USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 Single : A 14 MET CE :methyl 172:sc= 0 (180deg=-0.0367) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= 0.592 (180deg=-0.0896) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -95:sc= 0.326 USER MOD Single : A 20 THR OG1 : rot -42:sc= 0.00961 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.05! C(o=-3.1!,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ -124:sc= -0.694! (180deg=-0.883!) USER MOD Single : A 33 THR OG1 : rot 147:sc= 0.0792 USER MOD Single : A 35 GLN : amide:sc= -3.76 K(o=-3.8,f=-5.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 71:sc= 0.669 USER MOD Single : A 63 ASN : amide:sc= -2.46! X(o=-2.5!,f=-2.8) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.74! C(o=-5.7!,f=-6.2!) USER MOD Single : A 67 LYS NZ :NH3+ 148:sc= -0.392 (180deg=-1.68!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.5!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.181 -11.529 -0.396 1.00 0.00 N ATOM 119 CA LEU A 11 3.541 -10.501 0.419 1.00 0.00 C ATOM 120 C LEU A 11 4.462 -10.051 1.548 1.00 0.00 C ATOM 121 O LEU A 11 4.716 -8.858 1.716 1.00 0.00 O ATOM 122 CB LEU A 11 2.226 -11.027 0.997 1.00 0.00 C ATOM 123 CG LEU A 11 1.088 -11.235 -0.003 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.132 -11.819 0.690 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.737 -9.923 -0.691 1.00 0.00 C ATOM 0 HA LEU A 11 3.333 -9.642 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.425 -11.977 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.886 -10.332 1.764 1.00 0.00 H new ATOM 0 HG LEU A 11 1.421 -11.943 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.931 -11.960 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.127 -12.780 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.468 -11.137 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.075 -10.089 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.423 -9.193 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.611 -9.546 -1.222 1.00 0.00 H new ATOM 137 N GLU A 12 4.961 -11.013 2.318 1.00 0.00 N ATOM 138 CA GLU A 12 5.855 -10.713 3.431 1.00 0.00 C ATOM 139 C GLU A 12 6.943 -9.732 3.005 1.00 0.00 C ATOM 140 O GLU A 12 7.148 -8.700 3.644 1.00 0.00 O ATOM 141 CB GLU A 12 6.492 -11.999 3.962 1.00 0.00 C ATOM 142 CG GLU A 12 5.495 -12.955 4.595 1.00 0.00 C ATOM 143 CD GLU A 12 5.024 -12.489 5.959 1.00 0.00 C ATOM 144 OE1 GLU A 12 5.880 -12.109 6.785 1.00 0.00 O ATOM 145 OE2 GLU A 12 3.798 -12.503 6.199 1.00 0.00 O ATOM 0 H GLU A 12 4.762 -12.005 2.192 1.00 0.00 H new ATOM 0 HA GLU A 12 5.266 -10.253 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.001 -12.508 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.253 -11.741 4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.634 -13.065 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.952 -13.940 4.690 1.00 0.00 H new ATOM 152 N ASP A 13 7.639 -10.063 1.922 1.00 0.00 N ATOM 153 CA ASP A 13 8.706 -9.211 1.410 1.00 0.00 C ATOM 154 C ASP A 13 8.177 -7.822 1.067 1.00 0.00 C ATOM 155 O ASP A 13 8.928 -6.848 1.050 1.00 0.00 O ATOM 156 CB ASP A 13 9.345 -9.846 0.174 1.00 0.00 C ATOM 157 CG ASP A 13 10.761 -9.358 -0.062 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.970 -8.127 -0.074 1.00 0.00 O ATOM 159 OD2 ASP A 13 11.660 -10.208 -0.235 1.00 0.00 O ATOM 0 H ASP A 13 7.483 -10.915 1.382 1.00 0.00 H new ATOM 0 HA ASP A 13 9.461 -9.109 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.352 -10.930 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.736 -9.622 -0.702 1.00 0.00 H new ATOM 164 N MET A 14 6.878 -7.740 0.795 1.00 0.00 N ATOM 165 CA MET A 14 6.249 -6.470 0.453 1.00 0.00 C ATOM 166 C MET A 14 5.881 -5.690 1.711 1.00 0.00 C ATOM 167 O MET A 14 6.399 -4.599 1.951 1.00 0.00 O ATOM 168 CB MET A 14 4.999 -6.709 -0.397 1.00 0.00 C ATOM 169 CG MET A 14 4.220 -5.439 -0.702 1.00 0.00 C ATOM 170 SD MET A 14 2.493 -5.764 -1.105 1.00 0.00 S ATOM 171 CE MET A 14 1.810 -6.038 0.528 1.00 0.00 C ATOM 0 H MET A 14 6.242 -8.537 0.805 1.00 0.00 H new ATOM 0 HA MET A 14 6.964 -5.881 -0.122 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.292 -7.180 -1.335 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.346 -7.411 0.121 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.269 -4.772 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.692 -4.919 -1.536 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.725 -6.111 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.211 -6.964 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.078 -5.206 1.179 1.00 0.00 H new ATOM 181 N LYS A 15 4.983 -6.255 2.511 1.00 0.00 N ATOM 182 CA LYS A 15 4.545 -5.613 3.745 1.00 0.00 C ATOM 183 C LYS A 15 5.741 -5.148 4.569 1.00 0.00 C ATOM 184 O LYS A 15 5.761 -4.025 5.075 1.00 0.00 O ATOM 185 CB LYS A 15 3.688 -6.577 4.569 1.00 0.00 C ATOM 186 CG LYS A 15 4.347 -7.924 4.809 1.00 0.00 C ATOM 187 CD LYS A 15 3.440 -8.857 5.593 1.00 0.00 C ATOM 188 CE LYS A 15 3.691 -8.750 7.090 1.00 0.00 C ATOM 189 NZ LYS A 15 3.360 -10.017 7.799 1.00 0.00 N ATOM 0 H LYS A 15 4.544 -7.157 2.327 1.00 0.00 H new ATOM 0 HA LYS A 15 3.947 -4.741 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.461 -6.117 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.738 -6.733 4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.601 -8.381 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.281 -7.781 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.398 -8.618 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.604 -9.884 5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.737 -8.498 7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.093 -7.937 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.969 -10.116 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.363 -9.999 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.516 -10.823 7.161 1.00 0.00 H new ATOM 203 N LYS A 16 6.738 -6.016 4.699 1.00 0.00 N ATOM 204 CA LYS A 16 7.940 -5.694 5.460 1.00 0.00 C ATOM 205 C LYS A 16 8.558 -4.387 4.973 1.00 0.00 C ATOM 206 O LYS A 16 9.115 -3.622 5.760 1.00 0.00 O ATOM 207 CB LYS A 16 8.961 -6.828 5.344 1.00 0.00 C ATOM 208 CG LYS A 16 8.797 -7.904 6.403 1.00 0.00 C ATOM 209 CD LYS A 16 10.109 -8.621 6.678 1.00 0.00 C ATOM 210 CE LYS A 16 10.965 -7.855 7.674 1.00 0.00 C ATOM 211 NZ LYS A 16 10.561 -8.132 9.081 1.00 0.00 N ATOM 0 H LYS A 16 6.738 -6.949 4.287 1.00 0.00 H new ATOM 0 HA LYS A 16 7.657 -5.574 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.874 -7.284 4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.965 -6.410 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.427 -7.455 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.048 -8.626 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.905 -9.620 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.659 -8.746 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.012 -8.126 7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.884 -6.786 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.168 -7.591 9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.569 -7.850 9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.663 -9.148 9.278 1.00 0.00 H new ATOM 225 N TYR A 17 8.455 -4.138 3.672 1.00 0.00 N ATOM 226 CA TYR A 17 9.005 -2.924 3.080 1.00 0.00 C ATOM 227 C TYR A 17 7.989 -1.787 3.127 1.00 0.00 C ATOM 228 O TYR A 17 8.209 -0.770 3.785 1.00 0.00 O ATOM 229 CB TYR A 17 9.430 -3.184 1.634 1.00 0.00 C ATOM 230 CG TYR A 17 9.719 -1.923 0.852 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.970 -1.322 0.904 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.741 -1.332 0.062 1.00 0.00 C ATOM 233 CE1 TYR A 17 11.239 -0.169 0.192 1.00 0.00 C ATOM 234 CE2 TYR A 17 9.001 -0.180 -0.655 1.00 0.00 C ATOM 235 CZ TYR A 17 10.252 0.398 -0.586 1.00 0.00 C ATOM 236 OH TYR A 17 10.514 1.546 -1.298 1.00 0.00 O ATOM 0 H TYR A 17 7.996 -4.761 3.007 1.00 0.00 H new ATOM 0 HA TYR A 17 9.879 -2.630 3.661 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.320 -3.814 1.633 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.643 -3.743 1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.746 -1.764 1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.760 -1.781 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.217 0.286 0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.230 0.265 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 17 10.222 2.326 -0.781 1.00 0.00 H new ATOM 246 N ALA A 18 6.876 -1.968 2.425 1.00 0.00 N ATOM 247 CA ALA A 18 5.824 -0.959 2.387 1.00 0.00 C ATOM 248 C ALA A 18 5.640 -0.307 3.753 1.00 0.00 C ATOM 249 O ALA A 18 5.325 0.879 3.847 1.00 0.00 O ATOM 250 CB ALA A 18 4.516 -1.577 1.915 1.00 0.00 C ATOM 0 H ALA A 18 6.679 -2.804 1.875 1.00 0.00 H new ATOM 0 HA ALA A 18 6.123 -0.185 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.740 -0.812 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.649 -1.990 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.221 -2.372 2.600 1.00 0.00 H new ATOM 256 N GLU A 19 5.839 -1.089 4.809 1.00 0.00 N ATOM 257 CA GLU A 19 5.693 -0.586 6.170 1.00 0.00 C ATOM 258 C GLU A 19 6.818 0.386 6.514 1.00 0.00 C ATOM 259 O GLU A 19 6.590 1.585 6.678 1.00 0.00 O ATOM 260 CB GLU A 19 5.684 -1.746 7.168 1.00 0.00 C ATOM 261 CG GLU A 19 5.376 -1.320 8.594 1.00 0.00 C ATOM 262 CD GLU A 19 3.888 -1.188 8.855 1.00 0.00 C ATOM 263 OE1 GLU A 19 3.242 -0.346 8.197 1.00 0.00 O ATOM 264 OE2 GLU A 19 3.370 -1.929 9.717 1.00 0.00 O ATOM 0 H GLU A 19 6.102 -2.073 4.749 1.00 0.00 H new ATOM 0 HA GLU A 19 4.744 -0.054 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.945 -2.482 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.656 -2.240 7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.799 -2.048 9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.863 -0.366 8.797 1.00 0.00 H new ATOM 271 N THR A 20 8.034 -0.139 6.623 1.00 0.00 N ATOM 272 CA THR A 20 9.194 0.680 6.949 1.00 0.00 C ATOM 273 C THR A 20 9.407 1.772 5.907 1.00 0.00 C ATOM 274 O THR A 20 10.166 2.716 6.128 1.00 0.00 O ATOM 275 CB THR A 20 10.473 -0.172 7.051 1.00 0.00 C ATOM 276 OG1 THR A 20 11.447 0.499 7.857 1.00 0.00 O ATOM 277 CG2 THR A 20 11.052 -0.446 5.671 1.00 0.00 C ATOM 0 H THR A 20 8.241 -1.129 6.490 1.00 0.00 H new ATOM 0 HA THR A 20 8.994 1.139 7.917 1.00 0.00 H new ATOM 0 HB THR A 20 10.212 -1.123 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.455 1.453 7.634 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.955 -1.049 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.319 -0.984 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.297 0.498 5.185 1.00 0.00 H new ATOM 285 N PHE A 21 8.731 1.639 4.771 1.00 0.00 N ATOM 286 CA PHE A 21 8.846 2.615 3.693 1.00 0.00 C ATOM 287 C PHE A 21 7.750 3.671 3.797 1.00 0.00 C ATOM 288 O PHE A 21 7.979 4.849 3.519 1.00 0.00 O ATOM 289 CB PHE A 21 8.770 1.917 2.334 1.00 0.00 C ATOM 290 CG PHE A 21 8.515 2.857 1.191 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.393 3.894 0.920 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.397 2.704 0.386 1.00 0.00 C ATOM 293 CE1 PHE A 21 9.161 4.761 -0.130 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.160 3.568 -0.666 1.00 0.00 C ATOM 295 CZ PHE A 21 8.043 4.597 -0.925 1.00 0.00 C ATOM 0 H PHE A 21 8.097 0.865 4.573 1.00 0.00 H new ATOM 0 HA PHE A 21 9.813 3.110 3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.704 1.385 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.978 1.169 2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.269 4.026 1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.703 1.900 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.853 5.566 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.285 3.438 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.860 5.273 -1.748 1.00 0.00 H new ATOM 305 N LEU A 22 6.559 3.242 4.200 1.00 0.00 N ATOM 306 CA LEU A 22 5.426 4.150 4.341 1.00 0.00 C ATOM 307 C LEU A 22 5.331 4.685 5.766 1.00 0.00 C ATOM 308 O LEU A 22 4.471 5.510 6.073 1.00 0.00 O ATOM 309 CB LEU A 22 4.126 3.436 3.964 1.00 0.00 C ATOM 310 CG LEU A 22 3.997 3.004 2.503 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.857 2.011 2.340 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.786 4.214 1.605 1.00 0.00 C ATOM 0 H LEU A 22 6.353 2.271 4.435 1.00 0.00 H new ATOM 0 HA LEU A 22 5.580 4.992 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.025 2.552 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.291 4.095 4.202 1.00 0.00 H new ATOM 0 HG LEU A 22 4.924 2.514 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.780 1.714 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.050 1.131 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.922 2.475 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.696 3.887 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.875 4.733 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.636 4.890 1.700 1.00 0.00 H new ATOM 324 N GLU A 23 6.222 4.211 6.631 1.00 0.00 N ATOM 325 CA GLU A 23 6.239 4.644 8.023 1.00 0.00 C ATOM 326 C GLU A 23 6.082 6.159 8.124 1.00 0.00 C ATOM 327 O GLU A 23 5.161 6.672 8.760 1.00 0.00 O ATOM 328 CB GLU A 23 7.540 4.209 8.700 1.00 0.00 C ATOM 329 CG GLU A 23 7.431 2.882 9.433 1.00 0.00 C ATOM 330 CD GLU A 23 8.553 2.674 10.432 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.178 3.675 10.840 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.804 1.509 10.807 1.00 0.00 O ATOM 0 H GLU A 23 6.941 3.528 6.393 1.00 0.00 H new ATOM 0 HA GLU A 23 5.398 4.174 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.324 4.135 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.848 4.980 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.474 2.836 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.440 2.069 8.708 1.00 0.00 H new ATOM 339 N PRO A 24 7.003 6.893 7.482 1.00 0.00 N ATOM 340 CA PRO A 24 6.989 8.358 7.484 1.00 0.00 C ATOM 341 C PRO A 24 5.830 8.928 6.675 1.00 0.00 C ATOM 342 O PRO A 24 5.597 10.137 6.672 1.00 0.00 O ATOM 343 CB PRO A 24 8.326 8.727 6.835 1.00 0.00 C ATOM 344 CG PRO A 24 8.671 7.552 5.986 1.00 0.00 C ATOM 345 CD PRO A 24 8.129 6.348 6.705 1.00 0.00 C ATOM 0 HA PRO A 24 6.861 8.762 8.488 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.239 9.635 6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.094 8.912 7.587 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.230 7.645 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.749 7.472 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.800 5.578 6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.880 5.894 7.351 1.00 0.00 H new ATOM 353 N TRP A 25 5.105 8.051 5.990 1.00 0.00 N ATOM 354 CA TRP A 25 3.968 8.468 5.177 1.00 0.00 C ATOM 355 C TRP A 25 2.652 8.103 5.854 1.00 0.00 C ATOM 356 O TRP A 25 1.603 8.666 5.538 1.00 0.00 O ATOM 357 CB TRP A 25 4.041 7.822 3.793 1.00 0.00 C ATOM 358 CG TRP A 25 4.795 8.644 2.792 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.303 9.672 2.039 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.174 8.506 2.435 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.294 10.181 1.234 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.451 9.484 1.459 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.203 7.654 2.845 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.713 9.629 0.889 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.454 7.799 2.278 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.702 8.781 1.310 1.00 0.00 C ATOM 0 H TRP A 25 5.284 7.047 5.981 1.00 0.00 H new ATOM 0 HA TRP A 25 4.009 9.552 5.067 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.515 6.845 3.881 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.029 7.653 3.425 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.285 10.032 2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.185 10.953 0.576 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.023 6.895 3.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.905 10.384 0.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.255 7.144 2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.692 8.871 0.888 1.00 0.00 H new ATOM 377 N PHE A 26 2.713 7.158 6.786 1.00 0.00 N ATOM 378 CA PHE A 26 1.524 6.717 7.507 1.00 0.00 C ATOM 379 C PHE A 26 1.786 6.670 9.010 1.00 0.00 C ATOM 380 O PHE A 26 0.952 7.092 9.811 1.00 0.00 O ATOM 381 CB PHE A 26 1.083 5.339 7.011 1.00 0.00 C ATOM 382 CG PHE A 26 0.435 5.368 5.656 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.510 6.332 5.346 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.772 4.431 4.693 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.108 6.362 4.100 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.178 4.457 3.445 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.763 5.422 3.149 1.00 0.00 C ATOM 0 H PHE A 26 3.573 6.683 7.060 1.00 0.00 H new ATOM 0 HA PHE A 26 0.727 7.436 7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.950 4.680 6.976 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.385 4.909 7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.783 7.069 6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.506 3.672 4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.843 7.119 3.871 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.450 3.722 2.702 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.229 5.442 2.175 1.00 0.00 H new ATOM 397 N LYS A 27 2.951 6.152 9.385 1.00 0.00 N ATOM 398 CA LYS A 27 3.325 6.049 10.790 1.00 0.00 C ATOM 399 C LYS A 27 3.750 7.407 11.341 1.00 0.00 C ATOM 400 O LYS A 27 4.522 8.129 10.711 1.00 0.00 O ATOM 401 CB LYS A 27 4.461 5.038 10.964 1.00 0.00 C ATOM 402 CG LYS A 27 4.642 4.567 12.396 1.00 0.00 C ATOM 403 CD LYS A 27 5.946 3.807 12.573 1.00 0.00 C ATOM 404 CE LYS A 27 6.489 3.951 13.986 1.00 0.00 C ATOM 405 NZ LYS A 27 5.853 2.986 14.925 1.00 0.00 N ATOM 0 H LYS A 27 3.652 5.797 8.735 1.00 0.00 H new ATOM 0 HA LYS A 27 2.453 5.707 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.268 4.174 10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.392 5.487 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.627 5.426 13.067 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.806 3.927 12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.787 2.752 12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.683 4.176 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.568 3.793 13.979 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.318 4.968 14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.250 3.116 15.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.827 3.153 14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.038 2.015 14.602 1.00 0.00 H new ATOM 419 N ALA A 28 3.242 7.746 12.522 1.00 0.00 N ATOM 420 CA ALA A 28 3.572 9.015 13.159 1.00 0.00 C ATOM 421 C ALA A 28 5.056 9.334 13.011 1.00 0.00 C ATOM 422 O ALA A 28 5.886 8.452 12.789 1.00 0.00 O ATOM 423 CB ALA A 28 3.180 8.985 14.628 1.00 0.00 C ATOM 0 H ALA A 28 2.601 7.160 13.056 1.00 0.00 H new ATOM 0 HA ALA A 28 3.007 9.802 12.660 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.432 9.939 15.091 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.107 8.812 14.715 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.719 8.183 15.132 1.00 0.00 H new ATOM 429 N PRO A 29 5.400 10.624 13.137 1.00 0.00 N ATOM 430 CA PRO A 29 4.421 11.683 13.401 1.00 0.00 C ATOM 431 C PRO A 29 3.510 11.941 12.206 1.00 0.00 C ATOM 432 O PRO A 29 2.604 12.770 12.272 1.00 0.00 O ATOM 433 CB PRO A 29 5.292 12.909 13.684 1.00 0.00 C ATOM 434 CG PRO A 29 6.571 12.638 12.970 1.00 0.00 C ATOM 435 CD PRO A 29 6.772 11.149 13.030 1.00 0.00 C ATOM 0 HA PRO A 29 3.749 11.422 14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.821 13.822 13.320 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.456 13.040 14.754 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.522 12.984 11.937 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.401 13.163 13.443 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.277 10.775 12.139 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.381 10.860 13.887 1.00 0.00 H new ATOM 443 N ASN A 30 3.756 11.224 11.114 1.00 0.00 N ATOM 444 CA ASN A 30 2.957 11.376 9.904 1.00 0.00 C ATOM 445 C ASN A 30 1.666 10.567 9.999 1.00 0.00 C ATOM 446 O ASN A 30 1.622 9.521 10.645 1.00 0.00 O ATOM 447 CB ASN A 30 3.760 10.933 8.679 1.00 0.00 C ATOM 448 CG ASN A 30 4.812 11.949 8.279 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.638 12.693 7.313 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.912 11.985 9.023 1.00 0.00 N ATOM 0 H ASN A 30 4.502 10.532 11.043 1.00 0.00 H new ATOM 0 HA ASN A 30 2.698 12.430 9.799 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.242 9.979 8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.081 10.769 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.655 12.648 8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.013 11.350 9.814 1.00 0.00 H new ATOM 457 N LYS A 31 0.617 11.060 9.349 1.00 0.00 N ATOM 458 CA LYS A 31 -0.675 10.384 9.357 1.00 0.00 C ATOM 459 C LYS A 31 -1.646 11.054 8.390 1.00 0.00 C ATOM 460 O LYS A 31 -1.368 12.131 7.864 1.00 0.00 O ATOM 461 CB LYS A 31 -1.264 10.384 10.770 1.00 0.00 C ATOM 462 CG LYS A 31 -1.161 11.727 11.472 1.00 0.00 C ATOM 463 CD LYS A 31 -2.295 11.928 12.463 1.00 0.00 C ATOM 464 CE LYS A 31 -3.598 12.272 11.756 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.616 12.810 12.700 1.00 0.00 N ATOM 0 H LYS A 31 0.636 11.926 8.810 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.521 9.355 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.312 10.090 10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.752 9.631 11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.206 11.794 11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.177 12.527 10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.428 11.022 13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.035 12.726 13.158 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.404 13.006 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.992 11.381 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.481 12.236 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.242 12.776 13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.837 13.795 12.449 1.00 0.00 H new ATOM 479 N GLY A 32 -2.786 10.410 8.162 1.00 0.00 N ATOM 480 CA GLY A 32 -3.781 10.959 7.259 1.00 0.00 C ATOM 481 C GLY A 32 -4.515 9.885 6.482 1.00 0.00 C ATOM 482 O GLY A 32 -4.595 8.736 6.918 1.00 0.00 O ATOM 0 H GLY A 32 -3.039 9.518 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.501 11.546 7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.296 11.641 6.561 1.00 0.00 H new ATOM 486 N THR A 33 -5.054 10.258 5.325 1.00 0.00 N ATOM 487 CA THR A 33 -5.788 9.318 4.486 1.00 0.00 C ATOM 488 C THR A 33 -4.982 8.942 3.248 1.00 0.00 C ATOM 489 O THR A 33 -3.941 9.537 2.968 1.00 0.00 O ATOM 490 CB THR A 33 -7.144 9.900 4.045 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.963 11.220 3.519 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.120 9.943 5.211 1.00 0.00 C ATOM 0 H THR A 33 -4.996 11.204 4.948 1.00 0.00 H new ATOM 0 HA THR A 33 -5.962 8.426 5.087 1.00 0.00 H new ATOM 0 HB THR A 33 -7.557 9.254 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.611 11.378 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.070 10.358 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.279 8.933 5.590 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.711 10.569 6.005 1.00 0.00 H new ATOM 500 N PHE A 34 -5.470 7.951 2.509 1.00 0.00 N ATOM 501 CA PHE A 34 -4.794 7.495 1.300 1.00 0.00 C ATOM 502 C PHE A 34 -5.697 6.571 0.488 1.00 0.00 C ATOM 503 O PHE A 34 -6.766 6.170 0.948 1.00 0.00 O ATOM 504 CB PHE A 34 -3.495 6.770 1.658 1.00 0.00 C ATOM 505 CG PHE A 34 -3.701 5.568 2.535 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.281 5.699 3.787 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.315 4.308 2.108 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.472 4.595 4.596 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.504 3.201 2.912 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.083 3.344 4.159 1.00 0.00 C ATOM 0 H PHE A 34 -6.331 7.449 2.726 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.558 8.370 0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.997 6.459 0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.826 7.467 2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.587 6.675 4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.861 4.190 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.925 4.710 5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.200 2.224 2.567 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.231 2.480 4.790 1.00 0.00 H new ATOM 520 N GLN A 35 -5.259 6.238 -0.722 1.00 0.00 N ATOM 521 CA GLN A 35 -6.028 5.363 -1.599 1.00 0.00 C ATOM 522 C GLN A 35 -5.126 4.330 -2.265 1.00 0.00 C ATOM 523 O GLN A 35 -4.267 4.674 -3.078 1.00 0.00 O ATOM 524 CB GLN A 35 -6.755 6.185 -2.664 1.00 0.00 C ATOM 525 CG GLN A 35 -5.851 7.154 -3.408 1.00 0.00 C ATOM 526 CD GLN A 35 -6.569 7.881 -4.528 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.493 9.105 -4.637 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.271 7.129 -5.367 1.00 0.00 N ATOM 0 H GLN A 35 -4.376 6.561 -1.117 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.764 4.837 -0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.216 5.507 -3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.562 6.745 -2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.450 7.884 -2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.002 6.609 -3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.306 6.118 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.775 7.562 -6.140 1.00 0.00 H new ATOM 537 N ILE A 36 -5.325 3.064 -1.914 1.00 0.00 N ATOM 538 CA ILE A 36 -4.529 1.981 -2.479 1.00 0.00 C ATOM 539 C ILE A 36 -5.094 1.525 -3.820 1.00 0.00 C ATOM 540 O ILE A 36 -6.308 1.406 -3.986 1.00 0.00 O ATOM 541 CB ILE A 36 -4.464 0.774 -1.525 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.778 1.168 -0.215 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.731 -0.384 -2.185 1.00 0.00 C ATOM 544 CD1 ILE A 36 -4.123 0.259 0.944 1.00 0.00 C ATOM 0 H ILE A 36 -6.030 2.763 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.522 2.373 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.481 0.453 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.698 1.161 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.058 2.190 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.693 -1.230 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.257 -0.677 -3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.716 -0.076 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.602 0.597 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.199 0.285 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.818 -0.761 0.710 1.00 0.00 H new ATOM 556 N VAL A 37 -4.205 1.271 -4.774 1.00 0.00 N ATOM 557 CA VAL A 37 -4.614 0.825 -6.101 1.00 0.00 C ATOM 558 C VAL A 37 -3.647 -0.217 -6.653 1.00 0.00 C ATOM 559 O VAL A 37 -2.441 0.020 -6.732 1.00 0.00 O ATOM 560 CB VAL A 37 -4.699 2.004 -7.088 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.213 1.533 -8.440 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.585 3.105 -6.526 1.00 0.00 C ATOM 0 H VAL A 37 -3.197 1.366 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.603 0.379 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.698 2.411 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.266 2.380 -9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.535 0.781 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.206 1.100 -8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.634 3.931 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.588 2.713 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.169 3.461 -5.584 1.00 0.00 H new ATOM 572 N TYR A 38 -4.184 -1.370 -7.035 1.00 0.00 N ATOM 573 CA TYR A 38 -3.368 -2.450 -7.578 1.00 0.00 C ATOM 574 C TYR A 38 -3.416 -2.455 -9.103 1.00 0.00 C ATOM 575 O TYR A 38 -4.407 -2.872 -9.704 1.00 0.00 O ATOM 576 CB TYR A 38 -3.845 -3.799 -7.038 1.00 0.00 C ATOM 577 CG TYR A 38 -3.207 -4.986 -7.724 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.011 -5.521 -7.262 1.00 0.00 C ATOM 579 CD2 TYR A 38 -3.802 -5.573 -8.834 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.425 -6.605 -7.886 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.223 -6.658 -9.464 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.034 -7.170 -8.987 1.00 0.00 C ATOM 583 OH TYR A 38 -1.454 -8.250 -9.611 1.00 0.00 O ATOM 0 H TYR A 38 -5.180 -1.581 -6.979 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.337 -2.285 -7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.632 -3.849 -5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.927 -3.864 -7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.531 -5.082 -6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.732 -5.175 -9.211 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.495 -7.008 -7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.699 -7.103 -10.325 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.010 -8.528 -10.368 1.00 0.00 H new ATOM 593 N LYS A 39 -2.338 -1.988 -9.724 1.00 0.00 N ATOM 594 CA LYS A 39 -2.254 -1.939 -11.179 1.00 0.00 C ATOM 595 C LYS A 39 -1.356 -3.052 -11.709 1.00 0.00 C ATOM 596 O LYS A 39 -0.137 -3.013 -11.540 1.00 0.00 O ATOM 597 CB LYS A 39 -1.721 -0.578 -11.634 1.00 0.00 C ATOM 598 CG LYS A 39 -2.717 0.555 -11.458 1.00 0.00 C ATOM 599 CD LYS A 39 -2.080 1.906 -11.737 1.00 0.00 C ATOM 600 CE LYS A 39 -2.932 3.045 -11.200 1.00 0.00 C ATOM 601 NZ LYS A 39 -2.488 4.366 -11.726 1.00 0.00 N ATOM 0 H LYS A 39 -1.510 -1.638 -9.242 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.257 -2.082 -11.582 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.816 -0.345 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.437 -0.641 -12.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.563 0.405 -12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.110 0.540 -10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.091 1.944 -11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.941 2.029 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.974 2.878 -11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.883 3.053 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.094 5.116 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.501 4.537 -11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.558 4.368 -12.764 1.00 0.00 H new ATOM 760 N GLU A 49 -6.582 -8.429 -4.206 1.00 0.00 N ATOM 761 CA GLU A 49 -7.038 -8.072 -2.867 1.00 0.00 C ATOM 762 C GLU A 49 -5.935 -8.303 -1.838 1.00 0.00 C ATOM 763 O GLU A 49 -5.542 -7.385 -1.119 1.00 0.00 O ATOM 764 CB GLU A 49 -8.278 -8.887 -2.493 1.00 0.00 C ATOM 765 CG GLU A 49 -9.515 -8.516 -3.294 1.00 0.00 C ATOM 766 CD GLU A 49 -10.802 -8.886 -2.585 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.991 -10.084 -2.285 1.00 0.00 O ATOM 768 OE2 GLU A 49 -11.621 -7.979 -2.329 1.00 0.00 O ATOM 0 HA GLU A 49 -7.295 -7.013 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.064 -9.946 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.487 -8.748 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.508 -7.444 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.481 -9.017 -4.261 1.00 0.00 H new ATOM 775 N GLU A 50 -5.441 -9.535 -1.774 1.00 0.00 N ATOM 776 CA GLU A 50 -4.385 -9.887 -0.832 1.00 0.00 C ATOM 777 C GLU A 50 -3.406 -8.729 -0.656 1.00 0.00 C ATOM 778 O GLU A 50 -3.059 -8.361 0.466 1.00 0.00 O ATOM 779 CB GLU A 50 -3.637 -11.132 -1.312 1.00 0.00 C ATOM 780 CG GLU A 50 -4.276 -12.436 -0.864 1.00 0.00 C ATOM 781 CD GLU A 50 -5.441 -12.847 -1.744 1.00 0.00 C ATOM 782 OE1 GLU A 50 -6.286 -11.981 -2.052 1.00 0.00 O ATOM 783 OE2 GLU A 50 -5.507 -14.035 -2.125 1.00 0.00 O ATOM 0 H GLU A 50 -5.755 -10.306 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.848 -10.099 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.586 -11.118 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.612 -11.094 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.525 -13.226 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.621 -12.333 0.165 1.00 0.00 H new ATOM 790 N VAL A 51 -2.965 -8.159 -1.773 1.00 0.00 N ATOM 791 CA VAL A 51 -2.027 -7.043 -1.743 1.00 0.00 C ATOM 792 C VAL A 51 -2.694 -5.780 -1.210 1.00 0.00 C ATOM 793 O VAL A 51 -2.198 -5.152 -0.274 1.00 0.00 O ATOM 794 CB VAL A 51 -1.452 -6.756 -3.142 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.529 -5.548 -3.103 1.00 0.00 C ATOM 796 CG2 VAL A 51 -0.720 -7.978 -3.678 1.00 0.00 C ATOM 0 H VAL A 51 -3.242 -8.452 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.214 -7.330 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.279 -6.530 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.132 -5.361 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.087 -4.675 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.295 -5.741 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.320 -7.757 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.098 -8.236 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.413 -8.817 -3.745 1.00 0.00 H new ATOM 806 N ILE A 52 -3.819 -5.412 -1.813 1.00 0.00 N ATOM 807 CA ILE A 52 -4.554 -4.224 -1.398 1.00 0.00 C ATOM 808 C ILE A 52 -5.002 -4.334 0.055 1.00 0.00 C ATOM 809 O ILE A 52 -4.471 -3.651 0.932 1.00 0.00 O ATOM 810 CB ILE A 52 -5.789 -3.987 -2.287 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.359 -3.617 -3.708 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.668 -2.897 -1.693 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.492 -3.646 -4.710 1.00 0.00 C ATOM 0 H ILE A 52 -4.241 -5.919 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.873 -3.379 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.368 -4.909 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.920 -2.620 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.579 -4.305 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.537 -2.741 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.999 -3.198 -0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.099 -1.970 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.114 -3.373 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.917 -4.649 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.263 -2.937 -4.408 1.00 0.00 H new ATOM 825 N ARG A 53 -5.980 -5.198 0.304 1.00 0.00 N ATOM 826 CA ARG A 53 -6.498 -5.398 1.652 1.00 0.00 C ATOM 827 C ARG A 53 -5.387 -5.260 2.688 1.00 0.00 C ATOM 828 O ARG A 53 -5.467 -4.427 3.590 1.00 0.00 O ATOM 829 CB ARG A 53 -7.152 -6.777 1.770 1.00 0.00 C ATOM 830 CG ARG A 53 -8.298 -6.993 0.795 1.00 0.00 C ATOM 831 CD ARG A 53 -9.514 -6.162 1.171 1.00 0.00 C ATOM 832 NE ARG A 53 -10.699 -6.550 0.411 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.927 -6.132 0.699 1.00 0.00 C ATOM 834 NH1 ARG A 53 -12.129 -5.318 1.725 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.955 -6.530 -0.040 1.00 0.00 N ATOM 0 H ARG A 53 -6.430 -5.771 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.247 -4.630 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.395 -7.544 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.522 -6.909 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.974 -6.731 -0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.569 -8.049 0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.714 -6.274 2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.300 -5.108 0.996 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.577 -7.176 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.341 -5.011 2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.072 -4.998 1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.803 -7.157 -0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.897 -6.209 0.182 1.00 0.00 H new ATOM 849 N GLU A 54 -4.352 -6.083 2.551 1.00 0.00 N ATOM 850 CA GLU A 54 -3.225 -6.052 3.477 1.00 0.00 C ATOM 851 C GLU A 54 -2.594 -4.663 3.520 1.00 0.00 C ATOM 852 O GLU A 54 -2.547 -4.023 4.571 1.00 0.00 O ATOM 853 CB GLU A 54 -2.175 -7.089 3.072 1.00 0.00 C ATOM 854 CG GLU A 54 -0.870 -6.965 3.840 1.00 0.00 C ATOM 855 CD GLU A 54 -0.089 -8.265 3.876 1.00 0.00 C ATOM 856 OE1 GLU A 54 -0.638 -9.274 4.367 1.00 0.00 O ATOM 857 OE2 GLU A 54 1.071 -8.272 3.413 1.00 0.00 O ATOM 0 H GLU A 54 -4.270 -6.778 1.809 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.599 -6.293 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.584 -8.087 3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.970 -6.989 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.256 -6.189 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.082 -6.644 4.860 1.00 0.00 H new ATOM 864 N LEU A 55 -2.110 -4.204 2.372 1.00 0.00 N ATOM 865 CA LEU A 55 -1.480 -2.892 2.277 1.00 0.00 C ATOM 866 C LEU A 55 -2.168 -1.890 3.200 1.00 0.00 C ATOM 867 O LEU A 55 -1.511 -1.078 3.850 1.00 0.00 O ATOM 868 CB LEU A 55 -1.525 -2.386 0.834 1.00 0.00 C ATOM 869 CG LEU A 55 -0.352 -2.796 -0.057 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.709 -2.619 -1.525 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.891 -1.990 0.293 1.00 0.00 C ATOM 0 H LEU A 55 -2.142 -4.721 1.493 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.440 -2.992 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.447 -2.742 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.578 -1.297 0.853 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.138 -3.850 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.138 -2.916 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.571 -3.241 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.950 -1.574 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.716 -2.295 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.690 -0.929 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.159 -2.168 1.334 1.00 0.00 H new ATOM 883 N ALA A 56 -3.494 -1.957 3.254 1.00 0.00 N ATOM 884 CA ALA A 56 -4.270 -1.059 4.101 1.00 0.00 C ATOM 885 C ALA A 56 -4.220 -1.501 5.559 1.00 0.00 C ATOM 886 O ALA A 56 -4.001 -0.688 6.457 1.00 0.00 O ATOM 887 CB ALA A 56 -5.711 -0.992 3.617 1.00 0.00 C ATOM 0 H ALA A 56 -4.053 -2.623 2.722 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.829 -0.064 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.279 -0.318 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.734 -0.623 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.154 -1.987 3.654 1.00 0.00 H new ATOM 893 N GLY A 57 -4.426 -2.794 5.789 1.00 0.00 N ATOM 894 CA GLY A 57 -4.401 -3.320 7.142 1.00 0.00 C ATOM 895 C GLY A 57 -3.112 -2.992 7.868 1.00 0.00 C ATOM 896 O GLY A 57 -3.091 -2.891 9.095 1.00 0.00 O ATOM 0 H GLY A 57 -4.610 -3.487 5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.243 -2.914 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.531 -4.402 7.110 1.00 0.00 H new ATOM 900 N ILE A 58 -2.033 -2.828 7.109 1.00 0.00 N ATOM 901 CA ILE A 58 -0.734 -2.510 7.689 1.00 0.00 C ATOM 902 C ILE A 58 -0.642 -1.033 8.057 1.00 0.00 C ATOM 903 O ILE A 58 -0.096 -0.675 9.101 1.00 0.00 O ATOM 904 CB ILE A 58 0.414 -2.859 6.723 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.367 -4.344 6.356 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.756 -2.504 7.344 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.345 -4.729 5.268 1.00 0.00 C ATOM 0 H ILE A 58 -2.033 -2.910 6.092 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.635 -3.113 8.591 1.00 0.00 H new ATOM 0 HB ILE A 58 0.292 -2.274 5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.575 -4.937 7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.642 -4.598 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.557 -2.757 6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.786 -1.436 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.888 -3.065 8.269 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.256 -5.795 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.124 -4.163 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.360 -4.507 5.596 1.00 0.00 H new ATOM 919 N VAL A 59 -1.181 -0.179 7.193 1.00 0.00 N ATOM 920 CA VAL A 59 -1.163 1.260 7.428 1.00 0.00 C ATOM 921 C VAL A 59 -1.764 1.602 8.786 1.00 0.00 C ATOM 922 O VAL A 59 -1.149 2.305 9.589 1.00 0.00 O ATOM 923 CB VAL A 59 -1.936 2.017 6.331 1.00 0.00 C ATOM 924 CG1 VAL A 59 -2.083 3.486 6.699 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.241 1.863 4.987 1.00 0.00 C ATOM 0 H VAL A 59 -1.636 -0.459 6.324 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.119 1.572 7.407 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.934 1.585 6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.631 4.005 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.628 3.573 7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.095 3.934 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.801 2.404 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.231 2.267 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.193 0.807 4.721 1.00 0.00 H new ATOM 935 N CYS A 60 -2.968 1.101 9.038 1.00 0.00 N ATOM 936 CA CYS A 60 -3.654 1.353 10.300 1.00 0.00 C ATOM 937 C CYS A 60 -2.804 0.896 11.481 1.00 0.00 C ATOM 938 O CYS A 60 -2.812 1.517 12.544 1.00 0.00 O ATOM 939 CB CYS A 60 -5.006 0.640 10.322 1.00 0.00 C ATOM 940 SG CYS A 60 -6.171 1.302 11.536 1.00 0.00 S ATOM 0 H CYS A 60 -3.490 0.517 8.384 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.818 2.427 10.388 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.455 0.705 9.331 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.843 -0.418 10.530 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.285 0.635 11.477 1.00 0.00 H new ATOM 946 N THR A 61 -2.072 -0.197 11.289 1.00 0.00 N ATOM 947 CA THR A 61 -1.219 -0.740 12.338 1.00 0.00 C ATOM 948 C THR A 61 -0.192 0.288 12.799 1.00 0.00 C ATOM 949 O THR A 61 0.150 0.352 13.981 1.00 0.00 O ATOM 950 CB THR A 61 -0.482 -2.007 11.864 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.425 -2.969 11.378 1.00 0.00 O ATOM 952 CG2 THR A 61 0.332 -2.615 12.996 1.00 0.00 C ATOM 0 H THR A 61 -2.053 -0.724 10.416 1.00 0.00 H new ATOM 0 HA THR A 61 -1.871 -0.998 13.172 1.00 0.00 H new ATOM 0 HB THR A 61 0.197 -1.726 11.059 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.794 -2.662 10.524 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.843 -3.508 12.637 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.068 -1.891 13.345 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.331 -2.882 13.818 1.00 0.00 H new ATOM 960 N LEU A 62 0.295 1.092 11.861 1.00 0.00 N ATOM 961 CA LEU A 62 1.284 2.119 12.172 1.00 0.00 C ATOM 962 C LEU A 62 0.681 3.205 13.057 1.00 0.00 C ATOM 963 O LEU A 62 1.038 3.334 14.228 1.00 0.00 O ATOM 964 CB LEU A 62 1.826 2.740 10.883 1.00 0.00 C ATOM 965 CG LEU A 62 2.436 1.766 9.874 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.528 2.409 8.499 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.809 1.304 10.342 1.00 0.00 C ATOM 0 H LEU A 62 0.022 1.053 10.879 1.00 0.00 H new ATOM 0 HA LEU A 62 2.103 1.647 12.714 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.014 3.278 10.393 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.583 3.478 11.149 1.00 0.00 H new ATOM 0 HG LEU A 62 1.786 0.894 9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.964 1.701 7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.530 2.689 8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.155 3.299 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.228 0.612 9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.468 2.166 10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.715 0.803 11.305 1.00 0.00 H new ATOM 979 N ASN A 63 -0.237 3.982 12.491 1.00 0.00 N ATOM 980 CA ASN A 63 -0.892 5.055 13.230 1.00 0.00 C ATOM 981 C ASN A 63 -2.410 4.923 13.152 1.00 0.00 C ATOM 982 O ASN A 63 -2.991 4.955 12.067 1.00 0.00 O ATOM 983 CB ASN A 63 -0.458 6.417 12.683 1.00 0.00 C ATOM 984 CG ASN A 63 -0.463 7.496 13.748 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.132 7.368 14.774 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.285 8.567 13.509 1.00 0.00 N ATOM 0 H ASN A 63 -0.544 3.888 11.523 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.593 4.978 14.275 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.543 6.333 12.259 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.124 6.709 11.871 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.321 9.326 14.190 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.823 8.631 12.645 1.00 0.00 H new ATOM 993 N SER A 64 -3.046 4.775 14.309 1.00 0.00 N ATOM 994 CA SER A 64 -4.496 4.635 14.372 1.00 0.00 C ATOM 995 C SER A 64 -5.185 5.809 13.685 1.00 0.00 C ATOM 996 O SER A 64 -6.339 5.708 13.268 1.00 0.00 O ATOM 997 CB SER A 64 -4.957 4.538 15.827 1.00 0.00 C ATOM 998 OG SER A 64 -4.326 3.458 16.492 1.00 0.00 O ATOM 0 H SER A 64 -2.580 4.749 15.216 1.00 0.00 H new ATOM 0 HA SER A 64 -4.771 3.719 13.850 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.732 5.470 16.346 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.039 4.408 15.861 1.00 0.00 H new ATOM 0 HG SER A 64 -4.637 3.419 17.421 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.470 6.924 13.572 1.00 0.00 N ATOM 1005 CA GLU A 65 -5.013 8.119 12.936 1.00 0.00 C ATOM 1006 C GLU A 65 -5.140 7.923 11.428 1.00 0.00 C ATOM 1007 O GLU A 65 -5.914 8.613 10.765 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.125 9.329 13.231 1.00 0.00 C ATOM 1009 CG GLU A 65 -3.918 9.585 14.714 1.00 0.00 C ATOM 1010 CD GLU A 65 -3.692 11.052 15.027 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -4.680 11.815 15.034 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -2.528 11.436 15.265 1.00 0.00 O ATOM 0 H GLU A 65 -3.514 7.025 13.912 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.007 8.298 13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.154 9.181 12.758 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.569 10.215 12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.789 9.230 15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.062 9.007 15.063 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.375 6.977 10.894 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.401 6.690 9.464 1.00 0.00 C ATOM 1021 C ASN A 66 -5.725 6.047 9.062 1.00 0.00 C ATOM 1022 O ASN A 66 -6.231 5.159 9.749 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.238 5.769 9.087 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.898 6.316 9.538 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.636 7.514 9.430 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -1.041 5.438 10.046 1.00 0.00 N ATOM 0 H ASN A 66 -3.730 6.396 11.429 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.298 7.633 8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.396 4.787 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.225 5.629 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.123 5.748 10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.301 4.454 10.117 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.281 6.501 7.944 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.545 5.969 7.448 1.00 0.00 C ATOM 1035 C LYS A 67 -7.603 6.037 5.925 1.00 0.00 C ATOM 1036 O LYS A 67 -7.714 7.117 5.345 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.719 6.746 8.048 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.124 6.263 9.430 1.00 0.00 C ATOM 1039 CD LYS A 67 -9.998 5.023 9.354 1.00 0.00 C ATOM 1040 CE LYS A 67 -11.466 5.385 9.185 1.00 0.00 C ATOM 1041 NZ LYS A 67 -11.824 5.597 7.755 1.00 0.00 N ATOM 0 H LYS A 67 -5.876 7.236 7.364 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.615 4.924 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.454 7.802 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.576 6.667 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.231 6.044 10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.661 7.056 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.677 4.401 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.870 4.430 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.086 4.591 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.685 6.290 9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.811 5.308 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.715 6.603 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.196 5.028 7.152 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.528 4.876 5.282 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.574 4.803 3.827 1.00 0.00 C ATOM 1057 C VAL A 68 -8.909 5.312 3.294 1.00 0.00 C ATOM 1058 O VAL A 68 -9.967 4.782 3.632 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.351 3.363 3.329 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.307 2.404 4.023 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.512 3.290 1.819 1.00 0.00 C ATOM 0 H VAL A 68 -7.435 3.973 5.747 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.770 5.437 3.453 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.332 3.065 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.135 1.391 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.137 2.436 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.335 2.697 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.351 2.265 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.518 3.607 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.783 3.945 1.343 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.851 6.343 2.458 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.055 6.923 1.875 1.00 0.00 C ATOM 1073 C ASP A 69 -9.997 6.881 0.351 1.00 0.00 C ATOM 1074 O ASP A 69 -8.921 6.969 -0.242 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.233 8.366 2.351 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.678 8.821 2.292 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.437 8.281 1.459 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.051 9.716 3.079 1.00 0.00 O ATOM 0 H ASP A 69 -7.983 6.794 2.169 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.909 6.331 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.868 8.456 3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.622 9.026 1.736 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.159 6.745 -0.277 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.241 6.690 -1.732 1.00 0.00 C ATOM 1085 C LEU A 70 -11.970 7.911 -2.283 1.00 0.00 C ATOM 1086 O LEU A 70 -12.194 8.023 -3.489 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.956 5.412 -2.174 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.398 4.103 -1.616 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.305 2.938 -1.980 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.986 3.863 -2.130 1.00 0.00 C ATOM 0 H LEU A 70 -12.058 6.671 0.199 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.226 6.687 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.005 5.488 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.927 5.361 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.359 4.181 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.892 2.015 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.298 3.105 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.377 2.858 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.605 2.927 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.000 3.806 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.341 4.684 -1.818 1.00 0.00 H new ATOM 1102 N THR A 71 -12.337 8.827 -1.392 1.00 0.00 N ATOM 1103 CA THR A 71 -13.039 10.041 -1.789 1.00 0.00 C ATOM 1104 C THR A 71 -12.121 11.256 -1.718 1.00 0.00 C ATOM 1105 O THR A 71 -12.031 12.033 -2.667 1.00 0.00 O ATOM 1106 CB THR A 71 -14.272 10.292 -0.901 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.123 9.140 -0.906 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.051 11.506 -1.386 1.00 0.00 C ATOM 0 H THR A 71 -12.160 8.751 -0.390 1.00 0.00 H new ATOM 0 HA THR A 71 -13.365 9.895 -2.819 1.00 0.00 H new ATOM 0 HB THR A 71 -13.927 10.484 0.115 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.904 9.307 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.917 11.663 -0.743 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.410 12.387 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.385 11.339 -2.410 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.440 11.412 -0.588 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.528 12.534 -0.394 1.00 0.00 C ATOM 1118 C ASN A 72 -9.185 12.055 0.150 1.00 0.00 C ATOM 1119 O ASN A 72 -8.717 12.501 1.198 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.142 13.558 0.562 1.00 0.00 C ATOM 1121 CG ASN A 72 -11.958 14.610 -0.164 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.885 14.733 -1.387 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -12.742 15.373 0.588 1.00 0.00 N ATOM 0 H ASN A 72 -11.502 10.776 0.207 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.361 13.006 -1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.777 13.043 1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.348 14.045 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.316 16.097 0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.771 15.235 1.598 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.550 11.125 -0.578 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.252 10.565 -0.189 1.00 0.00 C ATOM 1132 C PRO A 73 -6.121 11.580 -0.319 1.00 0.00 C ATOM 1133 O PRO A 73 -6.021 12.286 -1.321 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.052 9.413 -1.176 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.864 9.789 -2.367 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.049 10.547 -1.837 1.00 0.00 C ATOM 0 HA PRO A 73 -7.238 10.256 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.000 9.293 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.386 8.466 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.285 10.403 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.182 8.904 -2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.375 11.320 -2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.902 9.891 -1.667 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.271 11.646 0.702 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.148 12.576 0.700 1.00 0.00 C ATOM 1146 C GLN A 74 -2.912 11.935 0.076 1.00 0.00 C ATOM 1147 O GLN A 74 -2.073 12.621 -0.507 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.835 13.032 2.126 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.881 13.969 2.709 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.628 15.420 2.353 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -4.796 15.829 1.204 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -4.220 16.209 3.341 1.00 0.00 N ATOM 0 H GLN A 74 -5.339 11.067 1.539 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.427 13.443 0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.747 12.155 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.866 13.532 2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.867 13.677 2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.895 13.862 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.094 15.828 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.033 17.196 3.162 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.808 10.617 0.203 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.673 9.884 -0.346 1.00 0.00 C ATOM 1163 C TYR A 75 -2.144 8.716 -1.208 1.00 0.00 C ATOM 1164 O TYR A 75 -3.048 7.972 -0.826 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.776 9.371 0.781 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.319 10.454 1.732 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.765 11.267 1.421 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.971 10.666 2.940 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.187 12.257 2.287 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.557 11.655 3.811 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.522 12.448 3.480 1.00 0.00 C ATOM 1172 OH TYR A 75 0.939 13.434 4.345 1.00 0.00 O ATOM 0 H TYR A 75 -3.495 10.034 0.681 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.101 10.568 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.314 8.608 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.099 8.888 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.286 11.122 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.816 10.047 3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.033 12.878 2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.075 11.807 4.746 1.00 0.00 H new ATOM 0 HH TYR A 75 0.364 13.438 5.139 1.00 0.00 H new ATOM 1182 N THR A 76 -1.525 8.562 -2.374 1.00 0.00 N ATOM 1183 CA THR A 76 -1.879 7.487 -3.291 1.00 0.00 C ATOM 1184 C THR A 76 -0.806 6.404 -3.310 1.00 0.00 C ATOM 1185 O THR A 76 0.312 6.631 -3.772 1.00 0.00 O ATOM 1186 CB THR A 76 -2.085 8.015 -4.724 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.157 8.963 -4.747 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.389 6.874 -5.683 1.00 0.00 C ATOM 0 H THR A 76 -0.775 9.169 -2.705 1.00 0.00 H new ATOM 0 HA THR A 76 -2.815 7.061 -2.931 1.00 0.00 H new ATOM 0 HB THR A 76 -1.164 8.501 -5.044 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.281 9.295 -5.661 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.531 7.271 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.558 6.169 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.297 6.363 -5.364 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.154 5.224 -2.805 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.221 4.105 -2.765 1.00 0.00 C ATOM 1198 C VAL A 77 -0.631 3.012 -3.746 1.00 0.00 C ATOM 1199 O VAL A 77 -1.523 2.212 -3.464 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.128 3.501 -1.351 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.852 4.291 -0.497 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.502 3.458 -0.700 1.00 0.00 C ATOM 0 H VAL A 77 -2.075 5.019 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 77 0.755 4.497 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 77 0.242 2.479 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.905 3.850 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.839 4.265 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.515 5.325 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.418 3.029 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.902 4.469 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.172 2.845 -1.304 1.00 0.00 H new ATOM 1212 N VAL A 78 0.027 2.984 -4.901 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.268 1.989 -5.925 1.00 0.00 C ATOM 1214 C VAL A 78 0.811 0.912 -5.971 1.00 0.00 C ATOM 1215 O VAL A 78 1.984 1.181 -5.710 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.392 2.635 -7.317 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.436 3.742 -7.301 1.00 0.00 C ATOM 1218 CG2 VAL A 78 0.955 3.169 -7.779 1.00 0.00 C ATOM 0 H VAL A 78 0.768 3.639 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.222 1.534 -5.658 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.716 1.872 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.510 4.187 -8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.403 3.326 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.144 4.507 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.848 3.622 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.311 3.918 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.672 2.350 -7.832 1.00 0.00 H new ATOM 1228 N VAL A 79 0.406 -0.309 -6.305 1.00 0.00 N ATOM 1229 CA VAL A 79 1.338 -1.427 -6.388 1.00 0.00 C ATOM 1230 C VAL A 79 1.369 -2.015 -7.794 1.00 0.00 C ATOM 1231 O VAL A 79 0.475 -2.765 -8.183 1.00 0.00 O ATOM 1232 CB VAL A 79 0.971 -2.539 -5.387 1.00 0.00 C ATOM 1233 CG1 VAL A 79 -0.539 -2.699 -5.296 1.00 0.00 C ATOM 1234 CG2 VAL A 79 1.631 -3.851 -5.783 1.00 0.00 C ATOM 0 H VAL A 79 -0.561 -0.549 -6.522 1.00 0.00 H new ATOM 0 HA VAL A 79 2.324 -1.035 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 79 1.342 -2.254 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.779 -3.489 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.985 -1.762 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.937 -2.961 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.361 -4.625 -5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.292 -4.143 -6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.714 -3.726 -5.791 1.00 0.00 H new ATOM 1244 N GLU A 80 2.405 -1.668 -8.552 1.00 0.00 N ATOM 1245 CA GLU A 80 2.551 -2.161 -9.916 1.00 0.00 C ATOM 1246 C GLU A 80 3.365 -3.452 -9.944 1.00 0.00 C ATOM 1247 O GLU A 80 4.245 -3.661 -9.108 1.00 0.00 O ATOM 1248 CB GLU A 80 3.222 -1.104 -10.796 1.00 0.00 C ATOM 1249 CG GLU A 80 3.472 -1.566 -12.221 1.00 0.00 C ATOM 1250 CD GLU A 80 4.087 -0.484 -13.086 1.00 0.00 C ATOM 1251 OE1 GLU A 80 4.851 0.345 -12.548 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.804 -0.465 -14.303 1.00 0.00 O ATOM 0 H GLU A 80 3.154 -1.048 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 80 1.555 -2.370 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.597 -0.211 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.172 -0.817 -10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.132 -2.433 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.530 -1.889 -12.665 1.00 0.00 H new ATOM 1259 N ILE A 81 3.065 -4.313 -10.910 1.00 0.00 N ATOM 1260 CA ILE A 81 3.768 -5.582 -11.047 1.00 0.00 C ATOM 1261 C ILE A 81 4.559 -5.635 -12.349 1.00 0.00 C ATOM 1262 O ILE A 81 3.983 -5.649 -13.437 1.00 0.00 O ATOM 1263 CB ILE A 81 2.793 -6.774 -11.003 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.863 -6.655 -9.794 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.562 -8.086 -10.960 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.523 -7.025 -8.485 1.00 0.00 C ATOM 0 H ILE A 81 2.340 -4.155 -11.609 1.00 0.00 H new ATOM 0 HA ILE A 81 4.455 -5.654 -10.204 1.00 0.00 H new ATOM 0 HB ILE A 81 2.185 -6.762 -11.908 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.494 -5.631 -9.729 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.996 -7.297 -9.948 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.859 -8.919 -10.929 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.187 -8.171 -11.849 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.192 -8.110 -10.071 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.805 -6.917 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.867 -8.058 -8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.373 -6.367 -8.307 1.00 0.00 H new ATOM 1356 N CYS A 87 6.136 -2.768 -7.066 1.00 0.00 N ATOM 1357 CA CYS A 87 6.542 -1.375 -7.213 1.00 0.00 C ATOM 1358 C CYS A 87 5.538 -0.443 -6.542 1.00 0.00 C ATOM 1359 O CYS A 87 4.493 -0.124 -7.111 1.00 0.00 O ATOM 1360 CB CYS A 87 6.678 -1.015 -8.694 1.00 0.00 C ATOM 1361 SG CYS A 87 8.215 -1.589 -9.454 1.00 0.00 S ATOM 0 HA CYS A 87 7.509 -1.251 -6.726 1.00 0.00 H new ATOM 0 HB2 CYS A 87 5.835 -1.439 -9.239 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.614 0.068 -8.801 1.00 0.00 H new ATOM 0 HG CYS A 87 8.237 -1.239 -10.706 1.00 0.00 H new ATOM 1367 N LEU A 88 5.861 -0.011 -5.328 1.00 0.00 N ATOM 1368 CA LEU A 88 4.988 0.884 -4.577 1.00 0.00 C ATOM 1369 C LEU A 88 5.277 2.342 -4.919 1.00 0.00 C ATOM 1370 O LEU A 88 6.383 2.835 -4.696 1.00 0.00 O ATOM 1371 CB LEU A 88 5.163 0.656 -3.074 1.00 0.00 C ATOM 1372 CG LEU A 88 4.316 -0.459 -2.461 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.025 -1.799 -2.588 1.00 0.00 C ATOM 1374 CD2 LEU A 88 4.006 -0.154 -1.003 1.00 0.00 C ATOM 0 H LEU A 88 6.721 -0.266 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 88 3.957 0.663 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.213 0.436 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.932 1.587 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 88 3.375 -0.516 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.407 -2.581 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.195 -2.022 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.982 -1.755 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.402 -0.959 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.937 -0.069 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.456 0.785 -0.937 1.00 0.00 H new ATOM 1386 N SER A 89 4.275 3.027 -5.460 1.00 0.00 N ATOM 1387 CA SER A 89 4.422 4.429 -5.834 1.00 0.00 C ATOM 1388 C SER A 89 3.550 5.321 -4.956 1.00 0.00 C ATOM 1389 O SER A 89 2.330 5.159 -4.903 1.00 0.00 O ATOM 1390 CB SER A 89 4.053 4.627 -7.306 1.00 0.00 C ATOM 1391 OG SER A 89 3.779 5.989 -7.584 1.00 0.00 O ATOM 0 H SER A 89 3.353 2.634 -5.649 1.00 0.00 H new ATOM 0 HA SER A 89 5.464 4.711 -5.686 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.870 4.281 -7.939 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.181 4.020 -7.550 1.00 0.00 H new ATOM 0 HG SER A 89 3.547 6.089 -8.531 1.00 0.00 H new ATOM 1397 N VAL A 90 4.184 6.263 -4.266 1.00 0.00 N ATOM 1398 CA VAL A 90 3.468 7.182 -3.389 1.00 0.00 C ATOM 1399 C VAL A 90 3.382 8.574 -4.005 1.00 0.00 C ATOM 1400 O VAL A 90 4.401 9.205 -4.286 1.00 0.00 O ATOM 1401 CB VAL A 90 4.144 7.284 -2.009 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.268 8.064 -1.041 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.452 5.898 -1.464 1.00 0.00 C ATOM 0 H VAL A 90 5.193 6.410 -4.297 1.00 0.00 H new ATOM 0 HA VAL A 90 2.463 6.780 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 90 5.085 7.822 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.762 8.125 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.103 9.069 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.310 7.557 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.929 5.989 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.526 5.332 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.122 5.378 -2.149 1.00 0.00 H new ATOM 1413 N VAL A 91 2.158 9.050 -4.212 1.00 0.00 N ATOM 1414 CA VAL A 91 1.938 10.369 -4.793 1.00 0.00 C ATOM 1415 C VAL A 91 1.039 11.219 -3.902 1.00 0.00 C ATOM 1416 O VAL A 91 -0.059 10.803 -3.531 1.00 0.00 O ATOM 1417 CB VAL A 91 1.305 10.267 -6.193 1.00 0.00 C ATOM 1418 CG1 VAL A 91 1.034 11.652 -6.759 1.00 0.00 C ATOM 1419 CG2 VAL A 91 2.203 9.467 -7.126 1.00 0.00 C ATOM 0 H VAL A 91 1.303 8.541 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 91 2.915 10.844 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 91 0.353 9.744 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.587 11.559 -7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.350 12.187 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.971 12.204 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.741 9.405 -8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.171 9.960 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.341 8.463 -6.726 1.00 0.00 H new ATOM 1429 N LYS A 92 1.512 12.413 -3.561 1.00 0.00 N ATOM 1430 CA LYS A 92 0.751 13.325 -2.715 1.00 0.00 C ATOM 1431 C LYS A 92 -0.150 14.223 -3.556 1.00 0.00 C ATOM 1432 O LYS A 92 0.330 15.063 -4.317 1.00 0.00 O ATOM 1433 CB LYS A 92 1.699 14.181 -1.872 1.00 0.00 C ATOM 1434 CG LYS A 92 1.087 14.661 -0.567 1.00 0.00 C ATOM 1435 CD LYS A 92 2.041 15.563 0.197 1.00 0.00 C ATOM 1436 CE LYS A 92 2.090 16.959 -0.404 1.00 0.00 C ATOM 1437 NZ LYS A 92 2.972 17.870 0.378 1.00 0.00 N ATOM 0 H LYS A 92 2.419 12.772 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 92 0.123 12.729 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.597 13.604 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.011 15.046 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.162 15.200 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.824 13.802 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.728 15.625 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.040 15.127 0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.449 16.899 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.083 17.373 -0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.978 18.811 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.615 17.947 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.939 17.488 0.393 1.00 0.00 H new