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+ 159:sc= 0.685 (180deg=0.477) USER MOD Set 1.2: A 88 THR OG1 : rot -95:sc= 0.973 USER MOD Single : A 25 SER OG : rot -140:sc= -1.41 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= -0.42! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.48) USER MOD Single : A 60 GLN : amide:sc= -1.26! K(o=-1.3!,f=-3.6) USER MOD Single : A 62 ASN : amide:sc= -4.52! C(o=-4.5!,f=-4.5!) USER MOD Single : A 64 GLN : amide:sc=-0.00725 K(o=-0.0072,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= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.45) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.414 4.153 7.352 1.00 0.00 N ATOM 86 CA GLU A 9 -9.805 4.391 8.649 1.00 0.00 C ATOM 87 C GLU A 9 -8.286 4.510 8.510 1.00 0.00 C ATOM 88 O GLU A 9 -7.579 3.504 8.512 1.00 0.00 O ATOM 89 CB GLU A 9 -10.180 3.289 9.641 1.00 0.00 C ATOM 90 CG GLU A 9 -9.045 3.036 10.635 1.00 0.00 C ATOM 91 CD GLU A 9 -9.586 2.491 11.959 1.00 0.00 C ATOM 92 OE1 GLU A 9 -9.896 3.328 12.833 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.677 1.249 12.065 1.00 0.00 O ATOM 0 HA GLU A 9 -10.189 5.333 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.084 3.572 10.180 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.406 2.370 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.335 2.327 10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.501 3.963 10.815 1.00 0.00 H new ATOM 100 N LEU A 10 -7.830 5.749 8.391 1.00 0.00 N ATOM 101 CA LEU A 10 -6.408 6.012 8.251 1.00 0.00 C ATOM 102 C LEU A 10 -5.805 6.282 9.630 1.00 0.00 C ATOM 103 O LEU A 10 -6.086 7.311 10.244 1.00 0.00 O ATOM 104 CB LEU A 10 -6.169 7.139 7.243 1.00 0.00 C ATOM 105 CG LEU A 10 -6.819 6.960 5.870 1.00 0.00 C ATOM 106 CD1 LEU A 10 -7.004 5.477 5.540 1.00 0.00 C ATOM 107 CD2 LEU A 10 -8.135 7.735 5.781 1.00 0.00 C ATOM 0 H LEU A 10 -8.420 6.581 8.389 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.897 5.139 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.533 8.070 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.094 7.252 7.102 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.149 7.376 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.468 5.378 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.033 4.982 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.643 5.014 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.576 7.591 4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.824 7.371 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.944 8.796 5.941 1.00 0.00 H new ATOM 119 N PHE A 11 -4.987 5.341 10.078 1.00 0.00 N ATOM 120 CA PHE A 11 -4.342 5.465 11.374 1.00 0.00 C ATOM 121 C PHE A 11 -2.843 5.177 11.270 1.00 0.00 C ATOM 122 O PHE A 11 -2.437 4.197 10.646 1.00 0.00 O ATOM 123 CB PHE A 11 -4.986 4.426 12.295 1.00 0.00 C ATOM 124 CG PHE A 11 -4.967 3.002 11.737 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.883 2.625 10.805 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.035 2.113 12.172 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.866 1.304 10.286 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.018 0.791 11.653 1.00 0.00 C ATOM 129 CZ PHE A 11 -4.934 0.414 10.721 1.00 0.00 C ATOM 0 H PHE A 11 -4.756 4.489 9.566 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.464 6.479 11.755 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.469 4.436 13.254 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.019 4.716 12.487 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.624 3.331 10.460 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.308 2.412 12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.593 1.005 9.546 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.277 0.085 11.999 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.921 -0.591 10.327 1.00 0.00 H new ATOM 139 N PRO A 12 -2.040 6.071 11.907 1.00 0.00 N ATOM 140 CA PRO A 12 -0.595 5.923 11.892 1.00 0.00 C ATOM 141 C PRO A 12 -0.149 4.801 12.832 1.00 0.00 C ATOM 142 O PRO A 12 -0.596 4.730 13.976 1.00 0.00 O ATOM 143 CB PRO A 12 -0.055 7.285 12.296 1.00 0.00 C ATOM 144 CG PRO A 12 -1.211 8.008 12.969 1.00 0.00 C ATOM 145 CD PRO A 12 -2.486 7.243 12.655 1.00 0.00 C ATOM 0 HA PRO A 12 -0.213 5.632 10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.791 7.184 12.976 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.299 7.839 11.426 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.053 8.061 14.046 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.282 9.034 12.607 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.010 6.955 13.567 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.177 7.848 12.068 1.00 0.00 H new ATOM 153 N VAL A 13 0.727 3.952 12.315 1.00 0.00 N ATOM 154 CA VAL A 13 1.238 2.837 13.094 1.00 0.00 C ATOM 155 C VAL A 13 2.763 2.930 13.169 1.00 0.00 C ATOM 156 O VAL A 13 3.444 2.863 12.146 1.00 0.00 O ATOM 157 CB VAL A 13 0.748 1.515 12.499 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.573 0.338 13.025 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.742 1.308 12.776 1.00 0.00 C ATOM 0 H VAL A 13 1.096 4.014 11.366 1.00 0.00 H new ATOM 0 HA VAL A 13 0.859 2.879 14.115 1.00 0.00 H new ATOM 0 HB VAL A 13 0.884 1.563 11.419 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.204 -0.589 12.587 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.619 0.477 12.753 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.484 0.287 14.110 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.065 0.361 12.343 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.913 1.291 13.852 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.312 2.124 12.331 1.00 0.00 H new ATOM 169 N GLU A 14 3.256 3.083 14.389 1.00 0.00 N ATOM 170 CA GLU A 14 4.688 3.185 14.611 1.00 0.00 C ATOM 171 C GLU A 14 5.323 1.793 14.635 1.00 0.00 C ATOM 172 O GLU A 14 4.971 0.961 15.470 1.00 0.00 O ATOM 173 CB GLU A 14 4.989 3.947 15.903 1.00 0.00 C ATOM 174 CG GLU A 14 4.953 5.459 15.670 1.00 0.00 C ATOM 175 CD GLU A 14 4.274 6.178 16.837 1.00 0.00 C ATOM 176 OE1 GLU A 14 4.701 5.925 17.985 1.00 0.00 O ATOM 177 OE2 GLU A 14 3.344 6.964 16.556 1.00 0.00 O ATOM 0 H GLU A 14 2.689 3.139 15.235 1.00 0.00 H new ATOM 0 HA GLU A 14 5.124 3.747 13.786 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.261 3.676 16.667 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.970 3.657 16.280 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.968 5.836 15.547 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.419 5.675 14.745 1.00 0.00 H new ATOM 184 N LEU A 15 6.246 1.583 13.709 1.00 0.00 N ATOM 185 CA LEU A 15 6.933 0.307 13.613 1.00 0.00 C ATOM 186 C LEU A 15 8.435 0.525 13.804 1.00 0.00 C ATOM 187 O LEU A 15 9.001 1.479 13.272 1.00 0.00 O ATOM 188 CB LEU A 15 6.576 -0.397 12.302 1.00 0.00 C ATOM 189 CG LEU A 15 5.635 -1.597 12.420 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.330 -2.192 11.043 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.199 -2.643 13.384 1.00 0.00 C ATOM 0 H LEU A 15 6.534 2.276 13.018 1.00 0.00 H new ATOM 0 HA LEU A 15 6.604 -0.363 14.408 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.120 0.333 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.499 -0.730 11.828 1.00 0.00 H new ATOM 0 HG LEU A 15 4.690 -1.250 12.838 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.659 -3.044 11.155 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.856 -1.436 10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.258 -2.520 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.511 -3.486 13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.165 -2.991 13.019 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.323 -2.198 14.371 1.00 0.00 H new ATOM 203 N GLU A 16 9.040 -0.376 14.566 1.00 0.00 N ATOM 204 CA GLU A 16 10.465 -0.293 14.834 1.00 0.00 C ATOM 205 C GLU A 16 11.219 -1.352 14.026 1.00 0.00 C ATOM 206 O GLU A 16 11.133 -2.542 14.323 1.00 0.00 O ATOM 207 CB GLU A 16 10.751 -0.439 16.330 1.00 0.00 C ATOM 208 CG GLU A 16 11.314 0.860 16.910 1.00 0.00 C ATOM 209 CD GLU A 16 12.287 0.573 18.055 1.00 0.00 C ATOM 210 OE1 GLU A 16 13.401 0.097 17.747 1.00 0.00 O ATOM 211 OE2 GLU A 16 11.895 0.836 19.212 1.00 0.00 O ATOM 0 H GLU A 16 8.569 -1.166 15.006 1.00 0.00 H new ATOM 0 HA GLU A 16 10.817 0.691 14.525 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.834 -0.708 16.855 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.460 -1.251 16.491 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.824 1.421 16.127 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.497 1.486 17.270 1.00 0.00 H new ATOM 218 N LYS A 17 11.942 -0.879 13.021 1.00 0.00 N ATOM 219 CA LYS A 17 12.710 -1.770 12.168 1.00 0.00 C ATOM 220 C LYS A 17 13.331 -2.877 13.022 1.00 0.00 C ATOM 221 O LYS A 17 13.516 -2.706 14.226 1.00 0.00 O ATOM 222 CB LYS A 17 13.732 -0.978 11.349 1.00 0.00 C ATOM 223 CG LYS A 17 13.113 -0.464 10.048 1.00 0.00 C ATOM 224 CD LYS A 17 14.197 -0.037 9.056 1.00 0.00 C ATOM 225 CE LYS A 17 13.741 -0.266 7.614 1.00 0.00 C ATOM 226 NZ LYS A 17 14.694 0.352 6.665 1.00 0.00 N ATOM 0 H LYS A 17 12.012 0.109 12.779 1.00 0.00 H new ATOM 0 HA LYS A 17 12.060 -2.256 11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.102 -0.138 11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.590 -1.610 11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.494 -1.243 9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.458 0.380 10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.435 1.016 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.111 -0.600 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.663 -1.335 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.747 0.158 7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.590 -0.091 5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.497 1.370 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.666 0.212 7.008 1.00 0.00 H new ATOM 240 N ASP A 18 13.636 -3.986 12.365 1.00 0.00 N ATOM 241 CA ASP A 18 14.232 -5.121 13.050 1.00 0.00 C ATOM 242 C ASP A 18 15.548 -5.491 12.363 1.00 0.00 C ATOM 243 O ASP A 18 15.909 -4.901 11.346 1.00 0.00 O ATOM 244 CB ASP A 18 13.312 -6.342 12.997 1.00 0.00 C ATOM 245 CG ASP A 18 11.876 -6.091 13.463 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.659 -5.026 14.082 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.029 -6.968 13.190 1.00 0.00 O ATOM 0 H ASP A 18 13.482 -4.123 11.366 1.00 0.00 H new ATOM 0 HA ASP A 18 14.397 -4.839 14.090 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.286 -6.714 11.973 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.745 -7.131 13.612 1.00 0.00 H new ATOM 252 N GLU A 19 16.229 -6.467 12.946 1.00 0.00 N ATOM 253 CA GLU A 19 17.497 -6.922 12.403 1.00 0.00 C ATOM 254 C GLU A 19 17.372 -7.172 10.899 1.00 0.00 C ATOM 255 O GLU A 19 18.367 -7.150 10.177 1.00 0.00 O ATOM 256 CB GLU A 19 17.985 -8.178 13.128 1.00 0.00 C ATOM 257 CG GLU A 19 17.408 -9.441 12.485 1.00 0.00 C ATOM 258 CD GLU A 19 17.155 -10.525 13.535 1.00 0.00 C ATOM 259 OE1 GLU A 19 16.255 -10.303 14.374 1.00 0.00 O ATOM 260 OE2 GLU A 19 17.868 -11.550 13.476 1.00 0.00 O ATOM 0 H GLU A 19 15.926 -6.955 13.789 1.00 0.00 H new ATOM 0 HA GLU A 19 18.239 -6.139 12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.074 -8.217 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.693 -8.134 14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.476 -9.200 11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.098 -9.816 11.729 1.00 0.00 H new ATOM 267 N ASP A 20 16.139 -7.403 10.470 1.00 0.00 N ATOM 268 CA ASP A 20 15.871 -7.656 9.065 1.00 0.00 C ATOM 269 C ASP A 20 15.282 -6.396 8.428 1.00 0.00 C ATOM 270 O ASP A 20 15.381 -6.205 7.216 1.00 0.00 O ATOM 271 CB ASP A 20 14.858 -8.790 8.893 1.00 0.00 C ATOM 272 CG ASP A 20 14.339 -8.984 7.467 1.00 0.00 C ATOM 273 OD1 ASP A 20 13.422 -8.224 7.088 1.00 0.00 O ATOM 274 OD2 ASP A 20 14.872 -9.887 6.787 1.00 0.00 O ATOM 0 H ASP A 20 15.315 -7.420 11.071 1.00 0.00 H new ATOM 0 HA ASP A 20 16.810 -7.936 8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.317 -9.721 9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.009 -8.601 9.550 1.00 0.00 H new ATOM 279 N GLY A 21 14.683 -5.569 9.272 1.00 0.00 N ATOM 280 CA GLY A 21 14.079 -4.332 8.806 1.00 0.00 C ATOM 281 C GLY A 21 12.603 -4.259 9.203 1.00 0.00 C ATOM 282 O GLY A 21 12.254 -4.507 10.357 1.00 0.00 O ATOM 0 H GLY A 21 14.603 -5.731 10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.615 -3.481 9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.172 -4.264 7.722 1.00 0.00 H new ATOM 286 N LEU A 22 11.777 -3.918 8.226 1.00 0.00 N ATOM 287 CA LEU A 22 10.347 -3.809 8.459 1.00 0.00 C ATOM 288 C LEU A 22 9.768 -5.203 8.709 1.00 0.00 C ATOM 289 O LEU A 22 9.103 -5.432 9.719 1.00 0.00 O ATOM 290 CB LEU A 22 9.671 -3.060 7.309 1.00 0.00 C ATOM 291 CG LEU A 22 10.284 -1.708 6.938 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.812 -1.253 5.555 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.995 -0.661 8.015 1.00 0.00 C ATOM 0 H LEU A 22 12.070 -3.713 7.271 1.00 0.00 H new ATOM 0 HA LEU A 22 10.151 -3.216 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.688 -3.699 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.624 -2.903 7.569 1.00 0.00 H new ATOM 0 HG LEU A 22 11.366 -1.826 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.262 -0.290 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.111 -1.989 4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.726 -1.156 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.442 0.291 7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.917 -0.538 8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.420 -0.988 8.964 1.00 0.00 H new ATOM 305 N GLY A 23 10.041 -6.100 7.772 1.00 0.00 N ATOM 306 CA GLY A 23 9.556 -7.465 7.878 1.00 0.00 C ATOM 307 C GLY A 23 8.092 -7.562 7.443 1.00 0.00 C ATOM 308 O GLY A 23 7.271 -8.152 8.142 1.00 0.00 O ATOM 0 H GLY A 23 10.592 -5.907 6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.167 -8.121 7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.657 -7.812 8.906 1.00 0.00 H new ATOM 312 N ILE A 24 7.811 -6.973 6.289 1.00 0.00 N ATOM 313 CA ILE A 24 6.461 -6.986 5.752 1.00 0.00 C ATOM 314 C ILE A 24 6.525 -7.068 4.226 1.00 0.00 C ATOM 315 O ILE A 24 7.537 -6.714 3.623 1.00 0.00 O ATOM 316 CB ILE A 24 5.667 -5.786 6.271 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.443 -4.483 6.063 1.00 0.00 C ATOM 318 CG2 ILE A 24 5.264 -5.985 7.734 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.490 -3.294 5.922 1.00 0.00 C ATOM 0 H ILE A 24 8.495 -6.484 5.712 1.00 0.00 H new ATOM 0 HA ILE A 24 5.922 -7.869 6.096 1.00 0.00 H new ATOM 0 HB ILE A 24 4.747 -5.710 5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.115 -4.317 6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.064 -4.564 5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.701 -5.117 8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.645 -6.878 7.823 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.159 -6.102 8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.067 -2.381 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.836 -3.452 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.888 -3.201 6.826 1.00 0.00 H new ATOM 331 N SER A 25 5.431 -7.537 3.644 1.00 0.00 N ATOM 332 CA SER A 25 5.350 -7.670 2.200 1.00 0.00 C ATOM 333 C SER A 25 4.292 -6.714 1.645 1.00 0.00 C ATOM 334 O SER A 25 3.324 -6.389 2.330 1.00 0.00 O ATOM 335 CB SER A 25 5.027 -9.111 1.796 1.00 0.00 C ATOM 336 OG SER A 25 5.521 -10.054 2.744 1.00 0.00 O ATOM 0 H SER A 25 4.593 -7.830 4.147 1.00 0.00 H new ATOM 0 HA SER A 25 6.321 -7.412 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.948 -9.227 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.460 -9.319 0.818 1.00 0.00 H new ATOM 0 HG SER A 25 5.885 -10.832 2.272 1.00 0.00 H new ATOM 342 N ILE A 26 4.513 -6.291 0.409 1.00 0.00 N ATOM 343 CA ILE A 26 3.591 -5.379 -0.246 1.00 0.00 C ATOM 344 C ILE A 26 3.206 -5.944 -1.614 1.00 0.00 C ATOM 345 O ILE A 26 3.825 -6.893 -2.095 1.00 0.00 O ATOM 346 CB ILE A 26 4.185 -3.970 -0.308 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.552 -3.981 -0.994 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.247 -3.339 1.085 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.685 -2.811 -1.971 1.00 0.00 C ATOM 0 H ILE A 26 5.317 -6.563 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 26 2.671 -5.288 0.332 1.00 0.00 H new ATOM 0 HB ILE A 26 3.526 -3.348 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.340 -3.924 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.688 -4.922 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.673 -2.338 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.241 -3.276 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.871 -3.953 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.666 -2.842 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.911 -2.885 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.573 -1.871 -1.430 1.00 0.00 H new ATOM 361 N ILE A 27 2.185 -5.339 -2.204 1.00 0.00 N ATOM 362 CA ILE A 27 1.710 -5.771 -3.507 1.00 0.00 C ATOM 363 C ILE A 27 1.225 -4.553 -4.297 1.00 0.00 C ATOM 364 O ILE A 27 0.640 -3.633 -3.728 1.00 0.00 O ATOM 365 CB ILE A 27 0.654 -6.867 -3.356 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.316 -6.861 -4.540 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.075 -6.745 -2.017 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.971 -8.231 -4.719 1.00 0.00 C ATOM 0 H ILE A 27 1.674 -4.553 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 27 2.522 -6.220 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 27 1.160 -7.832 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.085 -6.105 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.217 -6.587 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.820 -7.536 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.643 -6.837 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.568 -5.775 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.655 -8.199 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.202 -8.981 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.524 -8.491 -3.816 1.00 0.00 H new ATOM 380 N GLY A 28 1.486 -4.588 -5.595 1.00 0.00 N ATOM 381 CA GLY A 28 1.083 -3.499 -6.469 1.00 0.00 C ATOM 382 C GLY A 28 -0.259 -3.802 -7.140 1.00 0.00 C ATOM 383 O GLY A 28 -0.358 -4.724 -7.948 1.00 0.00 O ATOM 0 H GLY A 28 1.972 -5.353 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.006 -2.576 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.846 -3.338 -7.230 1.00 0.00 H new ATOM 387 N MET A 29 -1.257 -3.009 -6.780 1.00 0.00 N ATOM 388 CA MET A 29 -2.588 -3.181 -7.337 1.00 0.00 C ATOM 389 C MET A 29 -3.165 -1.842 -7.802 1.00 0.00 C ATOM 390 O MET A 29 -2.688 -0.783 -7.397 1.00 0.00 O ATOM 391 CB MET A 29 -3.508 -3.794 -6.280 1.00 0.00 C ATOM 392 CG MET A 29 -2.915 -5.089 -5.721 1.00 0.00 C ATOM 393 SD MET A 29 -3.757 -6.499 -6.422 1.00 0.00 S ATOM 394 CE MET A 29 -4.596 -7.112 -4.971 1.00 0.00 C ATOM 0 H MET A 29 -1.171 -2.245 -6.109 1.00 0.00 H new ATOM 0 HA MET A 29 -2.518 -3.844 -8.199 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.663 -3.081 -5.470 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.486 -3.997 -6.717 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.851 -5.140 -5.950 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.008 -5.102 -4.635 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.174 -7.999 -5.232 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.862 -7.369 -4.208 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.266 -6.343 -4.586 1.00 0.00 H new ATOM 404 N GLY A 30 -4.183 -1.934 -8.645 1.00 0.00 N ATOM 405 CA GLY A 30 -4.830 -0.743 -9.169 1.00 0.00 C ATOM 406 C GLY A 30 -6.215 -0.554 -8.549 1.00 0.00 C ATOM 407 O GLY A 30 -7.143 -1.303 -8.851 1.00 0.00 O ATOM 0 H GLY A 30 -4.576 -2.815 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.213 0.131 -8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.920 -0.821 -10.252 1.00 0.00 H new ATOM 411 N VAL A 31 -6.312 0.452 -7.692 1.00 0.00 N ATOM 412 CA VAL A 31 -7.569 0.750 -7.026 1.00 0.00 C ATOM 413 C VAL A 31 -8.360 1.756 -7.864 1.00 0.00 C ATOM 414 O VAL A 31 -7.787 2.693 -8.419 1.00 0.00 O ATOM 415 CB VAL A 31 -7.304 1.237 -5.600 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.462 0.870 -4.671 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.979 0.685 -5.070 1.00 0.00 C ATOM 0 H VAL A 31 -5.541 1.071 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.177 -0.150 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.228 2.324 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.248 1.228 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.380 1.333 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.585 -0.213 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.814 1.046 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.014 -0.404 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.163 1.020 -5.711 1.00 0.00 H new ATOM 492 N GLU A 38 -6.681 6.052 -12.432 1.00 0.00 N ATOM 493 CA GLU A 38 -6.300 4.900 -11.633 1.00 0.00 C ATOM 494 C GLU A 38 -5.295 5.312 -10.554 1.00 0.00 C ATOM 495 O GLU A 38 -4.402 6.118 -10.809 1.00 0.00 O ATOM 496 CB GLU A 38 -5.733 3.785 -12.513 1.00 0.00 C ATOM 497 CG GLU A 38 -4.427 4.223 -13.180 1.00 0.00 C ATOM 498 CD GLU A 38 -3.903 3.138 -14.123 1.00 0.00 C ATOM 499 OE1 GLU A 38 -3.545 2.059 -13.603 1.00 0.00 O ATOM 500 OE2 GLU A 38 -3.871 3.413 -15.342 1.00 0.00 O ATOM 0 HA GLU A 38 -7.192 4.511 -11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.556 2.895 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.462 3.513 -13.276 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.590 5.146 -13.737 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.679 4.439 -12.417 1.00 0.00 H new ATOM 507 N LYS A 39 -5.475 4.739 -9.373 1.00 0.00 N ATOM 508 CA LYS A 39 -4.595 5.036 -8.256 1.00 0.00 C ATOM 509 C LYS A 39 -4.062 3.727 -7.670 1.00 0.00 C ATOM 510 O LYS A 39 -4.732 3.086 -6.862 1.00 0.00 O ATOM 511 CB LYS A 39 -5.310 5.922 -7.232 1.00 0.00 C ATOM 512 CG LYS A 39 -5.269 7.391 -7.656 1.00 0.00 C ATOM 513 CD LYS A 39 -4.580 8.249 -6.593 1.00 0.00 C ATOM 514 CE LYS A 39 -5.247 9.622 -6.480 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.383 10.557 -5.724 1.00 0.00 N ATOM 0 H LYS A 39 -6.217 4.071 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.732 5.610 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.346 5.599 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.839 5.808 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.739 7.485 -8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.283 7.754 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.619 7.741 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.527 8.372 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.442 10.021 -7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.211 9.525 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.850 11.484 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.218 10.182 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.473 10.663 -6.216 1.00 0.00 H new ATOM 529 N LEU A 40 -2.861 3.370 -8.101 1.00 0.00 N ATOM 530 CA LEU A 40 -2.230 2.149 -7.629 1.00 0.00 C ATOM 531 C LEU A 40 -2.237 2.134 -6.099 1.00 0.00 C ATOM 532 O LEU A 40 -1.718 3.050 -5.463 1.00 0.00 O ATOM 533 CB LEU A 40 -0.835 1.997 -8.239 1.00 0.00 C ATOM 534 CG LEU A 40 -0.423 0.576 -8.627 1.00 0.00 C ATOM 535 CD1 LEU A 40 -1.296 0.045 -9.766 1.00 0.00 C ATOM 536 CD2 LEU A 40 1.067 0.510 -8.969 1.00 0.00 C ATOM 0 H LEU A 40 -2.308 3.904 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.794 1.277 -7.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.778 2.626 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.105 2.384 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.584 -0.073 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.983 -0.967 -10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.339 0.033 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.189 0.690 -10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.333 -0.511 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.278 1.175 -9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.653 0.819 -8.103 1.00 0.00 H new ATOM 548 N GLY A 41 -2.832 1.084 -5.553 1.00 0.00 N ATOM 549 CA GLY A 41 -2.914 0.938 -4.109 1.00 0.00 C ATOM 550 C GLY A 41 -1.928 -0.119 -3.608 1.00 0.00 C ATOM 551 O GLY A 41 -2.017 -1.286 -3.988 1.00 0.00 O ATOM 0 H GLY A 41 -3.262 0.326 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.702 1.894 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.928 0.658 -3.825 1.00 0.00 H new ATOM 555 N ILE A 42 -1.010 0.327 -2.763 1.00 0.00 N ATOM 556 CA ILE A 42 -0.008 -0.566 -2.206 1.00 0.00 C ATOM 557 C ILE A 42 -0.600 -1.302 -1.002 1.00 0.00 C ATOM 558 O ILE A 42 -0.830 -0.700 0.046 1.00 0.00 O ATOM 559 CB ILE A 42 1.276 0.203 -1.887 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.659 1.134 -3.040 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.412 -0.755 -1.523 1.00 0.00 C ATOM 562 CD1 ILE A 42 1.984 0.336 -4.304 1.00 0.00 C ATOM 0 H ILE A 42 -0.939 1.295 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 42 0.275 -1.325 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 42 1.091 0.830 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.840 1.824 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.521 1.737 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.313 -0.183 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.128 -1.340 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.605 -1.425 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.253 1.021 -5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.819 -0.336 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.112 -0.247 -4.601 1.00 0.00 H new ATOM 574 N PHE A 43 -0.829 -2.593 -1.193 1.00 0.00 N ATOM 575 CA PHE A 43 -1.389 -3.417 -0.135 1.00 0.00 C ATOM 576 C PHE A 43 -0.336 -4.372 0.431 1.00 0.00 C ATOM 577 O PHE A 43 0.703 -4.595 -0.188 1.00 0.00 O ATOM 578 CB PHE A 43 -2.521 -4.236 -0.759 1.00 0.00 C ATOM 579 CG PHE A 43 -3.659 -3.390 -1.332 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.709 -3.038 -0.543 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.621 -2.989 -2.631 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.765 -2.252 -1.074 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.678 -2.204 -3.163 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.727 -1.851 -2.374 1.00 0.00 C ATOM 0 H PHE A 43 -0.637 -3.088 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.744 -2.787 0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.110 -4.859 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.927 -4.909 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.740 -3.357 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.787 -3.268 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.598 -1.972 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.648 -1.887 -4.195 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.530 -1.253 -2.779 1.00 0.00 H new ATOM 594 N VAL A 44 -0.642 -4.910 1.603 1.00 0.00 N ATOM 595 CA VAL A 44 0.265 -5.836 2.260 1.00 0.00 C ATOM 596 C VAL A 44 -0.034 -7.260 1.786 1.00 0.00 C ATOM 597 O VAL A 44 -1.067 -7.830 2.135 1.00 0.00 O ATOM 598 CB VAL A 44 0.164 -5.678 3.779 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.721 -6.910 4.496 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.871 -4.405 4.246 1.00 0.00 C ATOM 0 H VAL A 44 -1.505 -4.722 2.114 1.00 0.00 H new ATOM 0 HA VAL A 44 1.298 -5.614 1.991 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.891 -5.588 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.638 -6.772 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.154 -7.792 4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.769 -7.045 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.784 -4.317 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.924 -4.451 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.409 -3.538 3.773 1.00 0.00 H new ATOM 610 N LYS A 45 0.887 -7.793 0.997 1.00 0.00 N ATOM 611 CA LYS A 45 0.735 -9.139 0.471 1.00 0.00 C ATOM 612 C LYS A 45 0.696 -10.134 1.633 1.00 0.00 C ATOM 613 O LYS A 45 -0.105 -11.067 1.628 1.00 0.00 O ATOM 614 CB LYS A 45 1.826 -9.438 -0.559 1.00 0.00 C ATOM 615 CG LYS A 45 1.792 -10.908 -0.981 1.00 0.00 C ATOM 616 CD LYS A 45 0.593 -11.191 -1.888 1.00 0.00 C ATOM 617 CE LYS A 45 0.825 -12.448 -2.728 1.00 0.00 C ATOM 618 NZ LYS A 45 1.205 -12.085 -4.111 1.00 0.00 N ATOM 0 H LYS A 45 1.742 -7.317 0.709 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.210 -9.235 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.690 -8.802 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.803 -9.199 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.715 -11.162 -1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.741 -11.543 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.305 -11.315 -1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.419 -10.338 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.610 -13.054 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.080 -13.056 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.359 -12.950 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.443 -11.525 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.081 -11.524 -4.095 1.00 0.00 H new ATOM 632 N THR A 46 1.571 -9.900 2.600 1.00 0.00 N ATOM 633 CA THR A 46 1.646 -10.764 3.766 1.00 0.00 C ATOM 634 C THR A 46 2.550 -10.143 4.832 1.00 0.00 C ATOM 635 O THR A 46 3.115 -9.071 4.625 1.00 0.00 O ATOM 636 CB THR A 46 2.114 -12.145 3.301 1.00 0.00 C ATOM 637 OG1 THR A 46 2.326 -12.865 4.512 1.00 0.00 O ATOM 638 CG2 THR A 46 3.495 -12.105 2.644 1.00 0.00 C ATOM 0 H THR A 46 2.234 -9.125 2.600 1.00 0.00 H new ATOM 0 HA THR A 46 0.670 -10.877 4.238 1.00 0.00 H new ATOM 0 HB THR A 46 1.390 -12.556 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.630 -13.773 4.304 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.779 -13.110 2.333 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.465 -11.450 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.227 -11.726 3.358 1.00 0.00 H new ATOM 646 N VAL A 47 2.660 -10.845 5.951 1.00 0.00 N ATOM 647 CA VAL A 47 3.486 -10.376 7.050 1.00 0.00 C ATOM 648 C VAL A 47 4.443 -11.492 7.475 1.00 0.00 C ATOM 649 O VAL A 47 4.014 -12.612 7.747 1.00 0.00 O ATOM 650 CB VAL A 47 2.600 -9.880 8.195 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.446 -9.455 9.398 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.694 -8.738 7.732 1.00 0.00 C ATOM 0 H VAL A 47 2.191 -11.735 6.120 1.00 0.00 H new ATOM 0 HA VAL A 47 4.094 -9.528 6.736 1.00 0.00 H new ATOM 0 HB VAL A 47 1.963 -10.707 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.792 -9.107 10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.030 -10.305 9.751 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.119 -8.650 9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.075 -8.404 8.565 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.306 -7.908 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.054 -9.087 6.921 1.00 0.00 H new ATOM 662 N THR A 48 5.721 -11.146 7.519 1.00 0.00 N ATOM 663 CA THR A 48 6.743 -12.104 7.907 1.00 0.00 C ATOM 664 C THR A 48 6.445 -12.669 9.297 1.00 0.00 C ATOM 665 O THR A 48 6.107 -11.922 10.215 1.00 0.00 O ATOM 666 CB THR A 48 8.103 -11.410 7.811 1.00 0.00 C ATOM 667 OG1 THR A 48 8.491 -11.593 6.453 1.00 0.00 O ATOM 668 CG2 THR A 48 9.187 -12.135 8.610 1.00 0.00 C ATOM 0 H THR A 48 6.072 -10.216 7.292 1.00 0.00 H new ATOM 0 HA THR A 48 6.753 -12.964 7.237 1.00 0.00 H new ATOM 0 HB THR A 48 8.013 -10.384 8.169 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.363 -11.172 6.302 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.132 -11.602 8.508 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.902 -12.170 9.661 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.301 -13.150 8.231 1.00 0.00 H new ATOM 676 N GLU A 49 6.580 -13.982 9.409 1.00 0.00 N ATOM 677 CA GLU A 49 6.330 -14.655 10.672 1.00 0.00 C ATOM 678 C GLU A 49 7.482 -14.402 11.646 1.00 0.00 C ATOM 679 O GLU A 49 8.525 -15.048 11.561 1.00 0.00 O ATOM 680 CB GLU A 49 6.110 -16.154 10.460 1.00 0.00 C ATOM 681 CG GLU A 49 5.351 -16.769 11.638 1.00 0.00 C ATOM 682 CD GLU A 49 5.008 -18.235 11.364 1.00 0.00 C ATOM 683 OE1 GLU A 49 4.587 -18.515 10.221 1.00 0.00 O ATOM 684 OE2 GLU A 49 5.176 -19.042 12.304 1.00 0.00 O ATOM 0 H GLU A 49 6.859 -14.598 8.646 1.00 0.00 H new ATOM 0 HA GLU A 49 5.418 -14.245 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.551 -16.316 9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.072 -16.653 10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.955 -16.696 12.542 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.436 -16.205 11.820 1.00 0.00 H new ATOM 691 N GLY A 50 7.255 -13.459 12.549 1.00 0.00 N ATOM 692 CA GLY A 50 8.261 -13.112 13.538 1.00 0.00 C ATOM 693 C GLY A 50 8.998 -11.831 13.145 1.00 0.00 C ATOM 694 O GLY A 50 10.216 -11.741 13.292 1.00 0.00 O ATOM 0 H GLY A 50 6.389 -12.925 12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.789 -12.980 14.511 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.974 -13.930 13.638 1.00 0.00 H new ATOM 698 N GLY A 51 8.229 -10.871 12.652 1.00 0.00 N ATOM 699 CA GLY A 51 8.794 -9.599 12.235 1.00 0.00 C ATOM 700 C GLY A 51 8.393 -8.480 13.199 1.00 0.00 C ATOM 701 O GLY A 51 7.935 -8.746 14.309 1.00 0.00 O ATOM 0 H GLY A 51 7.219 -10.949 12.532 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.880 -9.676 12.193 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.452 -9.357 11.229 1.00 0.00 H new ATOM 705 N ALA A 52 8.581 -7.252 12.739 1.00 0.00 N ATOM 706 CA ALA A 52 8.246 -6.091 13.547 1.00 0.00 C ATOM 707 C ALA A 52 6.743 -5.821 13.443 1.00 0.00 C ATOM 708 O ALA A 52 6.062 -5.684 14.458 1.00 0.00 O ATOM 709 CB ALA A 52 9.086 -4.895 13.096 1.00 0.00 C ATOM 0 H ALA A 52 8.961 -7.035 11.817 1.00 0.00 H new ATOM 0 HA ALA A 52 8.477 -6.273 14.596 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.835 -4.025 13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.144 -5.128 13.216 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.879 -4.679 12.048 1.00 0.00 H new ATOM 715 N ALA A 53 6.271 -5.751 12.207 1.00 0.00 N ATOM 716 CA ALA A 53 4.862 -5.499 11.957 1.00 0.00 C ATOM 717 C ALA A 53 4.031 -6.633 12.562 1.00 0.00 C ATOM 718 O ALA A 53 2.997 -6.387 13.181 1.00 0.00 O ATOM 719 CB ALA A 53 4.629 -5.345 10.453 1.00 0.00 C ATOM 0 H ALA A 53 6.839 -5.864 11.368 1.00 0.00 H new ATOM 0 HA ALA A 53 4.548 -4.569 12.432 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.572 -5.156 10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.219 -4.509 10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.930 -6.260 9.943 1.00 0.00 H new ATOM 725 N GLN A 54 4.514 -7.850 12.362 1.00 0.00 N ATOM 726 CA GLN A 54 3.829 -9.022 12.880 1.00 0.00 C ATOM 727 C GLN A 54 3.736 -8.951 14.406 1.00 0.00 C ATOM 728 O GLN A 54 2.640 -8.927 14.964 1.00 0.00 O ATOM 729 CB GLN A 54 4.526 -10.308 12.432 1.00 0.00 C ATOM 730 CG GLN A 54 3.527 -11.459 12.308 1.00 0.00 C ATOM 731 CD GLN A 54 3.430 -12.245 13.617 1.00 0.00 C ATOM 732 OE1 GLN A 54 2.784 -11.838 14.569 1.00 0.00 O ATOM 733 NE2 GLN A 54 4.105 -13.391 13.611 1.00 0.00 N ATOM 0 H GLN A 54 5.372 -8.050 11.848 1.00 0.00 H new ATOM 0 HA GLN A 54 2.818 -9.036 12.474 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.018 -10.144 11.473 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.304 -10.573 13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.546 -11.066 12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.833 -12.125 11.501 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.625 -13.672 12.780 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.102 -13.989 14.437 1.00 0.00 H new ATOM 742 N ARG A 55 4.900 -8.920 15.037 1.00 0.00 N ATOM 743 CA ARG A 55 4.964 -8.853 16.487 1.00 0.00 C ATOM 744 C ARG A 55 3.978 -7.808 17.014 1.00 0.00 C ATOM 745 O ARG A 55 3.184 -8.094 17.908 1.00 0.00 O ATOM 746 CB ARG A 55 6.375 -8.497 16.960 1.00 0.00 C ATOM 747 CG ARG A 55 7.229 -9.755 17.133 1.00 0.00 C ATOM 748 CD ARG A 55 8.609 -9.408 17.693 1.00 0.00 C ATOM 749 NE ARG A 55 9.464 -8.848 16.622 1.00 0.00 N ATOM 750 CZ ARG A 55 10.137 -9.589 15.732 1.00 0.00 C ATOM 751 NH1 ARG A 55 10.060 -10.926 15.780 1.00 0.00 N ATOM 752 NH2 ARG A 55 10.888 -8.995 14.795 1.00 0.00 N ATOM 0 H ARG A 55 5.807 -8.940 14.571 1.00 0.00 H new ATOM 0 HA ARG A 55 4.700 -9.836 16.877 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.847 -7.829 16.239 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.320 -7.957 17.906 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.725 -10.451 17.803 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.339 -10.259 16.173 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.510 -8.688 18.505 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.075 -10.300 18.113 1.00 0.00 H new ATOM 0 HE ARG A 55 9.546 -7.833 16.558 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.489 -11.379 16.494 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.572 -11.491 15.103 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.948 -7.977 14.759 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.400 -9.560 14.118 1.00 0.00 H new ATOM 766 N ASP A 56 4.062 -6.618 16.436 1.00 0.00 N ATOM 767 CA ASP A 56 3.187 -5.529 16.836 1.00 0.00 C ATOM 768 C ASP A 56 1.735 -6.011 16.809 1.00 0.00 C ATOM 769 O ASP A 56 1.005 -5.849 17.785 1.00 0.00 O ATOM 770 CB ASP A 56 3.310 -4.343 15.878 1.00 0.00 C ATOM 771 CG ASP A 56 2.872 -2.996 16.456 1.00 0.00 C ATOM 772 OD1 ASP A 56 1.681 -2.897 16.824 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.736 -2.096 16.516 1.00 0.00 O ATOM 0 H ASP A 56 4.722 -6.385 15.694 1.00 0.00 H new ATOM 0 HA ASP A 56 3.477 -5.214 17.838 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.348 -4.262 15.555 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.715 -4.550 14.989 1.00 0.00 H new ATOM 778 N GLY A 57 1.360 -6.593 15.679 1.00 0.00 N ATOM 779 CA GLY A 57 0.008 -7.099 15.511 1.00 0.00 C ATOM 780 C GLY A 57 -0.921 -6.011 14.969 1.00 0.00 C ATOM 781 O GLY A 57 -2.136 -6.197 14.916 1.00 0.00 O ATOM 0 H GLY A 57 1.969 -6.725 14.871 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.016 -7.949 14.828 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.370 -7.462 16.467 1.00 0.00 H new ATOM 785 N ARG A 58 -0.315 -4.899 14.579 1.00 0.00 N ATOM 786 CA ARG A 58 -1.072 -3.782 14.043 1.00 0.00 C ATOM 787 C ARG A 58 -1.302 -3.968 12.541 1.00 0.00 C ATOM 788 O ARG A 58 -2.435 -4.154 12.101 1.00 0.00 O ATOM 789 CB ARG A 58 -0.344 -2.457 14.280 1.00 0.00 C ATOM 790 CG ARG A 58 -1.002 -1.664 15.410 1.00 0.00 C ATOM 791 CD ARG A 58 -2.523 -1.629 15.242 1.00 0.00 C ATOM 792 NE ARG A 58 -2.875 -1.708 13.806 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.071 -2.101 13.347 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.037 -2.452 14.207 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.302 -2.141 12.028 1.00 0.00 N ATOM 0 H ARG A 58 0.693 -4.748 14.624 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.031 -3.754 14.561 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.700 -2.651 14.527 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.350 -1.866 13.364 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.749 -2.114 16.370 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.610 -0.647 15.421 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.976 -2.460 15.782 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.924 -0.712 15.673 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.163 -1.447 13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.862 -2.420 15.211 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.947 -2.751 13.857 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.567 -1.872 11.373 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.212 -2.440 11.679 1.00 0.00 H new ATOM 809 N ILE A 59 -0.207 -3.912 11.797 1.00 0.00 N ATOM 810 CA ILE A 59 -0.275 -4.072 10.354 1.00 0.00 C ATOM 811 C ILE A 59 -0.661 -5.515 10.023 1.00 0.00 C ATOM 812 O ILE A 59 0.049 -6.451 10.386 1.00 0.00 O ATOM 813 CB ILE A 59 1.034 -3.622 9.703 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.130 -2.095 9.664 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.198 -4.242 8.314 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.590 -1.638 9.617 1.00 0.00 C ATOM 0 H ILE A 59 0.731 -3.758 12.166 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.050 -3.430 9.936 1.00 0.00 H new ATOM 0 HB ILE A 59 1.861 -3.982 10.315 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.598 -1.716 8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.642 -1.674 10.543 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.137 -3.905 7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.206 -5.329 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.368 -3.934 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.630 -0.549 9.590 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.113 -1.998 10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.069 -2.041 8.724 1.00 0.00 H new ATOM 828 N GLN A 60 -1.787 -5.650 9.337 1.00 0.00 N ATOM 829 CA GLN A 60 -2.277 -6.963 8.953 1.00 0.00 C ATOM 830 C GLN A 60 -2.074 -7.187 7.453 1.00 0.00 C ATOM 831 O GLN A 60 -1.644 -6.283 6.739 1.00 0.00 O ATOM 832 CB GLN A 60 -3.747 -7.135 9.340 1.00 0.00 C ATOM 833 CG GLN A 60 -4.088 -6.307 10.580 1.00 0.00 C ATOM 834 CD GLN A 60 -3.470 -6.923 11.837 1.00 0.00 C ATOM 835 OE1 GLN A 60 -2.885 -7.994 11.812 1.00 0.00 O ATOM 836 NE2 GLN A 60 -3.630 -6.189 12.935 1.00 0.00 N ATOM 0 H GLN A 60 -2.374 -4.871 9.037 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.704 -7.716 9.494 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.383 -6.831 8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.955 -8.187 9.533 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.723 -5.288 10.453 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.170 -6.246 10.695 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.130 -5.301 12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.252 -6.514 13.825 1.00 0.00 H new ATOM 845 N VAL A 61 -2.393 -8.398 7.020 1.00 0.00 N ATOM 846 CA VAL A 61 -2.252 -8.753 5.618 1.00 0.00 C ATOM 847 C VAL A 61 -3.434 -8.184 4.831 1.00 0.00 C ATOM 848 O VAL A 61 -4.537 -8.064 5.361 1.00 0.00 O ATOM 849 CB VAL A 61 -2.112 -10.269 5.473 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.217 -10.692 4.007 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.802 -10.761 6.093 1.00 0.00 C ATOM 0 H VAL A 61 -2.749 -9.146 7.616 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.344 -8.315 5.203 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.935 -10.734 6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.114 -11.775 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.187 -10.391 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.425 -10.212 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.728 -11.842 5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.040 -10.283 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.784 -10.509 7.153 1.00 0.00 H new ATOM 861 N ASN A 62 -3.163 -7.848 3.578 1.00 0.00 N ATOM 862 CA ASN A 62 -4.190 -7.294 2.712 1.00 0.00 C ATOM 863 C ASN A 62 -4.419 -5.825 3.074 1.00 0.00 C ATOM 864 O ASN A 62 -5.261 -5.159 2.475 1.00 0.00 O ATOM 865 CB ASN A 62 -5.517 -8.036 2.888 1.00 0.00 C ATOM 866 CG ASN A 62 -5.295 -9.549 2.949 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.031 -10.204 1.954 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.416 -10.065 4.169 1.00 0.00 N ATOM 0 H ASN A 62 -2.247 -7.949 3.142 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.853 -7.396 1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.008 -7.700 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.185 -7.796 2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.286 -11.066 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.639 -9.460 4.959 1.00 0.00 H new ATOM 875 N ASP A 63 -3.654 -5.364 4.053 1.00 0.00 N ATOM 876 CA ASP A 63 -3.762 -3.986 4.502 1.00 0.00 C ATOM 877 C ASP A 63 -3.359 -3.050 3.361 1.00 0.00 C ATOM 878 O ASP A 63 -2.878 -3.501 2.323 1.00 0.00 O ATOM 879 CB ASP A 63 -2.831 -3.718 5.686 1.00 0.00 C ATOM 880 CG ASP A 63 -3.364 -4.177 7.044 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.320 -4.982 7.036 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.803 -3.713 8.060 1.00 0.00 O ATOM 0 H ASP A 63 -2.957 -5.920 4.548 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.793 -3.810 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.879 -4.214 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.629 -2.648 5.735 1.00 0.00 H new ATOM 887 N GLN A 64 -3.569 -1.762 3.593 1.00 0.00 N ATOM 888 CA GLN A 64 -3.234 -0.758 2.598 1.00 0.00 C ATOM 889 C GLN A 64 -2.389 0.351 3.227 1.00 0.00 C ATOM 890 O GLN A 64 -2.855 1.063 4.116 1.00 0.00 O ATOM 891 CB GLN A 64 -4.495 -0.186 1.949 1.00 0.00 C ATOM 892 CG GLN A 64 -4.140 0.778 0.815 1.00 0.00 C ATOM 893 CD GLN A 64 -5.306 1.722 0.512 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.403 1.579 1.026 1.00 0.00 O ATOM 895 NE2 GLN A 64 -5.008 2.691 -0.349 1.00 0.00 N ATOM 0 H GLN A 64 -3.967 -1.391 4.456 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.647 -1.235 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.109 -0.999 1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.091 0.334 2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.259 1.359 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.883 0.213 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.069 2.753 -0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.719 3.372 -0.616 1.00 0.00 H new ATOM 904 N ILE A 65 -1.162 0.465 2.742 1.00 0.00 N ATOM 905 CA ILE A 65 -0.248 1.476 3.246 1.00 0.00 C ATOM 906 C ILE A 65 -0.513 2.801 2.527 1.00 0.00 C ATOM 907 O ILE A 65 0.063 3.065 1.473 1.00 0.00 O ATOM 908 CB ILE A 65 1.200 0.994 3.133 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.395 -0.333 3.869 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.175 2.068 3.619 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.657 -1.048 3.384 1.00 0.00 C ATOM 0 H ILE A 65 -0.779 -0.126 2.005 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.420 1.649 4.308 1.00 0.00 H new ATOM 0 HB ILE A 65 1.419 0.813 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.465 -0.151 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.527 -0.972 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.197 1.700 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.058 2.967 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.966 2.304 4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.772 -1.988 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.573 -1.250 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.526 -0.416 3.567 1.00 0.00 H new ATOM 923 N VAL A 66 -1.386 3.598 3.126 1.00 0.00 N ATOM 924 CA VAL A 66 -1.734 4.888 2.556 1.00 0.00 C ATOM 925 C VAL A 66 -0.514 5.810 2.608 1.00 0.00 C ATOM 926 O VAL A 66 -0.202 6.488 1.631 1.00 0.00 O ATOM 927 CB VAL A 66 -2.952 5.467 3.279 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.342 6.826 2.693 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.130 4.492 3.235 1.00 0.00 C ATOM 0 H VAL A 66 -1.862 3.375 4.000 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.015 4.780 1.508 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.681 5.618 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.210 7.216 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.509 7.521 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.585 6.711 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.983 4.928 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.401 4.295 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.847 3.558 3.720 1.00 0.00 H new ATOM 939 N GLU A 67 0.143 5.805 3.759 1.00 0.00 N ATOM 940 CA GLU A 67 1.322 6.632 3.951 1.00 0.00 C ATOM 941 C GLU A 67 2.375 5.876 4.763 1.00 0.00 C ATOM 942 O GLU A 67 2.051 4.925 5.473 1.00 0.00 O ATOM 943 CB GLU A 67 0.958 7.957 4.624 1.00 0.00 C ATOM 944 CG GLU A 67 2.077 8.423 5.558 1.00 0.00 C ATOM 945 CD GLU A 67 1.699 9.731 6.256 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.407 10.701 5.525 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.711 9.731 7.506 1.00 0.00 O ATOM 0 H GLU A 67 -0.119 5.241 4.568 1.00 0.00 H new ATOM 0 HA GLU A 67 1.743 6.862 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.774 8.716 3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.033 7.840 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.277 7.653 6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.996 8.563 4.989 1.00 0.00 H new ATOM 954 N VAL A 68 3.614 6.326 4.632 1.00 0.00 N ATOM 955 CA VAL A 68 4.716 5.703 5.345 1.00 0.00 C ATOM 956 C VAL A 68 5.702 6.784 5.795 1.00 0.00 C ATOM 957 O VAL A 68 6.270 7.495 4.967 1.00 0.00 O ATOM 958 CB VAL A 68 5.365 4.629 4.469 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.880 4.827 4.391 1.00 0.00 C ATOM 960 CG2 VAL A 68 5.020 3.227 4.976 1.00 0.00 C ATOM 0 H VAL A 68 3.879 7.115 4.042 1.00 0.00 H new ATOM 0 HA VAL A 68 4.355 5.198 6.241 1.00 0.00 H new ATOM 0 HB VAL A 68 4.962 4.729 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.317 4.051 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.097 5.805 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.307 4.766 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.493 2.482 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.382 3.110 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.939 3.089 4.956 1.00 0.00 H new ATOM 970 N ASP A 69 5.875 6.873 7.105 1.00 0.00 N ATOM 971 CA ASP A 69 6.782 7.854 7.675 1.00 0.00 C ATOM 972 C ASP A 69 6.415 9.245 7.153 1.00 0.00 C ATOM 973 O ASP A 69 7.232 10.164 7.197 1.00 0.00 O ATOM 974 CB ASP A 69 8.230 7.565 7.274 1.00 0.00 C ATOM 975 CG ASP A 69 8.632 8.080 5.891 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.921 9.292 5.798 1.00 0.00 O ATOM 977 OD2 ASP A 69 8.642 7.249 4.957 1.00 0.00 O ATOM 0 H ASP A 69 5.402 6.282 7.788 1.00 0.00 H new ATOM 0 HA ASP A 69 6.692 7.805 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.893 8.009 8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.392 6.488 7.305 1.00 0.00 H new ATOM 982 N GLY A 70 5.187 9.356 6.670 1.00 0.00 N ATOM 983 CA GLY A 70 4.702 10.619 6.140 1.00 0.00 C ATOM 984 C GLY A 70 4.558 10.556 4.618 1.00 0.00 C ATOM 985 O GLY A 70 3.746 11.274 4.037 1.00 0.00 O ATOM 0 H GLY A 70 4.513 8.592 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.739 10.861 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.390 11.419 6.411 1.00 0.00 H new ATOM 989 N ILE A 71 5.360 9.690 4.016 1.00 0.00 N ATOM 990 CA ILE A 71 5.332 9.524 2.572 1.00 0.00 C ATOM 991 C ILE A 71 3.989 8.919 2.159 1.00 0.00 C ATOM 992 O ILE A 71 3.403 8.133 2.901 1.00 0.00 O ATOM 993 CB ILE A 71 6.542 8.713 2.103 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.850 9.411 2.481 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.460 8.423 0.603 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.045 8.473 2.299 1.00 0.00 C ATOM 0 H ILE A 71 6.033 9.096 4.501 1.00 0.00 H new ATOM 0 HA ILE A 71 5.413 10.491 2.075 1.00 0.00 H new ATOM 0 HB ILE A 71 6.529 7.752 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.984 10.300 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.801 9.747 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.332 7.846 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.555 7.854 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.435 9.363 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.962 8.994 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.920 7.597 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.105 8.159 1.257 1.00 0.00 H new ATOM 1008 N SER A 72 3.540 9.309 0.974 1.00 0.00 N ATOM 1009 CA SER A 72 2.277 8.816 0.453 1.00 0.00 C ATOM 1010 C SER A 72 2.530 7.696 -0.558 1.00 0.00 C ATOM 1011 O SER A 72 3.263 7.884 -1.528 1.00 0.00 O ATOM 1012 CB SER A 72 1.471 9.943 -0.194 1.00 0.00 C ATOM 1013 OG SER A 72 0.458 9.444 -1.064 1.00 0.00 O ATOM 0 H SER A 72 4.029 9.961 0.360 1.00 0.00 H new ATOM 0 HA SER A 72 1.694 8.421 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.012 10.553 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.142 10.593 -0.755 1.00 0.00 H new ATOM 0 HG SER A 72 -0.035 10.195 -1.456 1.00 0.00 H new ATOM 1019 N LEU A 73 1.910 6.555 -0.296 1.00 0.00 N ATOM 1020 CA LEU A 73 2.059 5.404 -1.172 1.00 0.00 C ATOM 1021 C LEU A 73 0.765 5.200 -1.962 1.00 0.00 C ATOM 1022 O LEU A 73 0.361 4.066 -2.216 1.00 0.00 O ATOM 1023 CB LEU A 73 2.491 4.174 -0.371 1.00 0.00 C ATOM 1024 CG LEU A 73 3.788 4.316 0.428 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.101 3.032 1.198 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.947 4.736 -0.479 1.00 0.00 C ATOM 0 H LEU A 73 1.304 6.402 0.510 1.00 0.00 H new ATOM 0 HA LEU A 73 2.853 5.578 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.689 3.914 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.602 3.337 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 73 3.651 5.108 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.028 3.160 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.287 2.815 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.212 2.205 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.857 4.830 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.094 3.983 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.716 5.694 -0.944 1.00 0.00 H new ATOM 1038 N VAL A 74 0.151 6.315 -2.330 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.089 6.272 -3.086 1.00 0.00 C ATOM 1040 C VAL A 74 -0.817 6.709 -4.527 1.00 0.00 C ATOM 1041 O VAL A 74 -0.040 7.632 -4.764 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.154 7.125 -2.394 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.446 7.160 -3.213 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.419 6.624 -0.973 1.00 0.00 C ATOM 0 H VAL A 74 0.489 7.254 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.480 5.255 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.774 8.144 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.186 7.773 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.242 7.585 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.831 6.147 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.180 7.247 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.768 5.592 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.498 6.675 -0.392 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.472 6.023 -5.453 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.311 6.329 -6.864 1.00 0.00 C ATOM 1056 C GLY A 75 0.167 6.328 -7.260 1.00 0.00 C ATOM 1057 O GLY A 75 0.617 7.205 -7.996 1.00 0.00 O ATOM 0 H GLY A 75 -2.115 5.257 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.852 5.596 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.749 7.303 -7.081 1.00 0.00 H new ATOM 1061 N VAL A 76 0.881 5.333 -6.754 1.00 0.00 N ATOM 1062 CA VAL A 76 2.299 5.207 -7.046 1.00 0.00 C ATOM 1063 C VAL A 76 2.606 3.763 -7.449 1.00 0.00 C ATOM 1064 O VAL A 76 1.959 2.831 -6.973 1.00 0.00 O ATOM 1065 CB VAL A 76 3.124 5.681 -5.847 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.703 7.086 -5.413 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.019 4.693 -4.684 1.00 0.00 C ATOM 0 H VAL A 76 0.504 4.607 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 76 2.574 5.845 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 76 4.169 5.725 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.305 7.399 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.854 7.782 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.650 7.080 -5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.614 5.054 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.977 4.602 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.391 3.718 -5.000 1.00 0.00 H new ATOM 1077 N THR A 77 3.593 3.623 -8.322 1.00 0.00 N ATOM 1078 CA THR A 77 3.993 2.309 -8.795 1.00 0.00 C ATOM 1079 C THR A 77 4.649 1.513 -7.665 1.00 0.00 C ATOM 1080 O THR A 77 5.375 2.074 -6.846 1.00 0.00 O ATOM 1081 CB THR A 77 4.901 2.500 -10.011 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.329 1.180 -10.336 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.197 3.236 -9.664 1.00 0.00 C ATOM 0 H THR A 77 4.127 4.398 -8.714 1.00 0.00 H new ATOM 0 HA THR A 77 3.130 1.721 -9.106 1.00 0.00 H new ATOM 0 HB THR A 77 4.364 3.053 -10.781 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.922 1.211 -11.116 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.805 3.345 -10.562 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.960 4.222 -9.264 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.751 2.666 -8.918 1.00 0.00 H new ATOM 1091 N GLN A 78 4.371 0.217 -7.657 1.00 0.00 N ATOM 1092 CA GLN A 78 4.925 -0.661 -6.642 1.00 0.00 C ATOM 1093 C GLN A 78 6.371 -0.268 -6.332 1.00 0.00 C ATOM 1094 O GLN A 78 6.758 -0.180 -5.167 1.00 0.00 O ATOM 1095 CB GLN A 78 4.836 -2.126 -7.076 1.00 0.00 C ATOM 1096 CG GLN A 78 5.026 -3.064 -5.882 1.00 0.00 C ATOM 1097 CD GLN A 78 5.544 -4.430 -6.335 1.00 0.00 C ATOM 1098 OE1 GLN A 78 4.940 -5.115 -7.144 1.00 0.00 O ATOM 1099 NE2 GLN A 78 6.695 -4.786 -5.771 1.00 0.00 N ATOM 0 H GLN A 78 3.769 -0.245 -8.338 1.00 0.00 H new ATOM 0 HA GLN A 78 4.336 -0.549 -5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.868 -2.313 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.596 -2.333 -7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.728 -2.621 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.079 -3.186 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.148 -4.165 -5.101 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.124 -5.680 -6.009 1.00 0.00 H new ATOM 1108 N ASN A 79 7.130 -0.044 -7.394 1.00 0.00 N ATOM 1109 CA ASN A 79 8.525 0.338 -7.250 1.00 0.00 C ATOM 1110 C ASN A 79 8.648 1.401 -6.157 1.00 0.00 C ATOM 1111 O ASN A 79 9.308 1.181 -5.143 1.00 0.00 O ATOM 1112 CB ASN A 79 9.071 0.931 -8.550 1.00 0.00 C ATOM 1113 CG ASN A 79 9.063 -0.109 -9.673 1.00 0.00 C ATOM 1114 OD1 ASN A 79 9.343 -1.279 -9.472 1.00 0.00 O ATOM 1115 ND2 ASN A 79 8.727 0.382 -10.862 1.00 0.00 N ATOM 0 H ASN A 79 6.806 -0.120 -8.358 1.00 0.00 H new ATOM 0 HA ASN A 79 9.094 -0.556 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.469 1.792 -8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.087 1.292 -8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.692 -0.232 -11.676 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.504 1.372 -10.960 1.00 0.00 H new ATOM 1122 N PHE A 80 8.002 2.532 -6.401 1.00 0.00 N ATOM 1123 CA PHE A 80 8.031 3.630 -5.450 1.00 0.00 C ATOM 1124 C PHE A 80 7.875 3.119 -4.016 1.00 0.00 C ATOM 1125 O PHE A 80 8.742 3.346 -3.174 1.00 0.00 O ATOM 1126 CB PHE A 80 6.849 4.543 -5.784 1.00 0.00 C ATOM 1127 CG PHE A 80 6.673 5.713 -4.815 1.00 0.00 C ATOM 1128 CD1 PHE A 80 7.373 6.864 -5.004 1.00 0.00 C ATOM 1129 CD2 PHE A 80 5.816 5.603 -3.765 1.00 0.00 C ATOM 1130 CE1 PHE A 80 7.210 7.950 -4.104 1.00 0.00 C ATOM 1131 CE2 PHE A 80 5.652 6.690 -2.865 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.353 7.840 -3.054 1.00 0.00 C ATOM 0 H PHE A 80 7.456 2.711 -7.243 1.00 0.00 H new ATOM 0 HA PHE A 80 8.984 4.155 -5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.981 4.936 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.935 3.949 -5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.053 6.952 -5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.260 4.689 -3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.767 8.863 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.971 6.603 -2.031 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.229 8.666 -2.370 1.00 0.00 H new ATOM 1142 N ALA A 81 6.763 2.437 -3.783 1.00 0.00 N ATOM 1143 CA ALA A 81 6.482 1.891 -2.466 1.00 0.00 C ATOM 1144 C ALA A 81 7.697 1.100 -1.977 1.00 0.00 C ATOM 1145 O ALA A 81 8.069 1.188 -0.808 1.00 0.00 O ATOM 1146 CB ALA A 81 5.215 1.036 -2.527 1.00 0.00 C ATOM 0 H ALA A 81 6.046 2.250 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 81 6.300 2.692 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.004 0.627 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.376 1.652 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.361 0.220 -3.235 1.00 0.00 H new ATOM 1152 N ALA A 82 8.280 0.345 -2.896 1.00 0.00 N ATOM 1153 CA ALA A 82 9.445 -0.461 -2.573 1.00 0.00 C ATOM 1154 C ALA A 82 10.587 0.456 -2.128 1.00 0.00 C ATOM 1155 O ALA A 82 11.319 0.132 -1.194 1.00 0.00 O ATOM 1156 CB ALA A 82 9.824 -1.318 -3.782 1.00 0.00 C ATOM 0 H ALA A 82 7.967 0.274 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 82 9.226 -1.139 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.698 -1.923 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.991 -1.972 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.054 -0.671 -4.629 1.00 0.00 H new ATOM 1162 N THR A 83 10.703 1.581 -2.817 1.00 0.00 N ATOM 1163 CA THR A 83 11.743 2.547 -2.504 1.00 0.00 C ATOM 1164 C THR A 83 11.476 3.195 -1.144 1.00 0.00 C ATOM 1165 O THR A 83 12.350 3.213 -0.279 1.00 0.00 O ATOM 1166 CB THR A 83 11.815 3.553 -3.654 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.344 2.800 -4.742 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.860 4.644 -3.412 1.00 0.00 C ATOM 0 H THR A 83 10.094 1.846 -3.591 1.00 0.00 H new ATOM 0 HA THR A 83 12.717 2.066 -2.414 1.00 0.00 H new ATOM 0 HB THR A 83 10.837 4.012 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.422 3.376 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.871 5.332 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.611 5.191 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.844 4.188 -3.303 1.00 0.00 H new ATOM 1176 N VAL A 84 10.265 3.712 -0.998 1.00 0.00 N ATOM 1177 CA VAL A 84 9.872 4.360 0.242 1.00 0.00 C ATOM 1178 C VAL A 84 10.147 3.417 1.415 1.00 0.00 C ATOM 1179 O VAL A 84 10.843 3.783 2.361 1.00 0.00 O ATOM 1180 CB VAL A 84 8.410 4.803 0.161 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.934 5.369 1.500 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.207 5.817 -0.967 1.00 0.00 C ATOM 0 H VAL A 84 9.543 3.695 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 84 10.462 5.262 0.405 1.00 0.00 H new ATOM 0 HB VAL A 84 7.805 3.925 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.892 5.676 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.025 4.604 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.546 6.230 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.159 6.116 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.828 6.694 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.488 5.365 -1.918 1.00 0.00 H new ATOM 1192 N LEU A 85 9.586 2.221 1.314 1.00 0.00 N ATOM 1193 CA LEU A 85 9.761 1.222 2.355 1.00 0.00 C ATOM 1194 C LEU A 85 11.256 1.000 2.596 1.00 0.00 C ATOM 1195 O LEU A 85 11.661 0.613 3.691 1.00 0.00 O ATOM 1196 CB LEU A 85 8.998 -0.057 2.005 1.00 0.00 C ATOM 1197 CG LEU A 85 7.472 0.055 1.995 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.838 -1.153 1.302 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.927 0.255 3.411 1.00 0.00 C ATOM 0 H LEU A 85 9.010 1.921 0.527 1.00 0.00 H new ATOM 0 HA LEU A 85 9.334 1.572 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.324 -0.394 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.281 -0.832 2.717 1.00 0.00 H new ATOM 0 HG LEU A 85 7.198 0.938 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.753 -1.048 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.191 -1.208 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.118 -2.064 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.840 0.332 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.211 -0.594 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.341 1.170 3.834 1.00 0.00 H new ATOM 1211 N ARG A 86 12.034 1.253 1.554 1.00 0.00 N ATOM 1212 CA ARG A 86 13.475 1.085 1.638 1.00 0.00 C ATOM 1213 C ARG A 86 14.124 2.348 2.206 1.00 0.00 C ATOM 1214 O ARG A 86 15.239 2.299 2.723 1.00 0.00 O ATOM 1215 CB ARG A 86 14.076 0.784 0.263 1.00 0.00 C ATOM 1216 CG ARG A 86 13.864 -0.682 -0.119 1.00 0.00 C ATOM 1217 CD ARG A 86 13.685 -0.834 -1.631 1.00 0.00 C ATOM 1218 NE ARG A 86 14.894 -1.447 -2.225 1.00 0.00 N ATOM 1219 CZ ARG A 86 15.353 -2.664 -1.905 1.00 0.00 C ATOM 1220 NH1 ARG A 86 14.708 -3.406 -0.994 1.00 0.00 N ATOM 1221 NH2 ARG A 86 16.458 -3.140 -2.495 1.00 0.00 N ATOM 0 H ARG A 86 11.694 1.573 0.647 1.00 0.00 H new ATOM 0 HA ARG A 86 13.673 0.242 2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.618 1.429 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.142 1.011 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.717 -1.275 0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.986 -1.072 0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.813 -1.453 -1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.502 0.141 -2.084 1.00 0.00 H new ATOM 0 HE ARG A 86 15.410 -0.909 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.867 -3.044 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.058 -4.333 -0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 86 16.950 -2.576 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 86 16.807 -4.067 -2.251 1.00 0.00 H new ATOM 1235 N ASN A 87 13.399 3.451 2.090 1.00 0.00 N ATOM 1236 CA ASN A 87 13.891 4.726 2.585 1.00 0.00 C ATOM 1237 C ASN A 87 13.741 4.769 4.107 1.00 0.00 C ATOM 1238 O ASN A 87 14.637 5.235 4.809 1.00 0.00 O ATOM 1239 CB ASN A 87 13.090 5.890 1.998 1.00 0.00 C ATOM 1240 CG ASN A 87 13.910 6.646 0.950 1.00 0.00 C ATOM 1241 OD1 ASN A 87 14.659 7.560 1.251 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.725 6.214 -0.294 1.00 0.00 N ATOM 0 H ASN A 87 12.475 3.488 1.660 1.00 0.00 H new ATOM 0 HA ASN A 87 14.936 4.822 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.173 5.513 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 87 12.795 6.572 2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.226 6.653 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.082 5.443 -0.476 1.00 0.00 H new ATOM 1249 N THR A 88 12.602 4.276 4.572 1.00 0.00 N ATOM 1250 CA THR A 88 12.324 4.252 5.998 1.00 0.00 C ATOM 1251 C THR A 88 13.567 3.818 6.777 1.00 0.00 C ATOM 1252 O THR A 88 14.508 3.275 6.199 1.00 0.00 O ATOM 1253 CB THR A 88 11.114 3.344 6.228 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.563 2.056 5.816 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.957 3.657 5.277 1.00 0.00 C ATOM 0 H THR A 88 11.861 3.890 3.986 1.00 0.00 H new ATOM 0 HA THR A 88 12.078 5.247 6.370 1.00 0.00 H new ATOM 0 HB THR A 88 10.774 3.447 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.295 1.898 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.125 2.984 5.483 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.635 4.688 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.286 3.522 4.247 1.00 0.00 H new ATOM 1263 N LYS A 89 13.531 4.073 8.076 1.00 0.00 N ATOM 1264 CA LYS A 89 14.643 3.715 8.940 1.00 0.00 C ATOM 1265 C LYS A 89 14.101 3.118 10.241 1.00 0.00 C ATOM 1266 O LYS A 89 12.915 2.805 10.338 1.00 0.00 O ATOM 1267 CB LYS A 89 15.564 4.917 9.153 1.00 0.00 C ATOM 1268 CG LYS A 89 16.151 5.401 7.825 1.00 0.00 C ATOM 1269 CD LYS A 89 17.382 4.579 7.438 1.00 0.00 C ATOM 1270 CE LYS A 89 17.757 4.812 5.973 1.00 0.00 C ATOM 1271 NZ LYS A 89 18.814 3.865 5.552 1.00 0.00 N ATOM 0 H LYS A 89 12.749 4.523 8.552 1.00 0.00 H new ATOM 0 HA LYS A 89 15.260 2.949 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.008 5.727 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.371 4.645 9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.397 5.325 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.423 6.454 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.221 4.849 8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.183 3.520 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.877 4.688 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.104 5.837 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.057 4.037 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.659 4.003 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.470 2.890 5.662 1.00 0.00 H new ATOM 1285 N GLY A 90 14.996 2.977 11.208 1.00 0.00 N ATOM 1286 CA GLY A 90 14.622 2.422 12.498 1.00 0.00 C ATOM 1287 C GLY A 90 13.103 2.433 12.680 1.00 0.00 C ATOM 1288 O GLY A 90 12.433 1.443 12.392 1.00 0.00 O ATOM 0 H GLY A 90 15.979 3.237 11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.994 1.401 12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.092 2.998 13.296 1.00 0.00 H new ATOM 1292 N ASN A 91 12.605 3.564 13.158 1.00 0.00 N ATOM 1293 CA ASN A 91 11.177 3.717 13.382 1.00 0.00 C ATOM 1294 C ASN A 91 10.504 4.151 12.079 1.00 0.00 C ATOM 1295 O ASN A 91 11.048 4.967 11.337 1.00 0.00 O ATOM 1296 CB ASN A 91 10.897 4.788 14.438 1.00 0.00 C ATOM 1297 CG ASN A 91 10.129 4.202 15.624 1.00 0.00 C ATOM 1298 OD1 ASN A 91 10.428 4.458 16.779 1.00 0.00 O ATOM 1299 ND2 ASN A 91 9.125 3.403 15.276 1.00 0.00 N ATOM 0 H ASN A 91 13.164 4.383 13.396 1.00 0.00 H new ATOM 0 HA ASN A 91 10.785 2.760 13.726 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.837 5.216 14.785 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.322 5.600 13.994 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.551 2.962 15.995 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.928 3.231 14.290 1.00 0.00 H new ATOM 1306 N VAL A 92 9.330 3.584 11.839 1.00 0.00 N ATOM 1307 CA VAL A 92 8.577 3.902 10.638 1.00 0.00 C ATOM 1308 C VAL A 92 7.096 4.047 10.993 1.00 0.00 C ATOM 1309 O VAL A 92 6.554 3.242 11.749 1.00 0.00 O ATOM 1310 CB VAL A 92 8.834 2.843 9.564 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.219 3.259 8.226 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.330 2.563 9.417 1.00 0.00 C ATOM 0 H VAL A 92 8.882 2.906 12.456 1.00 0.00 H new ATOM 0 HA VAL A 92 8.906 4.854 10.222 1.00 0.00 H new ATOM 0 HB VAL A 92 8.351 1.919 9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.416 2.489 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.143 3.384 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.660 4.201 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.485 1.807 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.846 3.480 9.133 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.728 2.202 10.366 1.00 0.00 H new ATOM 1322 N ARG A 93 6.484 5.080 10.432 1.00 0.00 N ATOM 1323 CA ARG A 93 5.076 5.340 10.680 1.00 0.00 C ATOM 1324 C ARG A 93 4.237 4.918 9.472 1.00 0.00 C ATOM 1325 O ARG A 93 4.288 5.557 8.422 1.00 0.00 O ATOM 1326 CB ARG A 93 4.833 6.823 10.968 1.00 0.00 C ATOM 1327 CG ARG A 93 4.031 7.007 12.258 1.00 0.00 C ATOM 1328 CD ARG A 93 3.424 8.409 12.331 1.00 0.00 C ATOM 1329 NE ARG A 93 4.153 9.226 13.327 1.00 0.00 N ATOM 1330 CZ ARG A 93 3.790 10.462 13.695 1.00 0.00 C ATOM 1331 NH1 ARG A 93 2.706 11.032 13.152 1.00 0.00 N ATOM 1332 NH2 ARG A 93 4.511 11.128 14.607 1.00 0.00 N ATOM 0 H ARG A 93 6.937 5.746 9.807 1.00 0.00 H new ATOM 0 HA ARG A 93 4.780 4.758 11.553 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.788 7.342 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.296 7.276 10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.238 6.261 12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.678 6.842 13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.472 8.886 11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.370 8.344 12.603 1.00 0.00 H new ATOM 0 HE ARG A 93 4.984 8.823 13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.157 10.525 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.430 11.973 13.433 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.336 10.694 15.021 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.235 12.069 14.887 1.00 0.00 H new ATOM 1346 N PHE A 94 3.485 3.844 9.661 1.00 0.00 N ATOM 1347 CA PHE A 94 2.636 3.329 8.600 1.00 0.00 C ATOM 1348 C PHE A 94 1.168 3.677 8.854 1.00 0.00 C ATOM 1349 O PHE A 94 0.615 3.329 9.896 1.00 0.00 O ATOM 1350 CB PHE A 94 2.794 1.807 8.600 1.00 0.00 C ATOM 1351 CG PHE A 94 4.211 1.328 8.278 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.613 1.217 6.984 1.00 0.00 C ATOM 1353 CD2 PHE A 94 5.068 1.014 9.286 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.928 0.773 6.685 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.383 0.569 8.987 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.786 0.458 7.693 1.00 0.00 C ATOM 0 H PHE A 94 3.446 3.316 10.533 1.00 0.00 H new ATOM 0 HA PHE A 94 2.926 3.769 7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.505 1.422 9.578 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.103 1.380 7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.932 1.467 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.749 1.103 10.314 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.247 0.685 5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.063 0.319 9.788 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.786 0.120 7.466 1.00 0.00 H new ATOM 1366 N VAL A 95 0.579 4.361 7.884 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.814 4.761 7.990 1.00 0.00 C ATOM 1368 C VAL A 95 -1.678 3.803 7.168 1.00 0.00 C ATOM 1369 O VAL A 95 -1.861 4.000 5.967 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.972 6.223 7.566 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.417 6.522 7.161 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.506 7.169 8.674 1.00 0.00 C ATOM 0 H VAL A 95 1.041 4.648 7.021 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.153 4.698 9.024 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.338 6.390 6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.503 7.567 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.700 5.883 6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.079 6.329 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.629 8.201 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.101 6.999 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.545 6.981 8.895 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.188 2.786 7.847 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.029 1.797 7.195 1.00 0.00 C ATOM 1384 C ILE A 96 -4.448 2.353 7.054 1.00 0.00 C ATOM 1385 O ILE A 96 -4.855 3.225 7.820 1.00 0.00 O ATOM 1386 CB ILE A 96 -2.963 0.462 7.939 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.549 0.194 8.459 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.478 -0.681 7.063 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.503 0.495 7.383 1.00 0.00 C ATOM 0 H ILE A 96 -2.035 2.626 8.843 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.665 1.592 6.188 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.620 0.522 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.358 0.809 9.339 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.464 -0.846 8.773 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.420 -1.618 7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.514 -0.488 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.868 -0.753 6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.493 0.296 7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.682 -0.139 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.574 1.542 7.089 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.161 1.825 6.070 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.525 2.257 5.820 1.00 0.00 C ATOM 1403 C GLY A 97 -7.505 1.091 5.964 1.00 0.00 C ATOM 1404 O GLY A 97 -7.549 0.204 5.113 1.00 0.00 O ATOM 0 H GLY A 97 -4.820 1.102 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.793 3.050 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.599 2.677 4.817 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.268 1.130 7.047 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.244 0.088 7.313 1.00 0.00 C ATOM 1410 C ARG A 98 -10.648 0.566 6.935 1.00 0.00 C ATOM 1411 O ARG A 98 -10.963 1.747 7.074 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.230 -0.317 8.788 1.00 0.00 C ATOM 1413 CG ARG A 98 -9.143 -1.837 8.939 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.835 -2.246 9.617 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.176 -3.320 8.840 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.595 -4.593 8.813 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.673 -4.959 9.520 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -6.935 -5.500 8.080 1.00 0.00 N ATOM 0 H ARG A 98 -8.229 1.868 7.750 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.977 -0.778 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.383 0.151 9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.132 0.050 9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.989 -2.197 9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.211 -2.308 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.172 -1.384 9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.034 -2.590 10.632 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.352 -3.076 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.175 -4.269 10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.992 -5.928 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.114 -5.222 7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.254 -6.469 8.059 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.453 -0.375 6.466 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.815 -0.065 6.068 1.00 0.00 C ATOM 1434 C GLU A 99 -13.672 0.240 7.298 1.00 0.00 C ATOM 1435 O GLU A 99 -13.831 -0.609 8.174 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.421 -1.205 5.248 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.561 -0.809 3.777 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.421 -2.029 2.864 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -14.317 -2.898 2.937 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -12.421 -2.066 2.115 1.00 0.00 O ATOM 0 H GLU A 99 -11.188 -1.353 6.353 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.793 0.822 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.792 -2.092 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.399 -1.468 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.531 -0.338 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.801 -0.070 3.522 1.00 0.00 H new