USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 639 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 81 GLN : amide:sc= -1.38 K(o=-1.9,f=-1.2) USER MOD Set 1.2: A 86 TYR OH : rot 30:sc= -0.549 USER MOD Set 2.1: A 22 GLN : amide:sc= -1.54 K(o=-2.4,f=-0.84) USER MOD Set 2.2: A 61 SER OG : rot 90:sc= -0.823 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -90:sc= -0.684 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 45 TYR OH : rot -101:sc= 0.156 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -126:sc= -0.362 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= 1.32 (180deg=-0.165) USER MOD Single : A 52 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -50:sc= -0.199 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 89 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.68) USER MOD Single : A 92 SER OG : rot -81:sc= 1.08 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.826 X(o=-0.83,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.453 -12.734 -0.056 1.00 0.00 N ATOM 137 CA TRP A 13 -6.215 -11.568 -0.899 1.00 0.00 C ATOM 138 C TRP A 13 -4.794 -11.045 -0.718 1.00 0.00 C ATOM 139 O TRP A 13 -4.371 -10.745 0.399 1.00 0.00 O ATOM 140 CB TRP A 13 -7.223 -10.464 -0.575 1.00 0.00 C ATOM 141 CG TRP A 13 -7.016 -9.216 -1.378 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.907 -8.420 -1.384 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.944 -8.621 -2.292 1.00 0.00 C ATOM 144 NE1 TRP A 13 -6.089 -7.365 -2.246 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.331 -7.466 -2.815 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.233 -8.952 -2.719 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.964 -6.643 -3.743 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.860 -8.133 -3.639 1.00 0.00 C ATOM 149 CH2 TRP A 13 -9.225 -6.990 -4.144 1.00 0.00 C ATOM 0 HA TRP A 13 -6.340 -11.871 -1.938 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.231 -10.839 -0.753 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.156 -10.220 0.485 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.017 -8.594 -0.797 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.410 -6.627 -2.432 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.730 -9.832 -2.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.476 -5.762 -4.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.857 -8.378 -3.975 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.741 -6.372 -4.863 1.00 0.00 H new ATOM 160 N HIS A 14 -4.061 -10.939 -1.822 1.00 0.00 N ATOM 161 CA HIS A 14 -2.687 -10.451 -1.783 1.00 0.00 C ATOM 162 C HIS A 14 -2.468 -9.363 -2.830 1.00 0.00 C ATOM 163 O HIS A 14 -3.219 -9.261 -3.801 1.00 0.00 O ATOM 164 CB HIS A 14 -1.708 -11.602 -2.014 1.00 0.00 C ATOM 165 CG HIS A 14 -1.417 -11.860 -3.460 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.275 -12.551 -4.289 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.355 -11.514 -4.224 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.753 -12.620 -5.501 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.588 -11.998 -5.488 1.00 0.00 N ATOM 0 H HIS A 14 -4.395 -11.184 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.507 -10.024 -0.797 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.774 -11.382 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.114 -12.509 -1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.514 -10.960 -3.900 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.202 -13.103 -6.356 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.037 -11.894 -6.287 1.00 0.00 H new ATOM 178 N LEU A 15 -1.435 -8.553 -2.627 1.00 0.00 N ATOM 179 CA LEU A 15 -1.116 -7.472 -3.553 1.00 0.00 C ATOM 180 C LEU A 15 0.393 -7.304 -3.695 1.00 0.00 C ATOM 181 O LEU A 15 1.156 -7.677 -2.804 1.00 0.00 O ATOM 182 CB LEU A 15 -1.744 -6.162 -3.074 1.00 0.00 C ATOM 183 CG LEU A 15 -1.959 -5.091 -4.144 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.284 -5.307 -4.858 1.00 0.00 C ATOM 185 CD2 LEU A 15 -1.905 -3.701 -3.525 1.00 0.00 C ATOM 0 H LEU A 15 -0.804 -8.624 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.527 -7.729 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.707 -6.390 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.111 -5.744 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.157 -5.172 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.419 -4.535 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.285 -6.287 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.099 -5.254 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.060 -2.951 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.685 -3.608 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.931 -3.547 -3.061 1.00 0.00 H new ATOM 197 N ALA A 16 0.817 -6.737 -4.820 1.00 0.00 N ATOM 198 CA ALA A 16 2.235 -6.515 -5.076 1.00 0.00 C ATOM 199 C ALA A 16 2.610 -5.053 -4.858 1.00 0.00 C ATOM 200 O ALA A 16 1.789 -4.156 -5.051 1.00 0.00 O ATOM 201 CB ALA A 16 2.590 -6.948 -6.491 1.00 0.00 C ATOM 0 H ALA A 16 0.199 -6.423 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 16 2.805 -7.118 -4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.652 -6.777 -6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.368 -8.008 -6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.005 -6.370 -7.206 1.00 0.00 H new ATOM 207 N VAL A 17 3.855 -4.820 -4.455 1.00 0.00 N ATOM 208 CA VAL A 17 4.338 -3.466 -4.211 1.00 0.00 C ATOM 209 C VAL A 17 5.764 -3.291 -4.723 1.00 0.00 C ATOM 210 O VAL A 17 6.591 -4.196 -4.611 1.00 0.00 O ATOM 211 CB VAL A 17 4.296 -3.116 -2.712 1.00 0.00 C ATOM 212 CG1 VAL A 17 4.858 -1.723 -2.472 1.00 0.00 C ATOM 213 CG2 VAL A 17 2.875 -3.225 -2.180 1.00 0.00 C ATOM 0 H VAL A 17 4.547 -5.551 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 17 3.675 -2.791 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 17 4.918 -3.830 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.820 -1.494 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.892 -1.684 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.265 -0.992 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.863 -2.974 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.229 -2.535 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.513 -4.244 -2.316 1.00 0.00 H new ATOM 223 N LYS A 18 6.046 -2.121 -5.284 1.00 0.00 N ATOM 224 CA LYS A 18 7.372 -1.824 -5.812 1.00 0.00 C ATOM 225 C LYS A 18 7.812 -0.418 -5.420 1.00 0.00 C ATOM 226 O LYS A 18 7.111 0.560 -5.685 1.00 0.00 O ATOM 227 CB LYS A 18 7.381 -1.966 -7.336 1.00 0.00 C ATOM 228 CG LYS A 18 7.393 -3.408 -7.813 1.00 0.00 C ATOM 229 CD LYS A 18 8.789 -4.005 -7.748 1.00 0.00 C ATOM 230 CE LYS A 18 9.679 -3.460 -8.855 1.00 0.00 C ATOM 231 NZ LYS A 18 9.575 -4.270 -10.100 1.00 0.00 N ATOM 0 H LYS A 18 5.373 -1.361 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 18 8.074 -2.538 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.504 -1.464 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.256 -1.453 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.714 -4.001 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.023 -3.457 -8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.236 -3.784 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.726 -5.090 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.401 -2.428 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.715 -3.448 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.196 -3.866 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.864 -5.249 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.592 -4.261 -10.439 1.00 0.00 H new ATOM 245 N LEU A 19 8.977 -0.322 -4.789 1.00 0.00 N ATOM 246 CA LEU A 19 9.512 0.966 -4.361 1.00 0.00 C ATOM 247 C LEU A 19 9.909 1.817 -5.563 1.00 0.00 C ATOM 248 O LEU A 19 10.890 1.524 -6.246 1.00 0.00 O ATOM 249 CB LEU A 19 10.720 0.760 -3.445 1.00 0.00 C ATOM 250 CG LEU A 19 11.073 1.931 -2.527 1.00 0.00 C ATOM 251 CD1 LEU A 19 9.965 2.166 -1.512 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.398 1.675 -1.823 1.00 0.00 C ATOM 0 H LEU A 19 9.569 -1.121 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 19 8.732 1.491 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.536 -0.118 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.588 0.536 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 19 11.175 2.829 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.234 3.003 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.036 2.394 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.831 1.270 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.634 2.518 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.323 0.767 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.187 1.557 -2.565 1.00 0.00 H new ATOM 264 N ALA A 20 9.142 2.873 -5.814 1.00 0.00 N ATOM 265 CA ALA A 20 9.416 3.769 -6.930 1.00 0.00 C ATOM 266 C ALA A 20 10.847 4.294 -6.873 1.00 0.00 C ATOM 267 O ALA A 20 11.503 4.448 -7.904 1.00 0.00 O ATOM 268 CB ALA A 20 8.427 4.924 -6.935 1.00 0.00 C ATOM 0 H ALA A 20 8.325 3.129 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 20 9.301 3.204 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.644 5.585 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.414 4.535 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.514 5.481 -6.002 1.00 0.00 H new ATOM 274 N ASP A 21 11.323 4.569 -5.664 1.00 0.00 N ATOM 275 CA ASP A 21 12.677 5.078 -5.473 1.00 0.00 C ATOM 276 C ASP A 21 13.711 4.000 -5.783 1.00 0.00 C ATOM 277 O ASP A 21 14.855 4.303 -6.119 1.00 0.00 O ATOM 278 CB ASP A 21 12.858 5.580 -4.040 1.00 0.00 C ATOM 279 CG ASP A 21 12.125 6.882 -3.786 1.00 0.00 C ATOM 280 OD1 ASP A 21 12.520 7.911 -4.374 1.00 0.00 O ATOM 281 OD2 ASP A 21 11.156 6.873 -2.999 1.00 0.00 O ATOM 0 H ASP A 21 10.792 4.448 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 21 12.828 5.909 -6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.498 4.822 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.920 5.719 -3.838 1.00 0.00 H new ATOM 286 N GLN A 22 13.300 2.741 -5.665 1.00 0.00 N ATOM 287 CA GLN A 22 14.192 1.619 -5.930 1.00 0.00 C ATOM 288 C GLN A 22 13.514 0.584 -6.822 1.00 0.00 C ATOM 289 O GLN A 22 12.940 -0.398 -6.350 1.00 0.00 O ATOM 290 CB GLN A 22 14.632 0.968 -4.618 1.00 0.00 C ATOM 291 CG GLN A 22 15.129 1.964 -3.582 1.00 0.00 C ATOM 292 CD GLN A 22 15.967 1.311 -2.501 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.047 0.784 -2.770 1.00 0.00 O ATOM 294 NE2 GLN A 22 15.474 1.343 -1.268 1.00 0.00 N ATOM 0 H GLN A 22 12.356 2.473 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 22 15.070 2.001 -6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.794 0.409 -4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.423 0.248 -4.827 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.719 2.735 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.275 2.462 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.575 1.790 -1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.995 0.920 -0.499 1.00 0.00 H new ATOM 303 N PRO A 23 13.581 0.806 -8.144 1.00 0.00 N ATOM 304 CA PRO A 23 12.979 -0.096 -9.130 1.00 0.00 C ATOM 305 C PRO A 23 13.712 -1.430 -9.218 1.00 0.00 C ATOM 306 O PRO A 23 13.287 -2.338 -9.934 1.00 0.00 O ATOM 307 CB PRO A 23 13.112 0.676 -10.445 1.00 0.00 C ATOM 308 CG PRO A 23 14.272 1.586 -10.234 1.00 0.00 C ATOM 309 CD PRO A 23 14.249 1.956 -8.776 1.00 0.00 C ATOM 0 HA PRO A 23 11.951 -0.353 -8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.285 0.002 -11.284 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.204 1.237 -10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.208 1.093 -10.497 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.192 2.473 -10.863 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.255 2.103 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.701 2.883 -8.605 1.00 0.00 H new ATOM 317 N LEU A 24 14.816 -1.543 -8.487 1.00 0.00 N ATOM 318 CA LEU A 24 15.609 -2.767 -8.482 1.00 0.00 C ATOM 319 C LEU A 24 15.324 -3.596 -7.234 1.00 0.00 C ATOM 320 O LEU A 24 15.468 -4.818 -7.242 1.00 0.00 O ATOM 321 CB LEU A 24 17.100 -2.433 -8.557 1.00 0.00 C ATOM 322 CG LEU A 24 17.517 -1.472 -9.672 1.00 0.00 C ATOM 323 CD1 LEU A 24 18.790 -0.733 -9.290 1.00 0.00 C ATOM 324 CD2 LEU A 24 17.706 -2.224 -10.981 1.00 0.00 C ATOM 0 H LEU A 24 15.182 -0.801 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 24 15.330 -3.354 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.404 -2.004 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.655 -3.363 -8.680 1.00 0.00 H new ATOM 0 HG LEU A 24 16.723 -0.738 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.072 -0.054 -10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.620 -0.163 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.592 -1.452 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.002 -1.525 -11.763 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.481 -2.980 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 24 16.770 -2.707 -11.262 1.00 0.00 H new ATOM 336 N ALA A 25 14.917 -2.922 -6.163 1.00 0.00 N ATOM 337 CA ALA A 25 14.608 -3.597 -4.908 1.00 0.00 C ATOM 338 C ALA A 25 13.666 -4.774 -5.136 1.00 0.00 C ATOM 339 O ALA A 25 12.897 -4.808 -6.097 1.00 0.00 O ATOM 340 CB ALA A 25 14.000 -2.615 -3.917 1.00 0.00 C ATOM 0 H ALA A 25 14.794 -1.910 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 25 15.538 -3.985 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.774 -3.132 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.708 -1.809 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.082 -2.200 -4.333 1.00 0.00 H new ATOM 346 N PRO A 26 13.725 -5.763 -4.232 1.00 0.00 N ATOM 347 CA PRO A 26 12.883 -6.960 -4.313 1.00 0.00 C ATOM 348 C PRO A 26 11.415 -6.657 -4.030 1.00 0.00 C ATOM 349 O PRO A 26 11.081 -6.041 -3.018 1.00 0.00 O ATOM 350 CB PRO A 26 13.459 -7.873 -3.227 1.00 0.00 C ATOM 351 CG PRO A 26 14.098 -6.946 -2.253 1.00 0.00 C ATOM 352 CD PRO A 26 14.617 -5.789 -3.061 1.00 0.00 C ATOM 0 HA PRO A 26 12.895 -7.400 -5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.677 -8.467 -2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.184 -8.573 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.379 -6.609 -1.506 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.907 -7.441 -1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.572 -4.855 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.657 -5.936 -3.351 1.00 0.00 H new ATOM 360 N LYS A 27 10.542 -7.095 -4.930 1.00 0.00 N ATOM 361 CA LYS A 27 9.109 -6.873 -4.778 1.00 0.00 C ATOM 362 C LYS A 27 8.661 -7.167 -3.350 1.00 0.00 C ATOM 363 O LYS A 27 9.127 -8.122 -2.727 1.00 0.00 O ATOM 364 CB LYS A 27 8.328 -7.751 -5.759 1.00 0.00 C ATOM 365 CG LYS A 27 6.831 -7.499 -5.742 1.00 0.00 C ATOM 366 CD LYS A 27 6.180 -7.916 -7.050 1.00 0.00 C ATOM 367 CE LYS A 27 5.770 -9.380 -7.027 1.00 0.00 C ATOM 368 NZ LYS A 27 5.359 -9.862 -8.375 1.00 0.00 N ATOM 0 H LYS A 27 10.802 -7.606 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 27 8.905 -5.825 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.705 -7.579 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.514 -8.799 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.378 -8.049 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.641 -6.441 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.304 -7.295 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.873 -7.744 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.601 -9.984 -6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.946 -9.516 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.087 -10.864 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.550 -9.302 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.153 -9.757 -9.038 1.00 0.00 H new ATOM 382 N SER A 28 7.755 -6.342 -2.836 1.00 0.00 N ATOM 383 CA SER A 28 7.246 -6.513 -1.480 1.00 0.00 C ATOM 384 C SER A 28 5.773 -6.908 -1.498 1.00 0.00 C ATOM 385 O SER A 28 4.905 -6.097 -1.823 1.00 0.00 O ATOM 386 CB SER A 28 7.430 -5.223 -0.678 1.00 0.00 C ATOM 387 OG SER A 28 7.514 -5.494 0.711 1.00 0.00 O ATOM 0 H SER A 28 7.358 -5.548 -3.338 1.00 0.00 H new ATOM 0 HA SER A 28 7.813 -7.313 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.335 -4.712 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.595 -4.549 -0.871 1.00 0.00 H new ATOM 0 HG SER A 28 6.617 -5.469 1.104 1.00 0.00 H new ATOM 393 N ILE A 29 5.499 -8.160 -1.147 1.00 0.00 N ATOM 394 CA ILE A 29 4.131 -8.663 -1.122 1.00 0.00 C ATOM 395 C ILE A 29 3.404 -8.215 0.141 1.00 0.00 C ATOM 396 O ILE A 29 3.900 -8.396 1.254 1.00 0.00 O ATOM 397 CB ILE A 29 4.095 -10.201 -1.203 1.00 0.00 C ATOM 398 CG1 ILE A 29 5.081 -10.700 -2.262 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.686 -10.682 -1.515 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.665 -10.371 -3.678 1.00 0.00 C ATOM 0 H ILE A 29 6.205 -8.844 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 29 3.627 -8.249 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 29 4.391 -10.609 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.061 -10.263 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.189 -11.780 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.677 -11.771 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.007 -10.352 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.364 -10.269 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.410 -10.755 -4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.700 -10.831 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.585 -9.290 -3.792 1.00 0.00 H new ATOM 412 N LEU A 30 2.224 -7.631 -0.038 1.00 0.00 N ATOM 413 CA LEU A 30 1.426 -7.158 1.088 1.00 0.00 C ATOM 414 C LEU A 30 0.191 -8.032 1.285 1.00 0.00 C ATOM 415 O LEU A 30 -0.335 -8.602 0.330 1.00 0.00 O ATOM 416 CB LEU A 30 1.006 -5.704 0.866 1.00 0.00 C ATOM 417 CG LEU A 30 0.607 -4.922 2.118 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.793 -4.780 3.059 1.00 0.00 C ATOM 419 CD2 LEU A 30 0.057 -3.555 1.740 1.00 0.00 C ATOM 0 H LEU A 30 1.799 -7.474 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 30 2.039 -7.219 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.829 -5.179 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.166 -5.691 0.171 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.176 -5.476 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.490 -4.221 3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.142 -5.769 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.598 -4.248 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.222 -3.013 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.819 -2.993 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.821 -3.679 1.106 1.00 0.00 H new ATOM 431 N GLN A 31 -0.267 -8.128 2.529 1.00 0.00 N ATOM 432 CA GLN A 31 -1.442 -8.931 2.849 1.00 0.00 C ATOM 433 C GLN A 31 -2.430 -8.135 3.695 1.00 0.00 C ATOM 434 O GLN A 31 -2.233 -7.959 4.898 1.00 0.00 O ATOM 435 CB GLN A 31 -1.029 -10.204 3.589 1.00 0.00 C ATOM 436 CG GLN A 31 -0.347 -11.231 2.699 1.00 0.00 C ATOM 437 CD GLN A 31 -0.126 -12.557 3.400 1.00 0.00 C ATOM 438 OE1 GLN A 31 0.239 -12.597 4.576 1.00 0.00 O ATOM 439 NE2 GLN A 31 -0.346 -13.651 2.682 1.00 0.00 N ATOM 0 H GLN A 31 0.157 -7.661 3.331 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.930 -9.205 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.356 -9.938 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.913 -10.656 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.953 -11.392 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.613 -10.837 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.648 -13.572 1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.214 -14.571 3.101 1.00 0.00 H new ATOM 448 N LEU A 32 -3.494 -7.656 3.059 1.00 0.00 N ATOM 449 CA LEU A 32 -4.514 -6.878 3.754 1.00 0.00 C ATOM 450 C LEU A 32 -5.348 -7.767 4.670 1.00 0.00 C ATOM 451 O LEU A 32 -5.515 -8.964 4.431 1.00 0.00 O ATOM 452 CB LEU A 32 -5.421 -6.173 2.744 1.00 0.00 C ATOM 453 CG LEU A 32 -6.432 -7.061 2.017 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.740 -7.126 2.791 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.673 -6.549 0.604 1.00 0.00 C ATOM 0 H LEU A 32 -3.673 -7.793 2.064 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.011 -6.130 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.967 -5.385 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.792 -5.687 1.998 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.021 -8.068 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.447 -7.762 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.556 -7.539 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.156 -6.123 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.395 -7.193 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.062 -5.532 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.734 -6.555 0.050 1.00 0.00 H new ATOM 467 N PRO A 33 -5.886 -7.171 5.744 1.00 0.00 N ATOM 468 CA PRO A 33 -6.715 -7.891 6.716 1.00 0.00 C ATOM 469 C PRO A 33 -8.067 -8.294 6.140 1.00 0.00 C ATOM 470 O PRO A 33 -8.946 -7.454 5.949 1.00 0.00 O ATOM 471 CB PRO A 33 -6.897 -6.876 7.847 1.00 0.00 C ATOM 472 CG PRO A 33 -6.732 -5.547 7.194 1.00 0.00 C ATOM 473 CD PRO A 33 -5.729 -5.749 6.092 1.00 0.00 C ATOM 0 HA PRO A 33 -6.252 -8.825 7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.880 -6.971 8.309 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.158 -7.024 8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.681 -5.187 6.797 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.382 -4.802 7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.933 -5.102 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.715 -5.526 6.425 1.00 0.00 H new ATOM 598 N LEU A 42 -14.466 -6.653 -1.620 1.00 0.00 N ATOM 599 CA LEU A 42 -14.025 -5.546 -0.778 1.00 0.00 C ATOM 600 C LEU A 42 -14.745 -4.255 -1.154 1.00 0.00 C ATOM 601 O LEU A 42 -15.626 -3.791 -0.433 1.00 0.00 O ATOM 602 CB LEU A 42 -12.512 -5.356 -0.905 1.00 0.00 C ATOM 603 CG LEU A 42 -11.652 -6.574 -0.567 1.00 0.00 C ATOM 604 CD1 LEU A 42 -10.183 -6.186 -0.492 1.00 0.00 C ATOM 605 CD2 LEU A 42 -12.107 -7.203 0.742 1.00 0.00 C ATOM 0 HA LEU A 42 -14.270 -5.788 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.289 -5.051 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.213 -4.534 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.772 -7.311 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.586 -7.066 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.863 -5.783 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.045 -5.431 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.483 -8.068 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.018 -6.473 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.146 -7.519 0.652 1.00 0.00 H new ATOM 617 N GLY A 43 -14.364 -3.681 -2.291 1.00 0.00 N ATOM 618 CA GLY A 43 -14.984 -2.450 -2.745 1.00 0.00 C ATOM 619 C GLY A 43 -15.370 -1.538 -1.597 1.00 0.00 C ATOM 620 O GLY A 43 -16.544 -1.213 -1.421 1.00 0.00 O ATOM 0 H GLY A 43 -13.637 -4.047 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.297 -1.924 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.872 -2.688 -3.330 1.00 0.00 H new ATOM 624 N GLY A 44 -14.380 -1.126 -0.812 1.00 0.00 N ATOM 625 CA GLY A 44 -14.642 -0.252 0.316 1.00 0.00 C ATOM 626 C GLY A 44 -13.373 0.323 0.913 1.00 0.00 C ATOM 627 O GLY A 44 -13.373 1.438 1.434 1.00 0.00 O ATOM 0 H GLY A 44 -13.401 -1.382 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.291 0.563 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.182 -0.807 1.084 1.00 0.00 H new ATOM 631 N TYR A 45 -12.288 -0.441 0.838 1.00 0.00 N ATOM 632 CA TYR A 45 -11.007 -0.003 1.379 1.00 0.00 C ATOM 633 C TYR A 45 -10.591 1.336 0.777 1.00 0.00 C ATOM 634 O TYR A 45 -10.706 1.550 -0.429 1.00 0.00 O ATOM 635 CB TYR A 45 -9.929 -1.054 1.106 1.00 0.00 C ATOM 636 CG TYR A 45 -9.895 -2.165 2.131 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.399 -1.943 3.409 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.358 -3.438 1.820 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.365 -2.956 4.348 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.329 -4.456 2.753 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.832 -4.210 4.015 1.00 0.00 C ATOM 642 OH TYR A 45 -9.800 -5.223 4.947 1.00 0.00 O ATOM 0 H TYR A 45 -12.271 -1.366 0.408 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.119 0.122 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.096 -1.486 0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.955 -0.565 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.034 -0.962 3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.747 -3.635 0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.975 -2.767 5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.694 -5.439 2.495 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.036 -5.810 4.766 1.00 0.00 H new ATOM 652 N SER A 46 -10.105 2.234 1.629 1.00 0.00 N ATOM 653 CA SER A 46 -9.674 3.554 1.184 1.00 0.00 C ATOM 654 C SER A 46 -8.167 3.584 0.951 1.00 0.00 C ATOM 655 O SER A 46 -7.389 3.132 1.792 1.00 0.00 O ATOM 656 CB SER A 46 -10.063 4.616 2.215 1.00 0.00 C ATOM 657 OG SER A 46 -11.468 4.800 2.252 1.00 0.00 O ATOM 0 H SER A 46 -10.000 2.071 2.630 1.00 0.00 H new ATOM 0 HA SER A 46 -10.174 3.773 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.706 4.318 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.576 5.560 1.971 1.00 0.00 H new ATOM 0 HG SER A 46 -11.691 5.482 2.919 1.00 0.00 H new ATOM 663 N ILE A 47 -7.762 4.118 -0.196 1.00 0.00 N ATOM 664 CA ILE A 47 -6.348 4.207 -0.540 1.00 0.00 C ATOM 665 C ILE A 47 -5.496 4.455 0.700 1.00 0.00 C ATOM 666 O ILE A 47 -4.544 3.722 0.968 1.00 0.00 O ATOM 667 CB ILE A 47 -6.087 5.330 -1.561 1.00 0.00 C ATOM 668 CG1 ILE A 47 -6.831 5.044 -2.868 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.595 5.478 -1.816 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.466 3.715 -3.492 1.00 0.00 C ATOM 0 H ILE A 47 -8.393 4.496 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.070 3.251 -0.984 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.460 6.268 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.904 5.065 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.618 5.841 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.427 6.276 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.089 5.723 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.198 4.542 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.031 3.579 -4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.399 3.698 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.705 2.909 -2.798 1.00 0.00 H new ATOM 682 N SER A 48 -5.845 5.492 1.454 1.00 0.00 N ATOM 683 CA SER A 48 -5.111 5.838 2.666 1.00 0.00 C ATOM 684 C SER A 48 -4.704 4.582 3.431 1.00 0.00 C ATOM 685 O SER A 48 -3.537 4.408 3.785 1.00 0.00 O ATOM 686 CB SER A 48 -5.960 6.742 3.561 1.00 0.00 C ATOM 687 OG SER A 48 -6.992 6.007 4.196 1.00 0.00 O ATOM 0 H SER A 48 -6.632 6.108 1.247 1.00 0.00 H new ATOM 0 HA SER A 48 -4.208 6.374 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.327 7.211 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.395 7.544 2.965 1.00 0.00 H new ATOM 0 HG SER A 48 -7.855 6.436 4.020 1.00 0.00 H new ATOM 693 N PHE A 49 -5.674 3.710 3.684 1.00 0.00 N ATOM 694 CA PHE A 49 -5.418 2.470 4.408 1.00 0.00 C ATOM 695 C PHE A 49 -4.141 1.802 3.908 1.00 0.00 C ATOM 696 O PHE A 49 -3.167 1.665 4.650 1.00 0.00 O ATOM 697 CB PHE A 49 -6.601 1.512 4.256 1.00 0.00 C ATOM 698 CG PHE A 49 -6.580 0.373 5.234 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.401 0.608 6.588 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.740 -0.933 4.801 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.380 -0.438 7.490 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.721 -1.984 5.699 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.541 -1.736 7.045 1.00 0.00 C ATOM 0 H PHE A 49 -6.645 3.839 3.398 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.290 2.714 5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.529 2.070 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.605 1.110 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.276 1.621 6.942 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.881 -1.133 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.238 -0.241 8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.847 -2.998 5.348 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.526 -2.555 7.749 1.00 0.00 H new ATOM 713 N LEU A 50 -4.152 1.387 2.646 1.00 0.00 N ATOM 714 CA LEU A 50 -2.995 0.732 2.046 1.00 0.00 C ATOM 715 C LEU A 50 -1.723 1.532 2.302 1.00 0.00 C ATOM 716 O LEU A 50 -0.724 0.995 2.781 1.00 0.00 O ATOM 717 CB LEU A 50 -3.208 0.557 0.541 1.00 0.00 C ATOM 718 CG LEU A 50 -3.966 -0.700 0.112 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.204 -0.693 -1.390 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.204 -1.950 0.527 1.00 0.00 C ATOM 0 H LEU A 50 -4.949 1.492 2.019 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.883 -0.249 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.747 1.427 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.233 0.553 0.054 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.934 -0.706 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.745 -1.595 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.792 0.184 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.246 -0.663 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.758 -2.835 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.222 -1.951 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.086 -1.961 1.610 1.00 0.00 H new ATOM 732 N LYS A 51 -1.766 2.821 1.980 1.00 0.00 N ATOM 733 CA LYS A 51 -0.618 3.698 2.178 1.00 0.00 C ATOM 734 C LYS A 51 -0.027 3.514 3.572 1.00 0.00 C ATOM 735 O LYS A 51 1.128 3.865 3.816 1.00 0.00 O ATOM 736 CB LYS A 51 -1.026 5.159 1.974 1.00 0.00 C ATOM 737 CG LYS A 51 -1.139 5.561 0.513 1.00 0.00 C ATOM 738 CD LYS A 51 -1.882 6.876 0.353 1.00 0.00 C ATOM 739 CE LYS A 51 -1.681 7.464 -1.036 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.482 8.704 -1.235 1.00 0.00 N ATOM 0 H LYS A 51 -2.584 3.281 1.581 1.00 0.00 H new ATOM 0 HA LYS A 51 0.142 3.433 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.984 5.332 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.296 5.803 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.142 5.650 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.658 4.779 -0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.946 6.718 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.534 7.586 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.625 7.686 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.962 6.726 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.908 8.693 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.234 8.750 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.864 9.535 -1.143 1.00 0.00 H new ATOM 754 N GLN A 52 -0.824 2.962 4.480 1.00 0.00 N ATOM 755 CA GLN A 52 -0.378 2.732 5.849 1.00 0.00 C ATOM 756 C GLN A 52 0.248 1.348 5.992 1.00 0.00 C ATOM 757 O GLN A 52 1.363 1.208 6.497 1.00 0.00 O ATOM 758 CB GLN A 52 -1.550 2.878 6.822 1.00 0.00 C ATOM 759 CG GLN A 52 -2.342 4.161 6.631 1.00 0.00 C ATOM 760 CD GLN A 52 -2.967 4.657 7.920 1.00 0.00 C ATOM 761 OE1 GLN A 52 -2.770 4.072 8.985 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.727 5.742 7.830 1.00 0.00 N ATOM 0 H GLN A 52 -1.782 2.666 4.293 1.00 0.00 H new ATOM 0 HA GLN A 52 0.378 3.480 6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.219 2.026 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.170 2.844 7.843 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.685 4.933 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.126 3.993 5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.863 6.196 6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.174 6.122 8.664 1.00 0.00 H new ATOM 771 N LEU A 53 -0.476 0.328 5.545 1.00 0.00 N ATOM 772 CA LEU A 53 0.007 -1.046 5.623 1.00 0.00 C ATOM 773 C LEU A 53 1.387 -1.175 4.986 1.00 0.00 C ATOM 774 O LEU A 53 2.283 -1.807 5.545 1.00 0.00 O ATOM 775 CB LEU A 53 -0.976 -1.994 4.934 1.00 0.00 C ATOM 776 CG LEU A 53 -2.286 -2.258 5.677 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.337 -1.230 5.287 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.785 -3.667 5.392 1.00 0.00 C ATOM 0 H LEU A 53 -1.400 0.427 5.125 1.00 0.00 H new ATOM 0 HA LEU A 53 0.086 -1.318 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.214 -1.587 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.475 -2.948 4.771 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.099 -2.169 6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.263 -1.434 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.981 -0.232 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.521 -1.287 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.718 -3.838 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.955 -3.783 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.039 -4.391 5.721 1.00 0.00 H new ATOM 790 N ILE A 54 1.551 -0.569 3.815 1.00 0.00 N ATOM 791 CA ILE A 54 2.823 -0.613 3.104 1.00 0.00 C ATOM 792 C ILE A 54 3.913 0.118 3.881 1.00 0.00 C ATOM 793 O ILE A 54 4.967 -0.447 4.169 1.00 0.00 O ATOM 794 CB ILE A 54 2.704 0.009 1.700 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.936 -0.929 0.766 1.00 0.00 C ATOM 796 CG2 ILE A 54 4.085 0.312 1.137 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.440 -0.708 0.786 1.00 0.00 C ATOM 0 H ILE A 54 0.819 -0.042 3.339 1.00 0.00 H new ATOM 0 HA ILE A 54 3.094 -1.664 3.005 1.00 0.00 H new ATOM 0 HB ILE A 54 2.151 0.945 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.302 -0.795 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.147 -1.961 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.985 0.751 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.600 1.013 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.661 -0.611 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.040 -1.407 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.062 -0.871 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.219 0.313 0.476 1.00 0.00 H new ATOM 809 N ALA A 55 3.649 1.376 4.218 1.00 0.00 N ATOM 810 CA ALA A 55 4.606 2.183 4.966 1.00 0.00 C ATOM 811 C ALA A 55 4.986 1.507 6.279 1.00 0.00 C ATOM 812 O ALA A 55 6.071 1.733 6.813 1.00 0.00 O ATOM 813 CB ALA A 55 4.036 3.569 5.228 1.00 0.00 C ATOM 0 H ALA A 55 2.781 1.858 3.985 1.00 0.00 H new ATOM 0 HA ALA A 55 5.510 2.282 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.761 4.161 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.822 4.060 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.116 3.481 5.806 1.00 0.00 H new ATOM 819 N GLY A 56 4.085 0.677 6.795 1.00 0.00 N ATOM 820 CA GLY A 56 4.345 -0.018 8.042 1.00 0.00 C ATOM 821 C GLY A 56 5.183 -1.266 7.847 1.00 0.00 C ATOM 822 O GLY A 56 5.770 -1.783 8.797 1.00 0.00 O ATOM 0 H GLY A 56 3.180 0.473 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.856 0.655 8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.397 -0.290 8.507 1.00 0.00 H new ATOM 826 N LYS A 57 5.238 -1.752 6.612 1.00 0.00 N ATOM 827 CA LYS A 57 6.010 -2.947 6.294 1.00 0.00 C ATOM 828 C LYS A 57 7.356 -2.578 5.679 1.00 0.00 C ATOM 829 O LYS A 57 8.349 -3.283 5.864 1.00 0.00 O ATOM 830 CB LYS A 57 5.227 -3.844 5.332 1.00 0.00 C ATOM 831 CG LYS A 57 4.195 -4.721 6.022 1.00 0.00 C ATOM 832 CD LYS A 57 4.854 -5.837 6.816 1.00 0.00 C ATOM 833 CE LYS A 57 3.910 -7.013 7.011 1.00 0.00 C ATOM 834 NZ LYS A 57 4.377 -7.926 8.091 1.00 0.00 N ATOM 0 H LYS A 57 4.757 -1.336 5.814 1.00 0.00 H new ATOM 0 HA LYS A 57 6.191 -3.490 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.725 -3.219 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.927 -4.479 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.584 -4.111 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.524 -5.150 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.753 -6.172 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.169 -5.457 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.914 -6.643 7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.825 -7.569 6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.707 -8.715 8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.317 -8.300 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.434 -7.402 8.988 1.00 0.00 H new ATOM 848 N LEU A 58 7.383 -1.469 4.947 1.00 0.00 N ATOM 849 CA LEU A 58 8.608 -1.006 4.306 1.00 0.00 C ATOM 850 C LEU A 58 9.258 0.111 5.116 1.00 0.00 C ATOM 851 O LEU A 58 9.962 0.959 4.568 1.00 0.00 O ATOM 852 CB LEU A 58 8.311 -0.516 2.888 1.00 0.00 C ATOM 853 CG LEU A 58 7.322 -1.357 2.080 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.235 -0.852 0.649 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.725 -2.824 2.106 1.00 0.00 C ATOM 0 H LEU A 58 6.571 -0.874 4.783 1.00 0.00 H new ATOM 0 HA LEU A 58 9.302 -1.845 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.926 0.502 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.251 -0.468 2.338 1.00 0.00 H new ATOM 0 HG LEU A 58 6.337 -1.263 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.526 -1.463 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.899 0.185 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.217 -0.915 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.010 -3.408 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.720 -2.936 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.734 -3.181 3.136 1.00 0.00 H new ATOM 867 N GLN A 59 9.018 0.103 6.424 1.00 0.00 N ATOM 868 CA GLN A 59 9.581 1.116 7.309 1.00 0.00 C ATOM 869 C GLN A 59 11.083 1.260 7.085 1.00 0.00 C ATOM 870 O GLN A 59 11.685 2.259 7.477 1.00 0.00 O ATOM 871 CB GLN A 59 9.305 0.756 8.770 1.00 0.00 C ATOM 872 CG GLN A 59 7.945 1.224 9.265 1.00 0.00 C ATOM 873 CD GLN A 59 7.907 1.423 10.767 1.00 0.00 C ATOM 874 OE1 GLN A 59 8.082 0.476 11.535 1.00 0.00 O ATOM 875 NE2 GLN A 59 7.679 2.659 11.195 1.00 0.00 N ATOM 0 H GLN A 59 8.438 -0.593 6.893 1.00 0.00 H new ATOM 0 HA GLN A 59 9.104 2.069 7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.373 -0.325 8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.081 1.195 9.397 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.686 2.161 8.772 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.188 0.494 8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.540 3.414 10.523 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.643 2.854 12.196 1.00 0.00 H new ATOM 884 N GLU A 60 11.681 0.256 6.451 1.00 0.00 N ATOM 885 CA GLU A 60 13.113 0.273 6.176 1.00 0.00 C ATOM 886 C GLU A 60 13.465 1.385 5.192 1.00 0.00 C ATOM 887 O GLU A 60 14.536 1.987 5.277 1.00 0.00 O ATOM 888 CB GLU A 60 13.563 -1.079 5.617 1.00 0.00 C ATOM 889 CG GLU A 60 12.997 -1.388 4.242 1.00 0.00 C ATOM 890 CD GLU A 60 13.386 -2.767 3.747 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.592 -3.091 3.779 1.00 0.00 O ATOM 892 OE2 GLU A 60 12.485 -3.523 3.327 1.00 0.00 O ATOM 0 H GLU A 60 11.197 -0.578 6.119 1.00 0.00 H new ATOM 0 HA GLU A 60 13.635 0.463 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.652 -1.097 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.264 -1.866 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.910 -1.311 4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.348 -0.639 3.532 1.00 0.00 H new ATOM 899 N SER A 61 12.557 1.651 4.259 1.00 0.00 N ATOM 900 CA SER A 61 12.773 2.687 3.256 1.00 0.00 C ATOM 901 C SER A 61 11.796 3.843 3.450 1.00 0.00 C ATOM 902 O SER A 61 12.170 5.011 3.347 1.00 0.00 O ATOM 903 CB SER A 61 12.619 2.105 1.849 1.00 0.00 C ATOM 904 OG SER A 61 13.447 2.786 0.922 1.00 0.00 O ATOM 0 H SER A 61 11.665 1.164 4.177 1.00 0.00 H new ATOM 0 HA SER A 61 13.788 3.067 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.875 1.046 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.578 2.178 1.534 1.00 0.00 H new ATOM 0 HG SER A 61 14.322 2.347 0.881 1.00 0.00 H new ATOM 910 N VAL A 62 10.541 3.507 3.731 1.00 0.00 N ATOM 911 CA VAL A 62 9.509 4.516 3.941 1.00 0.00 C ATOM 912 C VAL A 62 9.434 4.929 5.407 1.00 0.00 C ATOM 913 O VAL A 62 9.185 4.113 6.295 1.00 0.00 O ATOM 914 CB VAL A 62 8.126 4.006 3.491 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.164 5.169 3.303 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.250 3.193 2.212 1.00 0.00 C ATOM 0 H VAL A 62 10.214 2.545 3.818 1.00 0.00 H new ATOM 0 HA VAL A 62 9.784 5.381 3.337 1.00 0.00 H new ATOM 0 HB VAL A 62 7.725 3.357 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.193 4.790 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.054 5.706 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.555 5.846 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.264 2.840 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.671 3.817 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.903 2.338 2.386 1.00 0.00 H new ATOM 926 N PRO A 63 9.653 6.226 5.668 1.00 0.00 N ATOM 927 CA PRO A 63 9.615 6.778 7.025 1.00 0.00 C ATOM 928 C PRO A 63 8.203 6.799 7.603 1.00 0.00 C ATOM 929 O PRO A 63 7.970 6.323 8.714 1.00 0.00 O ATOM 930 CB PRO A 63 10.140 8.204 6.844 1.00 0.00 C ATOM 931 CG PRO A 63 9.836 8.542 5.425 1.00 0.00 C ATOM 932 CD PRO A 63 9.955 7.254 4.658 1.00 0.00 C ATOM 0 HA PRO A 63 10.200 6.180 7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.651 8.896 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.210 8.260 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.835 8.962 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.532 9.289 5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.254 7.217 3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.954 7.126 4.240 1.00 0.00 H new ATOM 940 N ASP A 64 7.266 7.354 6.841 1.00 0.00 N ATOM 941 CA ASP A 64 5.877 7.436 7.277 1.00 0.00 C ATOM 942 C ASP A 64 4.930 7.388 6.082 1.00 0.00 C ATOM 943 O ASP A 64 5.266 7.809 4.975 1.00 0.00 O ATOM 944 CB ASP A 64 5.646 8.719 8.077 1.00 0.00 C ATOM 945 CG ASP A 64 5.884 8.526 9.561 1.00 0.00 C ATOM 946 OD1 ASP A 64 7.053 8.615 9.992 1.00 0.00 O ATOM 947 OD2 ASP A 64 4.900 8.288 10.293 1.00 0.00 O ATOM 0 H ASP A 64 7.443 7.753 5.919 1.00 0.00 H new ATOM 0 HA ASP A 64 5.670 6.578 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.308 9.500 7.704 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.624 9.064 7.918 1.00 0.00 H new ATOM 952 N PRO A 65 3.716 6.863 6.309 1.00 0.00 N ATOM 953 CA PRO A 65 2.695 6.748 5.264 1.00 0.00 C ATOM 954 C PRO A 65 2.138 8.104 4.846 1.00 0.00 C ATOM 955 O PRO A 65 1.606 8.254 3.747 1.00 0.00 O ATOM 956 CB PRO A 65 1.604 5.902 5.925 1.00 0.00 C ATOM 957 CG PRO A 65 1.774 6.141 7.386 1.00 0.00 C ATOM 958 CD PRO A 65 3.248 6.343 7.605 1.00 0.00 C ATOM 0 HA PRO A 65 3.096 6.312 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.612 6.201 5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.719 4.846 5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.209 7.016 7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.406 5.294 7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.441 7.047 8.414 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.747 5.410 7.868 1.00 0.00 H new ATOM 966 N GLU A 66 2.265 9.089 5.729 1.00 0.00 N ATOM 967 CA GLU A 66 1.773 10.433 5.450 1.00 0.00 C ATOM 968 C GLU A 66 2.766 11.208 4.588 1.00 0.00 C ATOM 969 O GLU A 66 2.374 12.011 3.740 1.00 0.00 O ATOM 970 CB GLU A 66 1.517 11.188 6.756 1.00 0.00 C ATOM 971 CG GLU A 66 0.615 10.441 7.724 1.00 0.00 C ATOM 972 CD GLU A 66 -0.193 11.374 8.606 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.809 12.316 8.065 1.00 0.00 O ATOM 974 OE2 GLU A 66 -0.209 11.162 9.837 1.00 0.00 O ATOM 0 H GLU A 66 2.704 8.982 6.643 1.00 0.00 H new ATOM 0 HA GLU A 66 0.835 10.342 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.471 11.389 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.068 12.154 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.064 9.800 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.223 9.789 8.352 1.00 0.00 H new ATOM 981 N LEU A 67 4.052 10.962 4.812 1.00 0.00 N ATOM 982 CA LEU A 67 5.102 11.636 4.057 1.00 0.00 C ATOM 983 C LEU A 67 5.335 10.949 2.715 1.00 0.00 C ATOM 984 O LEU A 67 6.309 11.239 2.019 1.00 0.00 O ATOM 985 CB LEU A 67 6.402 11.660 4.863 1.00 0.00 C ATOM 986 CG LEU A 67 6.274 12.068 6.331 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.615 11.946 7.038 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.735 13.486 6.446 1.00 0.00 C ATOM 0 H LEU A 67 4.393 10.301 5.510 1.00 0.00 H new ATOM 0 HA LEU A 67 4.779 12.660 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.851 10.668 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.096 12.345 4.375 1.00 0.00 H new ATOM 0 HG LEU A 67 5.569 11.393 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.504 12.241 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.961 10.913 6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.343 12.596 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.651 13.759 7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.415 14.175 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.753 13.541 5.977 1.00 0.00 H new ATOM 1000 N ILE A 68 4.434 10.040 2.358 1.00 0.00 N ATOM 1001 CA ILE A 68 4.540 9.315 1.098 1.00 0.00 C ATOM 1002 C ILE A 68 3.172 9.142 0.446 1.00 0.00 C ATOM 1003 O ILE A 68 2.140 9.266 1.105 1.00 0.00 O ATOM 1004 CB ILE A 68 5.179 7.927 1.299 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.379 7.117 2.321 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.626 8.070 1.744 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.263 6.301 1.706 1.00 0.00 C ATOM 0 H ILE A 68 3.623 9.788 2.923 1.00 0.00 H new ATOM 0 HA ILE A 68 5.179 9.910 0.445 1.00 0.00 H new ATOM 0 HB ILE A 68 5.163 7.394 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.056 6.449 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.956 7.797 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.064 7.081 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.188 8.613 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.665 8.618 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.739 5.753 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.564 6.965 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.681 5.596 0.987 1.00 0.00 H new ATOM 1019 N ASP A 69 3.174 8.855 -0.851 1.00 0.00 N ATOM 1020 CA ASP A 69 1.933 8.663 -1.592 1.00 0.00 C ATOM 1021 C ASP A 69 1.936 7.321 -2.318 1.00 0.00 C ATOM 1022 O ASP A 69 2.932 6.596 -2.301 1.00 0.00 O ATOM 1023 CB ASP A 69 1.732 9.799 -2.596 1.00 0.00 C ATOM 1024 CG ASP A 69 1.612 11.152 -1.922 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.937 11.235 -0.875 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.192 12.128 -2.443 1.00 0.00 O ATOM 0 H ASP A 69 4.020 8.750 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 69 1.109 8.669 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.570 9.816 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.833 9.607 -3.182 1.00 0.00 H new ATOM 1031 N LEU A 70 0.816 6.996 -2.955 1.00 0.00 N ATOM 1032 CA LEU A 70 0.689 5.740 -3.686 1.00 0.00 C ATOM 1033 C LEU A 70 0.474 5.997 -5.175 1.00 0.00 C ATOM 1034 O LEU A 70 -0.279 6.893 -5.558 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.472 4.917 -3.127 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.488 3.435 -3.505 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.867 2.801 -3.232 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.584 2.702 -2.745 1.00 0.00 C ATOM 0 H LEU A 70 -0.017 7.585 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 70 1.616 5.180 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.455 4.994 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.406 5.367 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.697 3.354 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.837 1.747 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.631 3.308 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.105 2.893 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.580 1.649 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.406 2.792 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.552 3.140 -2.990 1.00 0.00 H new ATOM 1050 N ILE A 71 1.139 5.204 -6.008 1.00 0.00 N ATOM 1051 CA ILE A 71 1.018 5.343 -7.454 1.00 0.00 C ATOM 1052 C ILE A 71 0.576 4.033 -8.097 1.00 0.00 C ATOM 1053 O ILE A 71 1.190 2.987 -7.887 1.00 0.00 O ATOM 1054 CB ILE A 71 2.348 5.791 -8.089 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.931 6.979 -7.322 1.00 0.00 C ATOM 1056 CG2 ILE A 71 2.141 6.149 -9.553 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.985 8.154 -7.218 1.00 0.00 C ATOM 0 H ILE A 71 1.767 4.459 -5.707 1.00 0.00 H new ATOM 0 HA ILE A 71 0.262 6.107 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 71 3.057 4.965 -8.033 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.205 6.654 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.848 7.304 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.089 6.464 -9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.766 5.278 -10.091 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.419 6.962 -9.630 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.465 8.959 -6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.730 8.505 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.077 7.845 -6.699 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.493 4.099 -8.884 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.019 2.918 -9.558 1.00 0.00 C ATOM 1071 C TYR A 72 -1.490 3.260 -10.968 1.00 0.00 C ATOM 1072 O TYR A 72 -1.981 4.361 -11.221 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.174 2.318 -8.755 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.919 1.226 -9.488 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.483 -0.093 -9.439 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.057 1.512 -10.231 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.160 -1.094 -10.109 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.741 0.517 -10.903 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.289 -0.784 -10.838 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.967 -1.778 -11.507 1.00 0.00 O ATOM 0 H TYR A 72 -1.012 4.957 -9.070 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.216 2.185 -9.630 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.785 1.916 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.874 3.111 -8.494 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.600 -0.340 -8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.414 2.530 -10.285 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.807 -2.114 -10.062 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.625 0.757 -11.476 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.740 -1.392 -11.970 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.336 2.310 -11.883 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.745 2.509 -13.269 1.00 0.00 C ATOM 1092 C CYS A 73 -1.145 3.793 -13.834 1.00 0.00 C ATOM 1093 O CYS A 73 -1.727 4.428 -14.712 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.270 2.557 -13.371 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.906 2.322 -15.047 1.00 0.00 S ATOM 0 H CYS A 73 -0.931 1.394 -11.690 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.375 1.668 -13.855 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.691 1.788 -12.723 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.619 3.518 -12.993 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.281 3.117 -15.864 1.00 0.00 H new ATOM 1101 N GLY A 74 0.022 4.170 -13.322 1.00 0.00 N ATOM 1102 CA GLY A 74 0.681 5.377 -13.785 1.00 0.00 C ATOM 1103 C GLY A 74 -0.024 6.636 -13.322 1.00 0.00 C ATOM 1104 O GLY A 74 0.057 7.677 -13.975 1.00 0.00 O ATOM 0 H GLY A 74 0.523 3.661 -12.594 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.710 5.387 -13.425 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.725 5.368 -14.874 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.719 6.542 -12.193 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.443 7.682 -11.645 1.00 0.00 C ATOM 1110 C ARG A 75 -1.512 7.602 -10.122 1.00 0.00 C ATOM 1111 O ARG A 75 -1.691 6.525 -9.554 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.857 7.743 -12.227 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.776 6.649 -11.709 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.229 6.929 -12.062 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.557 6.493 -13.416 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.792 6.484 -13.906 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.809 6.886 -13.157 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -7.011 6.073 -15.149 1.00 0.00 N ATOM 0 H ARG A 75 -0.796 5.688 -11.640 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.904 8.589 -11.920 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.295 8.714 -11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.797 7.672 -13.313 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.476 5.690 -12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.672 6.567 -10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.879 6.421 -11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.426 7.997 -11.967 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.797 6.178 -14.019 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.645 7.203 -12.202 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.756 6.878 -13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.231 5.764 -15.729 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.959 6.066 -15.524 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.367 8.749 -9.467 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.412 8.810 -8.011 1.00 0.00 C ATOM 1134 C LYS A 76 -2.820 8.523 -7.499 1.00 0.00 C ATOM 1135 O LYS A 76 -3.807 8.978 -8.077 1.00 0.00 O ATOM 1136 CB LYS A 76 -0.951 10.185 -7.524 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.748 10.261 -6.020 1.00 0.00 C ATOM 1138 CD LYS A 76 -2.048 10.574 -5.297 1.00 0.00 C ATOM 1139 CE LYS A 76 -1.791 11.112 -3.898 1.00 0.00 C ATOM 1140 NZ LYS A 76 -1.661 12.596 -3.890 1.00 0.00 N ATOM 0 H LYS A 76 -1.217 9.650 -9.922 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.739 8.048 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.016 10.443 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.687 10.932 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.348 9.314 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.009 11.028 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.618 11.305 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.658 9.672 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.607 10.815 -3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.880 10.665 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.487 12.924 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.866 12.878 -4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.539 13.023 -4.247 1.00 0.00 H new ATOM 1154 N LEU A 77 -2.905 7.768 -6.409 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.192 7.421 -5.817 1.00 0.00 C ATOM 1156 C LEU A 77 -4.483 8.292 -4.599 1.00 0.00 C ATOM 1157 O LEU A 77 -3.656 8.410 -3.695 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.212 5.944 -5.419 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.701 4.959 -6.471 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.636 3.552 -5.897 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.587 4.992 -7.708 1.00 0.00 C ATOM 0 H LEU A 77 -2.098 7.384 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.967 7.600 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.613 5.823 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.236 5.671 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.694 5.258 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.270 2.864 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.960 3.539 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.631 3.243 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.208 4.285 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.606 4.719 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.582 5.996 -8.132 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.666 8.898 -4.581 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.069 9.756 -3.473 1.00 0.00 C ATOM 1175 C LYS A 78 -6.798 8.952 -2.401 1.00 0.00 C ATOM 1176 O LYS A 78 -7.280 7.849 -2.659 1.00 0.00 O ATOM 1177 CB LYS A 78 -6.968 10.887 -3.977 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.199 12.066 -4.547 1.00 0.00 C ATOM 1179 CD LYS A 78 -5.572 12.907 -3.448 1.00 0.00 C ATOM 1180 CE LYS A 78 -5.399 14.354 -3.884 1.00 0.00 C ATOM 1181 NZ LYS A 78 -4.854 15.202 -2.787 1.00 0.00 N ATOM 0 H LYS A 78 -6.362 8.811 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.169 10.185 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.636 10.495 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.595 11.235 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.420 11.703 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.870 12.685 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.197 12.867 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.603 12.489 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.730 14.397 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.360 14.753 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.751 16.181 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.505 15.182 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.925 14.837 -2.494 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.877 9.513 -1.199 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.550 8.850 -0.088 1.00 0.00 C ATOM 1197 C ASP A 79 -9.065 8.894 -0.267 1.00 0.00 C ATOM 1198 O ASP A 79 -9.812 8.353 0.549 1.00 0.00 O ATOM 1199 CB ASP A 79 -7.161 9.506 1.237 1.00 0.00 C ATOM 1200 CG ASP A 79 -8.262 9.412 2.275 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -8.464 8.310 2.827 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -8.923 10.440 2.534 1.00 0.00 O ATOM 0 H ASP A 79 -6.483 10.425 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.234 7.807 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.260 9.030 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.919 10.554 1.063 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.511 9.541 -1.337 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.936 9.656 -1.623 1.00 0.00 C ATOM 1209 C ASP A 80 -11.385 8.571 -2.596 1.00 0.00 C ATOM 1210 O ASP A 80 -12.543 8.537 -3.011 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.253 11.038 -2.198 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.488 12.075 -1.118 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -10.499 12.667 -0.638 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -12.662 12.295 -0.753 1.00 0.00 O ATOM 0 H ASP A 80 -8.906 9.994 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.480 9.527 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.429 11.361 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.138 10.971 -2.831 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.459 7.688 -2.957 1.00 0.00 N ATOM 1220 CA GLN A 81 -10.760 6.603 -3.884 1.00 0.00 C ATOM 1221 C GLN A 81 -10.731 5.255 -3.171 1.00 0.00 C ATOM 1222 O GLN A 81 -10.100 5.107 -2.123 1.00 0.00 O ATOM 1223 CB GLN A 81 -9.761 6.602 -5.042 1.00 0.00 C ATOM 1224 CG GLN A 81 -9.427 7.992 -5.559 1.00 0.00 C ATOM 1225 CD GLN A 81 -10.500 8.547 -6.476 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -10.333 8.581 -7.695 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.609 8.985 -5.892 1.00 0.00 N ATOM 0 H GLN A 81 -9.496 7.703 -2.622 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.763 6.763 -4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.842 6.114 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.167 6.007 -5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.292 8.667 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.478 7.958 -6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.704 8.937 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.366 9.369 -6.458 1.00 0.00 H new ATOM 1236 N THR A 82 -11.418 4.272 -3.745 1.00 0.00 N ATOM 1237 CA THR A 82 -11.472 2.937 -3.164 1.00 0.00 C ATOM 1238 C THR A 82 -11.009 1.883 -4.164 1.00 0.00 C ATOM 1239 O THR A 82 -11.148 2.058 -5.375 1.00 0.00 O ATOM 1240 CB THR A 82 -12.896 2.588 -2.691 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.834 2.814 -3.749 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.282 3.420 -1.477 1.00 0.00 C ATOM 0 H THR A 82 -11.945 4.376 -4.612 1.00 0.00 H new ATOM 0 HA THR A 82 -10.801 2.939 -2.305 1.00 0.00 H new ATOM 0 HB THR A 82 -12.914 1.535 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.736 2.588 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.291 3.156 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.584 3.222 -0.664 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.248 4.478 -1.735 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.458 0.789 -3.650 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.975 -0.295 -4.498 1.00 0.00 C ATOM 1252 C LEU A 83 -10.872 -0.474 -5.718 1.00 0.00 C ATOM 1253 O LEU A 83 -10.389 -0.635 -6.839 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.909 -1.601 -3.703 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.675 -1.787 -2.820 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.512 -2.332 -3.634 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.293 -0.474 -2.153 1.00 0.00 C ATOM 0 H LEU A 83 -10.335 0.629 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.974 -0.035 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.796 -1.664 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.958 -2.433 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.916 -2.510 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.643 -2.458 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.788 -3.296 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.270 -1.634 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.413 -0.626 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.072 0.271 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.121 -0.126 -1.535 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.181 -0.441 -5.493 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.147 -0.596 -6.575 1.00 0.00 C ATOM 1271 C ASP A 84 -13.125 0.616 -7.500 1.00 0.00 C ATOM 1272 O ASP A 84 -13.083 0.476 -8.723 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.553 -0.795 -6.007 1.00 0.00 C ATOM 1274 CG ASP A 84 -14.867 -2.253 -5.734 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -13.945 -2.994 -5.335 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.036 -2.652 -5.920 1.00 0.00 O ATOM 0 H ASP A 84 -12.598 -0.308 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.870 -1.477 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.652 -0.226 -5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -15.285 -0.394 -6.708 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.156 1.806 -6.910 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.142 3.043 -7.681 1.00 0.00 C ATOM 1283 C PHE A 85 -12.154 2.950 -8.841 1.00 0.00 C ATOM 1284 O PHE A 85 -12.493 3.255 -9.985 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.779 4.226 -6.781 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.103 5.562 -7.387 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.337 6.072 -8.423 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.174 6.307 -6.921 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -12.633 7.301 -8.982 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.475 7.537 -7.476 1.00 0.00 C ATOM 1291 CZ PHE A 85 -13.704 8.034 -8.508 1.00 0.00 C ATOM 0 H PHE A 85 -13.191 1.940 -5.899 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.141 3.199 -8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.309 4.128 -5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.713 4.187 -6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.499 5.503 -8.798 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.781 5.922 -6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.028 7.688 -9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.312 8.108 -7.103 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.938 8.994 -8.944 1.00 0.00 H new ATOM 1301 N TYR A 86 -10.932 2.527 -8.537 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.894 2.396 -9.552 1.00 0.00 C ATOM 1303 C TYR A 86 -9.983 1.043 -10.250 1.00 0.00 C ATOM 1304 O TYR A 86 -9.568 0.896 -11.399 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.511 2.568 -8.922 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.138 4.010 -8.663 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.017 4.915 -9.710 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -7.907 4.467 -7.372 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.676 6.233 -9.479 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.567 5.784 -7.131 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.452 6.663 -8.187 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.113 7.976 -7.953 1.00 0.00 O ATOM 0 H TYR A 86 -10.636 2.269 -7.596 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.047 3.178 -10.295 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.479 2.019 -7.981 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.764 2.121 -9.578 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.193 4.582 -10.722 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -7.995 3.781 -6.542 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.585 6.923 -10.305 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.392 6.123 -6.121 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.516 8.545 -8.642 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.528 0.055 -9.546 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.663 -1.274 -10.114 1.00 0.00 C ATOM 1324 C GLY A 87 -9.425 -2.123 -9.902 1.00 0.00 C ATOM 1325 O GLY A 87 -9.106 -2.982 -10.725 1.00 0.00 O ATOM 0 H GLY A 87 -10.878 0.151 -8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.523 -1.772 -9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.864 -1.191 -11.182 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.726 -1.882 -8.799 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.516 -2.630 -8.483 1.00 0.00 C ATOM 1331 C ILE A 88 -7.830 -4.101 -8.230 1.00 0.00 C ATOM 1332 O ILE A 88 -8.718 -4.430 -7.445 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.801 -2.050 -7.248 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.246 -0.659 -7.560 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.687 -2.982 -6.795 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.189 0.253 -6.355 1.00 0.00 C ATOM 0 H ILE A 88 -8.977 -1.174 -8.109 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.857 -2.544 -9.347 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.524 -1.959 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.244 -0.762 -7.976 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.864 -0.194 -8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.191 -2.559 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.108 -3.954 -6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.963 -3.102 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.786 1.222 -6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.193 0.386 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.548 -0.190 -5.593 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.092 -4.981 -8.900 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.292 -6.417 -8.747 1.00 0.00 C ATOM 1350 C GLN A 89 -6.229 -7.020 -7.834 1.00 0.00 C ATOM 1351 O GLN A 89 -5.129 -6.487 -7.685 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.259 -7.107 -10.112 1.00 0.00 C ATOM 1353 CG GLN A 89 -8.515 -6.882 -10.938 1.00 0.00 C ATOM 1354 CD GLN A 89 -9.785 -7.122 -10.146 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -10.115 -8.260 -9.809 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -10.506 -6.049 -9.843 1.00 0.00 N ATOM 0 H GLN A 89 -6.351 -4.725 -9.553 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.269 -6.575 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.396 -6.745 -10.672 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.118 -8.178 -9.965 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.517 -5.861 -11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.500 -7.545 -11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.195 -5.125 -10.142 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.370 -6.149 -9.311 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.563 -8.158 -7.207 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.651 -8.858 -6.298 1.00 0.00 C ATOM 1367 C PRO A 90 -4.475 -9.493 -7.032 1.00 0.00 C ATOM 1368 O PRO A 90 -4.584 -10.597 -7.562 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.536 -9.938 -5.670 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.613 -10.175 -6.672 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.857 -8.849 -7.338 1.00 0.00 C ATOM 0 HA PRO A 90 -5.200 -8.181 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.970 -10.849 -5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.948 -9.607 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.310 -10.928 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.519 -10.543 -6.191 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.144 -8.971 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.659 -8.296 -6.850 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.348 -8.786 -7.058 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.168 -9.297 -7.729 1.00 0.00 C ATOM 1381 C GLY A 91 -1.406 -8.215 -8.467 1.00 0.00 C ATOM 1382 O GLY A 91 -0.196 -8.323 -8.667 1.00 0.00 O ATOM 0 H GLY A 91 -3.232 -7.869 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.511 -9.764 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.463 -10.074 -8.434 1.00 0.00 H new ATOM 1386 N SER A 92 -2.116 -7.167 -8.875 1.00 0.00 N ATOM 1387 CA SER A 92 -1.500 -6.062 -9.600 1.00 0.00 C ATOM 1388 C SER A 92 -0.251 -5.567 -8.877 1.00 0.00 C ATOM 1389 O SER A 92 0.105 -6.069 -7.810 1.00 0.00 O ATOM 1390 CB SER A 92 -2.497 -4.913 -9.764 1.00 0.00 C ATOM 1391 OG SER A 92 -3.317 -4.782 -8.616 1.00 0.00 O ATOM 0 H SER A 92 -3.118 -7.060 -8.716 1.00 0.00 H new ATOM 0 HA SER A 92 -1.209 -6.424 -10.586 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.958 -3.982 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.119 -5.090 -10.641 1.00 0.00 H new ATOM 0 HG SER A 92 -4.043 -5.439 -8.656 1.00 0.00 H new ATOM 1397 N THR A 93 0.413 -4.577 -9.466 1.00 0.00 N ATOM 1398 CA THR A 93 1.623 -4.013 -8.881 1.00 0.00 C ATOM 1399 C THR A 93 1.538 -2.493 -8.800 1.00 0.00 C ATOM 1400 O THR A 93 1.330 -1.819 -9.808 1.00 0.00 O ATOM 1401 CB THR A 93 2.874 -4.404 -9.690 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.872 -5.813 -9.944 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.143 -4.019 -8.945 1.00 0.00 C ATOM 0 H THR A 93 0.133 -4.149 -10.348 1.00 0.00 H new ATOM 0 HA THR A 93 1.708 -4.423 -7.875 1.00 0.00 H new ATOM 0 HB THR A 93 2.851 -3.865 -10.637 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.670 -6.053 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.013 -4.305 -9.536 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.155 -2.942 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.172 -4.534 -7.985 1.00 0.00 H new ATOM 1411 N VAL A 94 1.701 -1.959 -7.593 1.00 0.00 N ATOM 1412 CA VAL A 94 1.645 -0.518 -7.381 1.00 0.00 C ATOM 1413 C VAL A 94 3.003 0.028 -6.955 1.00 0.00 C ATOM 1414 O VAL A 94 3.795 -0.672 -6.323 1.00 0.00 O ATOM 1415 CB VAL A 94 0.597 -0.148 -6.315 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.742 -0.795 -6.635 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.079 -0.557 -4.931 1.00 0.00 C ATOM 0 H VAL A 94 1.873 -2.503 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 94 1.359 -0.069 -8.332 1.00 0.00 H new ATOM 0 HB VAL A 94 0.462 0.934 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.470 -0.522 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.090 -0.448 -7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.627 -1.879 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.327 -0.288 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.244 -1.634 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.012 -0.042 -4.704 1.00 0.00 H new ATOM 1427 N HIS A 95 3.266 1.283 -7.304 1.00 0.00 N ATOM 1428 CA HIS A 95 4.529 1.925 -6.957 1.00 0.00 C ATOM 1429 C HIS A 95 4.316 3.006 -5.901 1.00 0.00 C ATOM 1430 O HIS A 95 3.337 3.750 -5.947 1.00 0.00 O ATOM 1431 CB HIS A 95 5.176 2.532 -8.201 1.00 0.00 C ATOM 1432 CG HIS A 95 5.812 1.518 -9.101 1.00 0.00 C ATOM 1433 ND1 HIS A 95 7.030 0.930 -8.832 1.00 0.00 N ATOM 1434 CD2 HIS A 95 5.390 0.986 -10.272 1.00 0.00 C ATOM 1435 CE1 HIS A 95 7.331 0.082 -9.798 1.00 0.00 C ATOM 1436 NE2 HIS A 95 6.352 0.096 -10.685 1.00 0.00 N ATOM 0 H HIS A 95 2.621 1.876 -7.827 1.00 0.00 H new ATOM 0 HA HIS A 95 5.194 1.165 -6.546 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.420 3.081 -8.763 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.931 3.255 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.469 1.218 -10.786 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.225 -0.521 -9.854 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.316 -0.463 -11.538 1.00 0.00 H new ATOM 1445 N VAL A 96 5.241 3.086 -4.948 1.00 0.00 N ATOM 1446 CA VAL A 96 5.155 4.075 -3.881 1.00 0.00 C ATOM 1447 C VAL A 96 6.100 5.243 -4.137 1.00 0.00 C ATOM 1448 O VAL A 96 7.283 5.048 -4.419 1.00 0.00 O ATOM 1449 CB VAL A 96 5.484 3.453 -2.511 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.798 4.538 -1.493 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.335 2.578 -2.033 1.00 0.00 C ATOM 0 H VAL A 96 6.058 2.477 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 96 4.128 4.439 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 96 6.368 2.824 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.028 4.079 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.656 5.118 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.935 5.196 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.585 2.147 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.432 3.182 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.163 1.778 -2.753 1.00 0.00 H new ATOM 1461 N LEU A 97 5.572 6.458 -4.037 1.00 0.00 N ATOM 1462 CA LEU A 97 6.369 7.660 -4.257 1.00 0.00 C ATOM 1463 C LEU A 97 6.352 8.558 -3.024 1.00 0.00 C ATOM 1464 O LEU A 97 5.297 9.039 -2.609 1.00 0.00 O ATOM 1465 CB LEU A 97 5.843 8.429 -5.470 1.00 0.00 C ATOM 1466 CG LEU A 97 6.817 9.419 -6.110 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.414 10.338 -5.056 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.915 8.679 -6.860 1.00 0.00 C ATOM 0 H LEU A 97 4.595 6.637 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 97 7.398 7.355 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.538 7.708 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.948 8.973 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 97 6.266 10.030 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.105 11.035 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.616 10.895 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.950 9.743 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.599 9.400 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.464 8.042 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.470 8.065 -7.643 1.00 0.00 H new ATOM 1480 N ARG A 98 7.527 8.781 -2.445 1.00 0.00 N ATOM 1481 CA ARG A 98 7.647 9.623 -1.260 1.00 0.00 C ATOM 1482 C ARG A 98 7.609 11.101 -1.638 1.00 0.00 C ATOM 1483 O ARG A 98 8.138 11.502 -2.675 1.00 0.00 O ATOM 1484 CB ARG A 98 8.945 9.309 -0.515 1.00 0.00 C ATOM 1485 CG ARG A 98 10.190 9.831 -1.213 1.00 0.00 C ATOM 1486 CD ARG A 98 11.442 9.566 -0.392 1.00 0.00 C ATOM 1487 NE ARG A 98 12.642 9.515 -1.224 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.200 10.586 -1.775 1.00 0.00 C ATOM 1489 NH1 ARG A 98 12.671 11.787 -1.583 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.291 10.459 -2.519 1.00 0.00 N ATOM 0 H ARG A 98 8.409 8.391 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 98 6.801 9.411 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.893 9.739 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.032 8.229 -0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.287 9.356 -2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.088 10.902 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.555 10.348 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.332 8.623 0.143 1.00 0.00 H new ATOM 0 HE ARG A 98 13.075 8.606 -1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.833 11.890 -1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.102 12.608 -2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.702 9.538 -2.668 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.719 11.283 -2.942 1.00 0.00 H new