700 C GLY A 51 8.132 -8.644 12.710 1.00 0.00 C ATOM 701 O GLY A 51 7.543 -8.833 13.774 1.00 0.00 O ATOM 0 H GLY A 51 7.074 -11.366 11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.574 -9.908 11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.110 -9.640 10.797 1.00 0.00 H new ATOM 705 N ALA A 52 8.502 -7.455 12.258 1.00 0.00 N ATOM 706 CA ALA A 52 8.226 -6.247 13.016 1.00 0.00 C ATOM 707 C ALA A 52 6.728 -5.942 12.955 1.00 0.00 C ATOM 708 O ALA A 52 6.090 -5.739 13.987 1.00 0.00 O ATOM 709 CB ALA A 52 9.077 -5.098 12.472 1.00 0.00 C ATOM 0 H ALA A 52 8.991 -7.302 11.376 1.00 0.00 H new ATOM 0 HA ALA A 52 8.492 -6.383 14.064 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.870 -4.191 13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.133 -5.352 12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.835 -4.931 11.422 1.00 0.00 H new ATOM 715 N ALA A 53 6.210 -5.921 11.736 1.00 0.00 N ATOM 716 CA ALA A 53 4.799 -5.645 11.528 1.00 0.00 C ATOM 717 C ALA A 53 3.967 -6.778 12.131 1.00 0.00 C ATOM 718 O ALA A 53 2.822 -6.569 12.528 1.00 0.00 O ATOM 719 CB ALA A 53 4.531 -5.457 10.033 1.00 0.00 C ATOM 0 H ALA A 53 6.742 -6.091 10.882 1.00 0.00 H new ATOM 0 HA ALA A 53 4.511 -4.722 12.030 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.472 -5.250 9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.123 -4.622 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.806 -6.365 9.497 1.00 0.00 H new ATOM 725 N GLN A 54 4.575 -7.954 12.182 1.00 0.00 N ATOM 726 CA GLN A 54 3.905 -9.120 12.731 1.00 0.00 C ATOM 727 C GLN A 54 3.758 -8.983 14.247 1.00 0.00 C ATOM 728 O GLN A 54 2.644 -8.911 14.762 1.00 0.00 O ATOM 729 CB GLN A 54 4.653 -10.404 12.366 1.00 0.00 C ATOM 730 CG GLN A 54 3.703 -11.604 12.342 1.00 0.00 C ATOM 731 CD GLN A 54 3.629 -12.271 13.717 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.850 -11.656 14.747 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.306 -13.561 13.675 1.00 0.00 N ATOM 0 H GLN A 54 5.525 -8.124 11.852 1.00 0.00 H new ATOM 0 HA GLN A 54 2.909 -9.182 12.294 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.125 -10.289 11.390 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.451 -10.582 13.087 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.708 -11.279 12.037 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.043 -12.327 11.601 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.134 -14.015 12.778 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.231 -14.096 14.540 1.00 0.00 H new ATOM 742 N ARG A 55 4.899 -8.952 14.920 1.00 0.00 N ATOM 743 CA ARG A 55 4.912 -8.825 16.367 1.00 0.00 C ATOM 744 C ARG A 55 4.027 -7.656 16.805 1.00 0.00 C ATOM 745 O ARG A 55 3.256 -7.779 17.755 1.00 0.00 O ATOM 746 CB ARG A 55 6.333 -8.604 16.889 1.00 0.00 C ATOM 747 CG ARG A 55 7.159 -9.888 16.791 1.00 0.00 C ATOM 748 CD ARG A 55 8.589 -9.659 17.285 1.00 0.00 C ATOM 749 NE ARG A 55 9.347 -8.867 16.291 1.00 0.00 N ATOM 750 CZ ARG A 55 10.649 -8.568 16.404 1.00 0.00 C ATOM 751 NH1 ARG A 55 11.345 -8.994 17.467 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.255 -7.844 15.453 1.00 0.00 N ATOM 0 H ARG A 55 5.822 -9.013 14.489 1.00 0.00 H new ATOM 0 HA ARG A 55 4.525 -9.755 16.785 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.816 -7.812 16.316 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.296 -8.270 17.926 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.688 -10.674 17.382 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.178 -10.234 15.758 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.573 -9.137 18.242 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.083 -10.616 17.452 1.00 0.00 H new ATOM 0 HE ARG A 55 8.848 -8.527 15.469 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.884 -9.546 18.190 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.336 -8.766 17.553 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.726 -7.520 14.643 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.246 -7.616 15.539 1.00 0.00 H new ATOM 766 N ASP A 56 4.168 -6.549 16.091 1.00 0.00 N ATOM 767 CA ASP A 56 3.392 -5.359 16.394 1.00 0.00 C ATOM 768 C ASP A 56 1.928 -5.751 16.608 1.00 0.00 C ATOM 769 O ASP A 56 1.314 -5.356 17.598 1.00 0.00 O ATOM 770 CB ASP A 56 3.449 -4.355 15.241 1.00 0.00 C ATOM 771 CG ASP A 56 3.189 -2.900 15.636 1.00 0.00 C ATOM 772 OD1 ASP A 56 2.535 -2.705 16.684 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.650 -2.016 14.882 1.00 0.00 O ATOM 0 H ASP A 56 4.808 -6.451 15.303 1.00 0.00 H new ATOM 0 HA ASP A 56 3.812 -4.902 17.290 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.431 -4.418 14.772 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.717 -4.648 14.488 1.00 0.00 H new ATOM 778 N GLY A 57 1.412 -6.523 15.663 1.00 0.00 N ATOM 779 CA GLY A 57 0.032 -6.972 15.735 1.00 0.00 C ATOM 780 C GLY A 57 -0.918 -5.918 15.163 1.00 0.00 C ATOM 781 O GLY A 57 -2.121 -6.154 15.057 1.00 0.00 O ATOM 0 H GLY A 57 1.925 -6.849 14.844 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.080 -7.905 15.183 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.233 -7.181 16.772 1.00 0.00 H new ATOM 785 N ARG A 58 -0.343 -4.779 14.808 1.00 0.00 N ATOM 786 CA ARG A 58 -1.124 -3.688 14.250 1.00 0.00 C ATOM 787 C ARG A 58 -1.347 -3.907 12.752 1.00 0.00 C ATOM 788 O ARG A 58 -2.478 -4.105 12.311 1.00 0.00 O ATOM 789 CB ARG A 58 -0.424 -2.344 14.463 1.00 0.00 C ATOM 790 CG ARG A 58 -1.164 -1.500 15.502 1.00 0.00 C ATOM 791 CD ARG A 58 -2.672 -1.505 15.241 1.00 0.00 C ATOM 792 NE ARG A 58 -2.933 -1.624 13.789 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.098 -2.031 13.266 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.116 -2.360 14.073 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.244 -2.109 11.936 1.00 0.00 N ATOM 0 H ARG A 58 0.655 -4.588 14.896 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.084 -3.670 14.765 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.602 -2.512 14.790 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.373 -1.802 13.518 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.963 -1.888 16.501 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.791 -0.476 15.477 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.139 -2.335 15.772 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.119 -0.588 15.626 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.179 -1.381 13.146 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.004 -2.301 15.085 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.003 -2.670 13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.469 -1.859 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.130 -2.419 11.538 1.00 0.00 H new ATOM 809 N ILE A 59 -0.249 -3.865 12.011 1.00 0.00 N ATOM 810 CA ILE A 59 -0.311 -4.057 10.572 1.00 0.00 C ATOM 811 C ILE A 59 -0.690 -5.508 10.270 1.00 0.00 C ATOM 812 O ILE A 59 -0.086 -6.436 10.807 1.00 0.00 O ATOM 813 CB ILE A 59 0.999 -3.615 9.916 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.169 -2.096 10.000 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.090 -4.123 8.476 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.599 -1.726 10.400 1.00 0.00 C ATOM 0 H ILE A 59 0.688 -3.701 12.380 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.088 -3.428 10.137 1.00 0.00 H new ATOM 0 HB ILE A 59 1.825 -4.063 10.468 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.929 -1.646 9.037 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.467 -1.687 10.727 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.030 -3.795 8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.047 -5.212 8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.257 -3.724 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.693 -0.641 10.452 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.827 -2.158 11.374 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.297 -2.115 9.658 1.00 0.00 H new ATOM 828 N GLN A 60 -1.688 -5.660 9.412 1.00 0.00 N ATOM 829 CA GLN A 60 -2.155 -6.983 9.033 1.00 0.00 C ATOM 830 C GLN A 60 -1.925 -7.218 7.539 1.00 0.00 C ATOM 831 O GLN A 60 -1.451 -6.330 6.833 1.00 0.00 O ATOM 832 CB GLN A 60 -3.629 -7.169 9.398 1.00 0.00 C ATOM 833 CG GLN A 60 -3.990 -6.367 10.650 1.00 0.00 C ATOM 834 CD GLN A 60 -3.370 -6.995 11.900 1.00 0.00 C ATOM 835 OE1 GLN A 60 -2.801 -8.073 11.868 1.00 0.00 O ATOM 836 NE2 GLN A 60 -3.512 -6.261 13.000 1.00 0.00 N ATOM 0 H GLN A 60 -2.186 -4.889 8.968 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.581 -7.724 9.590 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.256 -6.851 8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.835 -8.226 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.640 -5.340 10.542 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.074 -6.324 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.000 -5.366 12.957 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.133 -6.593 13.887 1.00 0.00 H new ATOM 845 N VAL A 61 -2.271 -8.420 7.102 1.00 0.00 N ATOM 846 CA VAL A 61 -2.109 -8.784 5.705 1.00 0.00 C ATOM 847 C VAL A 61 -3.308 -8.270 4.906 1.00 0.00 C ATOM 848 O VAL A 61 -4.427 -8.229 5.415 1.00 0.00 O ATOM 849 CB VAL A 61 -1.910 -10.296 5.578 1.00 0.00 C ATOM 850 CG1 VAL A 61 -1.966 -10.735 4.113 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.598 -10.733 6.232 1.00 0.00 C ATOM 0 H VAL A 61 -2.663 -9.154 7.691 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.217 -8.316 5.289 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.727 -10.787 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.822 -11.814 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.937 -10.474 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.179 -10.231 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.481 -11.812 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.237 -10.229 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.614 -10.470 7.290 1.00 0.00 H new ATOM 861 N ASN A 62 -3.033 -7.890 3.667 1.00 0.00 N ATOM 862 CA ASN A 62 -4.075 -7.380 2.792 1.00 0.00 C ATOM 863 C ASN A 62 -4.388 -5.931 3.170 1.00 0.00 C ATOM 864 O ASN A 62 -5.377 -5.364 2.707 1.00 0.00 O ATOM 865 CB ASN A 62 -5.362 -8.194 2.935 1.00 0.00 C ATOM 866 CG ASN A 62 -5.061 -9.694 2.973 1.00 0.00 C ATOM 867 OD1 ASN A 62 -4.740 -10.314 1.972 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.182 -10.240 4.180 1.00 0.00 N ATOM 0 H ASN A 62 -2.104 -7.925 3.248 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.717 -7.450 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.883 -7.901 3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.030 -7.974 2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.002 -11.236 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.454 -9.663 4.976 1.00 0.00 H new ATOM 875 N ASP A 63 -3.526 -5.372 4.007 1.00 0.00 N ATOM 876 CA ASP A 63 -3.698 -4.000 4.453 1.00 0.00 C ATOM 877 C ASP A 63 -3.346 -3.048 3.307 1.00 0.00 C ATOM 878 O ASP A 63 -2.912 -3.486 2.243 1.00 0.00 O ATOM 879 CB ASP A 63 -2.776 -3.683 5.631 1.00 0.00 C ATOM 880 CG ASP A 63 -1.672 -2.667 5.334 1.00 0.00 C ATOM 881 OD1 ASP A 63 -1.060 -2.794 4.251 1.00 0.00 O ATOM 882 OD2 ASP A 63 -1.465 -1.785 6.195 1.00 0.00 O ATOM 0 H ASP A 63 -2.706 -5.845 4.388 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.735 -3.874 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.382 -3.308 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.314 -4.610 5.971 1.00 0.00 H new ATOM 887 N GLN A 64 -3.545 -1.764 3.565 1.00 0.00 N ATOM 888 CA GLN A 64 -3.253 -0.747 2.569 1.00 0.00 C ATOM 889 C GLN A 64 -2.417 0.376 3.186 1.00 0.00 C ATOM 890 O GLN A 64 -2.880 1.078 4.085 1.00 0.00 O ATOM 891 CB GLN A 64 -4.541 -0.197 1.954 1.00 0.00 C ATOM 892 CG GLN A 64 -4.235 0.707 0.758 1.00 0.00 C ATOM 893 CD GLN A 64 -5.397 1.665 0.483 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.466 1.566 1.062 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.128 2.593 -0.430 1.00 0.00 N ATOM 0 H GLN A 64 -3.905 -1.404 4.449 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.674 -1.206 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.178 -1.023 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.097 0.364 2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.327 1.278 0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.046 0.096 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.211 2.619 -0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.838 3.279 -0.684 1.00 0.00 H new ATOM 904 N ILE A 65 -1.200 0.512 2.680 1.00 0.00 N ATOM 905 CA ILE A 65 -0.296 1.538 3.170 1.00 0.00 C ATOM 906 C ILE A 65 -0.573 2.850 2.434 1.00 0.00 C ATOM 907 O ILE A 65 0.020 3.119 1.391 1.00 0.00 O ATOM 908 CB ILE A 65 1.156 1.067 3.062 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.351 -0.276 3.768 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.119 2.135 3.587 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.339 -1.159 3.002 1.00 0.00 C ATOM 0 H ILE A 65 -0.819 -0.072 1.935 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.469 1.724 4.230 1.00 0.00 H new ATOM 0 HB ILE A 65 1.388 0.913 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.717 -0.109 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.393 -0.788 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.144 1.775 3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.003 3.048 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.896 2.343 4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.460 -2.108 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.958 -1.344 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.303 -0.655 2.937 1.00 0.00 H new ATOM 923 N VAL A 66 -1.476 3.633 3.007 1.00 0.00 N ATOM 924 CA VAL A 66 -1.839 4.911 2.419 1.00 0.00 C ATOM 925 C VAL A 66 -0.651 5.869 2.517 1.00 0.00 C ATOM 926 O VAL A 66 -0.410 6.661 1.607 1.00 0.00 O ATOM 927 CB VAL A 66 -3.103 5.455 3.089 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.548 6.765 2.436 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.228 4.418 3.060 1.00 0.00 C ATOM 0 H VAL A 66 -1.967 3.407 3.872 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.073 4.792 1.361 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.867 5.664 4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.448 7.131 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.755 7.507 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.758 6.592 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.115 4.829 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.462 4.164 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.910 3.521 3.591 1.00 0.00 H new ATOM 939 N GLU A 67 0.061 5.766 3.630 1.00 0.00 N ATOM 940 CA GLU A 67 1.219 6.614 3.859 1.00 0.00 C ATOM 941 C GLU A 67 2.273 5.863 4.674 1.00 0.00 C ATOM 942 O GLU A 67 1.959 4.888 5.355 1.00 0.00 O ATOM 943 CB GLU A 67 0.815 7.917 4.552 1.00 0.00 C ATOM 944 CG GLU A 67 1.965 8.467 5.398 1.00 0.00 C ATOM 945 CD GLU A 67 1.547 9.745 6.128 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.158 10.700 5.421 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.625 9.738 7.375 1.00 0.00 O ATOM 0 H GLU A 67 -0.142 5.108 4.383 1.00 0.00 H new ATOM 0 HA GLU A 67 1.652 6.874 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.523 8.655 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.055 7.742 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.279 7.716 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.824 8.673 4.760 1.00 0.00 H new ATOM 954 N VAL A 68 3.503 6.346 4.579 1.00 0.00 N ATOM 955 CA VAL A 68 4.606 5.733 5.299 1.00 0.00 C ATOM 956 C VAL A 68 5.573 6.823 5.767 1.00 0.00 C ATOM 957 O VAL A 68 6.156 7.533 4.950 1.00 0.00 O ATOM 958 CB VAL A 68 5.278 4.674 4.423 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.793 4.886 4.372 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.939 3.264 4.910 1.00 0.00 C ATOM 0 H VAL A 68 3.760 7.155 4.014 1.00 0.00 H new ATOM 0 HA VAL A 68 4.242 5.218 6.188 1.00 0.00 H new ATOM 0 HB VAL A 68 4.890 4.781 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.247 4.120 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.009 5.871 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.204 4.818 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.429 2.530 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.286 3.140 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.860 3.115 4.872 1.00 0.00 H new ATOM 970 N ASP A 69 5.711 6.921 7.081 1.00 0.00 N ATOM 971 CA ASP A 69 6.597 7.913 7.668 1.00 0.00 C ATOM 972 C ASP A 69 6.237 9.297 7.125 1.00 0.00 C ATOM 973 O ASP A 69 7.050 10.219 7.177 1.00 0.00 O ATOM 974 CB ASP A 69 8.057 7.629 7.309 1.00 0.00 C ATOM 975 CG ASP A 69 8.862 6.912 8.394 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.541 7.138 9.581 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.781 6.155 8.013 1.00 0.00 O ATOM 0 H ASP A 69 5.225 6.330 7.756 1.00 0.00 H new ATOM 0 HA ASP A 69 6.478 7.873 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.082 7.026 6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.549 8.574 7.077 1.00 0.00 H new ATOM 982 N GLY A 70 5.018 9.399 6.616 1.00 0.00 N ATOM 983 CA GLY A 70 4.541 10.656 6.064 1.00 0.00 C ATOM 984 C GLY A 70 4.425 10.576 4.540 1.00 0.00 C ATOM 985 O GLY A 70 3.601 11.265 3.940 1.00 0.00 O ATOM 0 H GLY A 70 4.347 8.632 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.570 10.901 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.223 11.460 6.339 1.00 0.00 H new ATOM 989 N ILE A 71 5.262 9.730 3.959 1.00 0.00 N ATOM 990 CA ILE A 71 5.264 9.551 2.517 1.00 0.00 C ATOM 991 C ILE A 71 3.941 8.916 2.084 1.00 0.00 C ATOM 992 O ILE A 71 3.425 8.028 2.760 1.00 0.00 O ATOM 993 CB ILE A 71 6.499 8.762 2.076 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.778 9.566 2.316 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.370 8.310 0.620 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.006 8.807 1.808 1.00 0.00 C ATOM 0 H ILE A 71 5.944 9.161 4.460 1.00 0.00 H new ATOM 0 HA ILE A 71 5.335 10.515 2.014 1.00 0.00 H new ATOM 0 HB ILE A 71 6.566 7.862 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.707 10.529 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.888 9.772 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.261 7.752 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.492 7.673 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.265 9.183 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.902 9.400 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.088 7.855 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.904 8.624 0.738 1.00 0.00 H new ATOM 1008 N SER A 72 3.431 9.396 0.959 1.00 0.00 N ATOM 1009 CA SER A 72 2.178 8.886 0.428 1.00 0.00 C ATOM 1010 C SER A 72 2.453 7.760 -0.570 1.00 0.00 C ATOM 1011 O SER A 72 3.173 7.954 -1.548 1.00 0.00 O ATOM 1012 CB SER A 72 1.368 10.000 -0.238 1.00 0.00 C ATOM 1013 OG SER A 72 0.352 9.483 -1.092 1.00 0.00 O ATOM 0 H SER A 72 3.863 10.132 0.401 1.00 0.00 H new ATOM 0 HA SER A 72 1.590 8.492 1.257 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.913 10.626 0.530 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.036 10.639 -0.815 1.00 0.00 H new ATOM 0 HG SER A 72 -0.144 10.225 -1.497 1.00 0.00 H new ATOM 1019 N LEU A 73 1.864 6.606 -0.289 1.00 0.00 N ATOM 1020 CA LEU A 73 2.037 5.449 -1.150 1.00 0.00 C ATOM 1021 C LEU A 73 0.745 5.205 -1.933 1.00 0.00 C ATOM 1022 O LEU A 73 0.386 4.060 -2.203 1.00 0.00 O ATOM 1023 CB LEU A 73 2.500 4.239 -0.336 1.00 0.00 C ATOM 1024 CG LEU A 73 3.802 4.417 0.448 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.205 3.117 1.145 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.916 4.952 -0.454 1.00 0.00 C ATOM 0 H LEU A 73 1.267 6.448 0.523 1.00 0.00 H new ATOM 0 HA LEU A 73 2.825 5.632 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.709 3.974 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.620 3.394 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 73 3.632 5.160 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.133 3.272 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.419 2.817 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.350 2.335 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.830 5.069 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.092 4.251 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.620 5.918 -0.864 1.00 0.00 H new ATOM 1038 N VAL A 74 0.082 6.300 -2.276 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.161 6.219 -3.023 1.00 0.00 C ATOM 1040 C VAL A 74 -0.912 6.652 -4.468 1.00 0.00 C ATOM 1041 O VAL A 74 -0.153 7.588 -4.718 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.244 7.047 -2.328 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.549 7.024 -3.126 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.469 6.563 -0.894 1.00 0.00 C ATOM 0 H VAL A 74 0.383 7.248 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.524 5.192 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.898 8.080 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.302 7.620 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.376 7.439 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.901 5.996 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.243 7.168 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.782 5.519 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.542 6.656 -0.329 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.566 5.952 -5.384 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.425 6.253 -6.798 1.00 0.00 C ATOM 1056 C GLY A 75 0.049 6.287 -7.207 1.00 0.00 C ATOM 1057 O GLY A 75 0.478 7.189 -7.925 1.00 0.00 O ATOM 0 H GLY A 75 -2.195 5.177 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.952 5.503 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.889 7.215 -7.017 1.00 0.00 H new ATOM 1061 N VAL A 76 0.785 5.292 -6.733 1.00 0.00 N ATOM 1062 CA VAL A 76 2.202 5.196 -7.040 1.00 0.00 C ATOM 1063 C VAL A 76 2.534 3.760 -7.449 1.00 0.00 C ATOM 1064 O VAL A 76 1.918 2.813 -6.962 1.00 0.00 O ATOM 1065 CB VAL A 76 3.030 5.686 -5.851 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.535 7.049 -5.363 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.019 4.660 -4.716 1.00 0.00 C ATOM 0 H VAL A 76 0.426 4.545 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 76 2.455 5.841 -7.882 1.00 0.00 H new ATOM 0 HB VAL A 76 4.061 5.804 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.141 7.375 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.618 7.777 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.493 6.968 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.615 5.033 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.994 4.496 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.440 3.720 -5.071 1.00 0.00 H new ATOM 1077 N THR A 77 3.508 3.643 -8.340 1.00 0.00 N ATOM 1078 CA THR A 77 3.930 2.338 -8.820 1.00 0.00 C ATOM 1079 C THR A 77 4.615 1.553 -7.699 1.00 0.00 C ATOM 1080 O THR A 77 5.328 2.129 -6.880 1.00 0.00 O ATOM 1081 CB THR A 77 4.822 2.551 -10.045 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.207 1.233 -10.427 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.143 3.239 -9.696 1.00 0.00 C ATOM 0 H THR A 77 4.017 4.430 -8.742 1.00 0.00 H new ATOM 0 HA THR A 77 3.076 1.733 -9.123 1.00 0.00 H new ATOM 0 HB THR A 77 4.287 3.148 -10.784 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.787 1.277 -11.216 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.737 3.366 -10.601 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.940 4.215 -9.256 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.695 2.627 -8.982 1.00 0.00 H new ATOM 1091 N GLN A 78 4.373 0.250 -7.700 1.00 0.00 N ATOM 1092 CA GLN A 78 4.957 -0.619 -6.693 1.00 0.00 C ATOM 1093 C GLN A 78 6.389 -0.181 -6.379 1.00 0.00 C ATOM 1094 O GLN A 78 6.766 -0.068 -5.214 1.00 0.00 O ATOM 1095 CB GLN A 78 4.918 -2.081 -7.142 1.00 0.00 C ATOM 1096 CG GLN A 78 5.046 -3.026 -5.945 1.00 0.00 C ATOM 1097 CD GLN A 78 6.107 -4.098 -6.204 1.00 0.00 C ATOM 1098 OE1 GLN A 78 5.812 -5.225 -6.565 1.00 0.00 O ATOM 1099 NE2 GLN A 78 7.355 -3.684 -6.000 1.00 0.00 N ATOM 0 H GLN A 78 3.781 -0.224 -8.382 1.00 0.00 H new ATOM 0 HA GLN A 78 4.364 -0.536 -5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.984 -2.279 -7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.727 -2.270 -7.847 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.309 -2.456 -5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.085 -3.501 -5.747 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.532 -2.726 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.135 -4.325 -6.146 1.00 0.00 H new ATOM 1108 N ASN A 79 7.148 0.055 -7.439 1.00 0.00 N ATOM 1109 CA ASN A 79 8.530 0.479 -7.291 1.00 0.00 C ATOM 1110 C ASN A 79 8.608 1.592 -6.245 1.00 0.00 C ATOM 1111 O ASN A 79 9.200 1.409 -5.182 1.00 0.00 O ATOM 1112 CB ASN A 79 9.081 1.028 -8.608 1.00 0.00 C ATOM 1113 CG ASN A 79 10.210 0.144 -9.141 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.442 -0.960 -8.676 1.00 0.00 O ATOM 1115 ND2 ASN A 79 10.898 0.688 -10.141 1.00 0.00 N ATOM 0 H ASN A 79 6.832 -0.039 -8.404 1.00 0.00 H new ATOM 0 HA ASN A 79 9.118 -0.387 -6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.280 1.086 -9.345 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.449 2.043 -8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.672 0.176 -10.565 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.652 1.617 -10.483 1.00 0.00 H new ATOM 1122 N PHE A 80 8.002 2.721 -6.582 1.00 0.00 N ATOM 1123 CA PHE A 80 7.996 3.864 -5.684 1.00 0.00 C ATOM 1124 C PHE A 80 7.861 3.416 -4.227 1.00 0.00 C ATOM 1125 O PHE A 80 8.672 3.791 -3.382 1.00 0.00 O ATOM 1126 CB PHE A 80 6.783 4.718 -6.057 1.00 0.00 C ATOM 1127 CG PHE A 80 6.545 5.904 -5.120 1.00 0.00 C ATOM 1128 CD1 PHE A 80 5.904 5.717 -3.935 1.00 0.00 C ATOM 1129 CD2 PHE A 80 6.976 7.145 -5.471 1.00 0.00 C ATOM 1130 CE1 PHE A 80 5.684 6.817 -3.065 1.00 0.00 C ATOM 1131 CE2 PHE A 80 6.756 8.246 -4.601 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.115 8.059 -3.417 1.00 0.00 C ATOM 0 H PHE A 80 7.512 2.869 -7.464 1.00 0.00 H new ATOM 0 HA PHE A 80 8.930 4.418 -5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.913 5.091 -7.073 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.894 4.087 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.562 4.731 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.486 7.294 -6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.175 6.668 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.098 9.232 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.948 8.896 -2.756 1.00 0.00 H new ATOM 1142 N ALA A 81 6.832 2.620 -3.979 1.00 0.00 N ATOM 1143 CA ALA A 81 6.580 2.117 -2.639 1.00 0.00 C ATOM 1144 C ALA A 81 7.839 1.424 -2.115 1.00 0.00 C ATOM 1145 O ALA A 81 8.377 1.807 -1.077 1.00 0.00 O ATOM 1146 CB ALA A 81 5.368 1.184 -2.663 1.00 0.00 C ATOM 0 H ALA A 81 6.162 2.311 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 81 6.347 2.936 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.179 0.807 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.494 1.732 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.566 0.347 -3.333 1.00 0.00 H new ATOM 1152 N ALA A 82 8.273 0.415 -2.857 1.00 0.00 N ATOM 1153 CA ALA A 82 9.459 -0.335 -2.480 1.00 0.00 C ATOM 1154 C ALA A 82 10.526 0.631 -1.964 1.00 0.00 C ATOM 1155 O ALA A 82 11.067 0.441 -0.875 1.00 0.00 O ATOM 1156 CB ALA A 82 9.945 -1.156 -3.676 1.00 0.00 C ATOM 0 H ALA A 82 7.824 0.100 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 82 9.231 -1.034 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.835 -1.719 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.161 -1.847 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.186 -0.487 -4.503 1.00 0.00 H new ATOM 1162 N THR A 83 10.798 1.648 -2.769 1.00 0.00 N ATOM 1163 CA THR A 83 11.791 2.645 -2.407 1.00 0.00 C ATOM 1164 C THR A 83 11.445 3.277 -1.057 1.00 0.00 C ATOM 1165 O THR A 83 12.284 3.330 -0.159 1.00 0.00 O ATOM 1166 CB THR A 83 11.879 3.660 -3.548 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.361 2.900 -4.652 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.968 4.710 -3.315 1.00 0.00 C ATOM 0 H THR A 83 10.348 1.803 -3.671 1.00 0.00 H new ATOM 0 HA THR A 83 12.775 2.194 -2.277 1.00 0.00 H new ATOM 0 HB THR A 83 10.916 4.156 -3.667 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.446 3.481 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.988 5.406 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.756 5.256 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.936 4.217 -3.229 1.00 0.00 H new ATOM 1176 N VAL A 84 10.207 3.740 -0.956 1.00 0.00 N ATOM 1177 CA VAL A 84 9.740 4.366 0.269 1.00 0.00 C ATOM 1178 C VAL A 84 10.030 3.440 1.452 1.00 0.00 C ATOM 1179 O VAL A 84 10.677 3.845 2.417 1.00 0.00 O ATOM 1180 CB VAL A 84 8.258 4.726 0.141 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.684 5.172 1.487 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.045 5.798 -0.929 1.00 0.00 C ATOM 0 H VAL A 84 9.514 3.694 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 84 10.273 5.300 0.448 1.00 0.00 H new ATOM 0 HB VAL A 84 7.721 3.830 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.630 5.422 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.786 4.364 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.227 6.048 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.984 6.036 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.601 6.696 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.399 5.427 -1.891 1.00 0.00 H new ATOM 1192 N LEU A 85 9.538 2.216 1.339 1.00 0.00 N ATOM 1193 CA LEU A 85 9.736 1.230 2.388 1.00 0.00 C ATOM 1194 C LEU A 85 11.235 0.986 2.576 1.00 0.00 C ATOM 1195 O LEU A 85 11.669 0.565 3.647 1.00 0.00 O ATOM 1196 CB LEU A 85 8.940 -0.041 2.086 1.00 0.00 C ATOM 1197 CG LEU A 85 7.424 0.129 1.965 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.770 -1.143 1.422 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.813 0.563 3.300 1.00 0.00 C ATOM 0 H LEU A 85 9.002 1.884 0.537 1.00 0.00 H new ATOM 0 HA LEU A 85 9.351 1.602 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.313 -0.467 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.142 -0.768 2.873 1.00 0.00 H new ATOM 0 HG LEU A 85 7.226 0.924 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.693 -0.994 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.176 -1.368 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.975 -1.974 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.735 0.677 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.021 -0.192 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.248 1.514 3.607 1.00 0.00 H new ATOM 1211 N ARG A 86 11.984 1.262 1.519 1.00 0.00 N ATOM 1212 CA ARG A 86 13.425 1.078 1.554 1.00 0.00 C ATOM 1213 C ARG A 86 14.101 2.299 2.181 1.00 0.00 C ATOM 1214 O ARG A 86 15.176 2.185 2.768 1.00 0.00 O ATOM 1215 CB ARG A 86 13.987 0.859 0.148 1.00 0.00 C ATOM 1216 CG ARG A 86 15.512 0.981 0.142 1.00 0.00 C ATOM 1217 CD ARG A 86 16.150 -0.155 -0.660 1.00 0.00 C ATOM 1218 NE ARG A 86 17.468 -0.503 -0.084 1.00 0.00 N ATOM 1219 CZ ARG A 86 18.312 -1.393 -0.624 1.00 0.00 C ATOM 1220 NH1 ARG A 86 17.981 -2.030 -1.755 1.00 0.00 N ATOM 1221 NH2 ARG A 86 19.488 -1.645 -0.032 1.00 0.00 N ATOM 0 H ARG A 86 11.620 1.612 0.633 1.00 0.00 H new ATOM 0 HA ARG A 86 13.631 0.194 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.696 -0.127 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.557 1.590 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.802 1.941 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.886 0.963 1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.498 -1.028 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.267 0.145 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 86 17.752 -0.036 0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.086 -1.838 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.624 -2.707 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.740 -1.160 0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.131 -2.322 -0.442 1.00 0.00 H new ATOM 1235 N ASN A 87 13.442 3.439 2.037 1.00 0.00 N ATOM 1236 CA ASN A 87 13.965 4.680 2.582 1.00 0.00 C ATOM 1237 C ASN A 87 13.774 4.686 4.100 1.00 0.00 C ATOM 1238 O ASN A 87 14.705 4.986 4.846 1.00 0.00 O ATOM 1239 CB ASN A 87 13.225 5.890 2.008 1.00 0.00 C ATOM 1240 CG ASN A 87 14.003 6.506 0.843 1.00 0.00 C ATOM 1241 OD1 ASN A 87 13.420 6.344 -0.342 1.00 0.00 O flip ATOM 1242 ND2 ASN A 87 15.062 7.089 1.008 1.00 0.00 N flip ATOM 0 H ASN A 87 12.550 3.529 1.551 1.00 0.00 H new ATOM 0 HA ASN A 87 15.021 4.745 2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.234 5.588 1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.081 6.637 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.455 7.178 1.945 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.555 7.488 0.209 1.00 0.00 H new ATOM 1249 N THR A 88 12.560 4.352 4.513 1.00 0.00 N ATOM 1250 CA THR A 88 12.234 4.315 5.928 1.00 0.00 C ATOM 1251 C THR A 88 13.429 3.804 6.737 1.00 0.00 C ATOM 1252 O THR A 88 14.246 3.039 6.228 1.00 0.00 O ATOM 1253 CB THR A 88 10.975 3.464 6.102 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.332 2.199 5.553 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.820 3.941 5.219 1.00 0.00 C ATOM 0 H THR A 88 11.790 4.104 3.892 1.00 0.00 H new ATOM 0 HA THR A 88 12.024 5.314 6.311 1.00 0.00 H new ATOM 0 HB THR A 88 10.665 3.483 7.147 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.935 2.105 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.951 3.303 5.381 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.568 4.970 5.475 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.118 3.890 4.172 1.00 0.00 H new ATOM 1263 N LYS A 89 13.492 4.249 7.984 1.00 0.00 N ATOM 1264 CA LYS A 89 14.573 3.847 8.868 1.00 0.00 C ATOM 1265 C LYS A 89 13.986 3.172 10.109 1.00 0.00 C ATOM 1266 O LYS A 89 12.783 2.924 10.175 1.00 0.00 O ATOM 1267 CB LYS A 89 15.477 5.040 9.186 1.00 0.00 C ATOM 1268 CG LYS A 89 16.405 5.353 8.010 1.00 0.00 C ATOM 1269 CD LYS A 89 17.870 5.340 8.449 1.00 0.00 C ATOM 1270 CE LYS A 89 18.361 3.909 8.679 1.00 0.00 C ATOM 1271 NZ LYS A 89 19.807 3.803 8.384 1.00 0.00 N ATOM 0 H LYS A 89 12.812 4.884 8.403 1.00 0.00 H new ATOM 0 HA LYS A 89 15.213 3.113 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.866 5.913 9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.070 4.825 10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.253 4.621 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.155 6.329 7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.485 5.822 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.984 5.919 9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.172 3.615 9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.803 3.220 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.123 2.826 8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.979 4.063 7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.336 4.446 9.007 1.00 0.00 H new ATOM 1285 N GLY A 90 14.863 2.894 11.062 1.00 0.00 N ATOM 1286 CA GLY A 90 14.447 2.252 12.298 1.00 0.00 C ATOM 1287 C GLY A 90 12.935 2.379 12.499 1.00 0.00 C ATOM 1288 O GLY A 90 12.185 1.453 12.195 1.00 0.00 O ATOM 0 H GLY A 90 15.860 3.101 11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.728 1.199 12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.969 2.705 13.141 1.00 0.00 H new ATOM 1292 N ASN A 91 12.533 3.533 13.011 1.00 0.00 N ATOM 1293 CA ASN A 91 11.125 3.792 13.257 1.00 0.00 C ATOM 1294 C ASN A 91 10.436 4.135 11.935 1.00 0.00 C ATOM 1295 O ASN A 91 10.980 4.880 11.122 1.00 0.00 O ATOM 1296 CB ASN A 91 10.941 4.978 14.207 1.00 0.00 C ATOM 1297 CG ASN A 91 9.470 5.148 14.592 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.778 6.037 14.123 1.00 0.00 O ATOM 1299 ND2 ASN A 91 9.033 4.250 15.470 1.00 0.00 N ATOM 0 H ASN A 91 13.158 4.299 13.262 1.00 0.00 H new ATOM 0 HA ASN A 91 10.691 2.899 13.706 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.540 4.826 15.105 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.304 5.889 13.732 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.065 4.279 15.791 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.666 3.532 15.823 1.00 0.00 H new ATOM 1306 N VAL A 92 9.248 3.573 11.760 1.00 0.00 N ATOM 1307 CA VAL A 92 8.479 3.809 10.551 1.00 0.00 C ATOM 1308 C VAL A 92 7.000 3.958 10.913 1.00 0.00 C ATOM 1309 O VAL A 92 6.451 3.136 11.645 1.00 0.00 O ATOM 1310 CB VAL A 92 8.737 2.691 9.539 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.001 2.959 8.225 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.237 2.504 9.299 1.00 0.00 C ATOM 0 H VAL A 92 8.800 2.955 12.436 1.00 0.00 H new ATOM 0 HA VAL A 92 8.792 4.738 10.075 1.00 0.00 H new ATOM 0 HB VAL A 92 8.346 1.764 9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.202 2.149 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.929 3.018 8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.347 3.901 7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.393 1.703 8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.662 3.430 8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.726 2.245 10.238 1.00 0.00 H new ATOM 1322 N ARG A 93 6.397 5.012 10.383 1.00 0.00 N ATOM 1323 CA ARG A 93 4.992 5.279 10.642 1.00 0.00 C ATOM 1324 C ARG A 93 4.144 4.870 9.436 1.00 0.00 C ATOM 1325 O ARG A 93 4.165 5.538 8.403 1.00 0.00 O ATOM 1326 CB ARG A 93 4.759 6.761 10.942 1.00 0.00 C ATOM 1327 CG ARG A 93 3.916 6.938 12.207 1.00 0.00 C ATOM 1328 CD ARG A 93 3.245 8.313 12.230 1.00 0.00 C ATOM 1329 NE ARG A 93 3.190 8.826 13.617 1.00 0.00 N ATOM 1330 CZ ARG A 93 2.883 10.090 13.938 1.00 0.00 C ATOM 1331 NH1 ARG A 93 2.600 10.977 12.974 1.00 0.00 N ATOM 1332 NH2 ARG A 93 2.858 10.467 15.224 1.00 0.00 N ATOM 0 H ARG A 93 6.855 5.691 9.776 1.00 0.00 H new ATOM 0 HA ARG A 93 4.698 4.694 11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.717 7.266 11.065 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.257 7.232 10.097 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.156 6.158 12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.547 6.822 13.088 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.799 9.008 11.598 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.238 8.242 11.819 1.00 0.00 H new ATOM 0 HE ARG A 93 3.399 8.177 14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.618 10.690 11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.366 11.939 13.219 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.073 9.792 15.958 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.624 11.429 15.469 1.00 0.00 H new ATOM 1346 N PHE A 94 3.417 3.776 9.607 1.00 0.00 N ATOM 1347 CA PHE A 94 2.563 3.271 8.546 1.00 0.00 C ATOM 1348 C PHE A 94 1.101 3.649 8.792 1.00 0.00 C ATOM 1349 O PHE A 94 0.541 3.329 9.839 1.00 0.00 O ATOM 1350 CB PHE A 94 2.691 1.746 8.556 1.00 0.00 C ATOM 1351 CG PHE A 94 4.097 1.238 8.226 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.523 1.208 6.935 1.00 0.00 C ATOM 1353 CD2 PHE A 94 4.919 0.817 9.224 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.827 0.737 6.629 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.223 0.345 8.918 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.649 0.315 7.627 1.00 0.00 C ATOM 0 H PHE A 94 3.402 3.225 10.465 1.00 0.00 H new ATOM 0 HA PHE A 94 2.865 3.699 7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.403 1.374 9.539 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.986 1.328 7.837 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.870 1.542 6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.580 0.842 10.249 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.166 0.714 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.876 0.010 9.710 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.641 -0.044 7.394 1.00 0.00 H new ATOM 1366 N VAL A 95 0.524 4.325 7.808 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.862 4.750 7.905 1.00 0.00 C ATOM 1368 C VAL A 95 -1.743 3.782 7.113 1.00 0.00 C ATOM 1369 O VAL A 95 -1.932 3.952 5.909 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.998 6.201 7.439 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.433 6.505 7.006 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.535 7.172 8.527 1.00 0.00 C ATOM 0 H VAL A 95 0.991 4.588 6.940 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.199 4.723 8.941 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.351 6.337 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.502 7.543 6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.712 5.846 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.109 6.343 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.642 8.196 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.143 7.034 9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.511 6.979 8.766 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.260 2.788 7.820 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.118 1.794 7.198 1.00 0.00 C ATOM 1384 C ILE A 96 -4.533 2.360 7.062 1.00 0.00 C ATOM 1385 O ILE A 96 -4.943 3.211 7.850 1.00 0.00 O ATOM 1386 CB ILE A 96 -3.055 0.474 7.970 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.635 0.199 8.471 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.598 -0.681 7.126 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.601 0.510 7.387 1.00 0.00 C ATOM 0 H ILE A 96 -2.101 2.650 8.818 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.768 1.565 6.191 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.695 0.561 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.434 0.804 9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.548 -0.845 8.773 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.542 -1.607 7.698 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.636 -0.481 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.003 -0.779 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.399 0.306 7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.790 -0.114 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.674 1.560 7.105 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.240 1.865 6.057 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.600 2.310 5.808 1.00 0.00 C ATOM 1403 C GLY A 97 -7.593 1.157 5.968 1.00 0.00 C ATOM 1404 O GLY A 97 -7.673 0.279 5.111 1.00 0.00 O ATOM 0 H GLY A 97 -4.896 1.160 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.856 3.113 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.673 2.721 4.801 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.324 1.197 7.073 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.308 0.167 7.357 1.00 0.00 C ATOM 1410 C ARG A 98 -10.710 0.654 6.984 1.00 0.00 C ATOM 1411 O ARG A 98 -11.011 1.840 7.108 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.287 -0.222 8.836 1.00 0.00 C ATOM 1413 CG ARG A 98 -9.160 -1.738 9.003 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.852 -2.104 9.708 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.182 -3.211 8.990 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.607 -4.482 9.004 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.702 -4.814 9.700 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.935 -5.420 8.322 1.00 0.00 N ATOM 0 H ARG A 98 -8.254 1.927 7.782 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.053 -0.708 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.454 0.273 9.334 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.200 0.126 9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.005 -2.116 9.578 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.198 -2.220 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.195 -1.235 9.747 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.054 -2.398 10.738 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.344 -2.993 8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.212 -4.100 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.026 -5.781 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.101 -5.166 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.258 -6.387 8.332 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.529 -0.286 6.536 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.891 0.034 6.145 1.00 0.00 C ATOM 1434 C GLU A 99 -13.737 0.352 7.379 1.00 0.00 C ATOM 1435 O GLU A 99 -13.947 -0.510 8.231 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.511 -1.107 5.335 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.492 -0.790 3.838 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.208 -2.047 3.014 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -13.797 -3.095 3.357 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -12.408 -1.932 2.061 1.00 0.00 O ATOM 0 H GLU A 99 -11.276 -1.269 6.435 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.867 0.918 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.963 -2.030 5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.537 -1.274 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.451 -0.365 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.732 -0.037 3.632 1.00 0.00 H new