USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 653 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 18 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 95:sc= 0.0523 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.558 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.119) USER MOD Single : A 74 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.28) USER MOD Single : A 79 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.3) USER MOD Single : A 83 HIS : no HE2:sc= -0.392 K(o=-0.39,f=-1.3) USER MOD Single : A 84 HIS : no HD1:sc= -5.49! C(o=-5.5!,f=-9.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0493! USER MOD Single : A 98 GLN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 99 MET CE :methyl -166:sc= -4.39 (180deg=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.319 -6.455 -16.419 1.00 0.00 N ATOM 149 CA GLU A 13 -7.410 -6.803 -15.339 1.00 0.00 C ATOM 150 C GLU A 13 -6.601 -5.577 -14.912 1.00 0.00 C ATOM 151 O GLU A 13 -6.147 -4.804 -15.754 1.00 0.00 O ATOM 152 CB GLU A 13 -6.489 -7.953 -15.748 1.00 0.00 C ATOM 153 CG GLU A 13 -5.347 -7.453 -16.635 1.00 0.00 C ATOM 154 CD GLU A 13 -4.508 -8.620 -17.160 1.00 0.00 C ATOM 155 OE1 GLU A 13 -5.048 -9.376 -17.997 1.00 0.00 O ATOM 156 OE2 GLU A 13 -3.347 -8.731 -16.712 1.00 0.00 O ATOM 0 HA GLU A 13 -8.000 -7.140 -14.487 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.080 -8.430 -14.857 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.063 -8.711 -16.281 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.754 -6.887 -17.473 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.713 -6.771 -16.068 1.00 0.00 H new ATOM 163 N GLU A 14 -6.445 -5.437 -13.604 1.00 0.00 N ATOM 164 CA GLU A 14 -5.698 -4.318 -13.055 1.00 0.00 C ATOM 165 C GLU A 14 -4.477 -4.015 -13.927 1.00 0.00 C ATOM 166 O GLU A 14 -3.961 -4.901 -14.607 1.00 0.00 O ATOM 167 CB GLU A 14 -5.283 -4.593 -11.608 1.00 0.00 C ATOM 168 CG GLU A 14 -6.380 -4.162 -10.632 1.00 0.00 C ATOM 169 CD GLU A 14 -6.244 -4.896 -9.296 1.00 0.00 C ATOM 170 OE1 GLU A 14 -5.268 -4.590 -8.577 1.00 0.00 O ATOM 171 OE2 GLU A 14 -7.119 -5.746 -9.023 1.00 0.00 O ATOM 0 H GLU A 14 -6.823 -6.080 -12.908 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.345 -3.441 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.075 -5.655 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.360 -4.059 -11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.323 -3.086 -10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.359 -4.367 -11.066 1.00 0.00 H new ATOM 178 N GLU A 15 -4.052 -2.762 -13.878 1.00 0.00 N ATOM 179 CA GLU A 15 -2.902 -2.331 -14.655 1.00 0.00 C ATOM 180 C GLU A 15 -1.818 -1.770 -13.733 1.00 0.00 C ATOM 181 O GLU A 15 -2.080 -1.479 -12.566 1.00 0.00 O ATOM 182 CB GLU A 15 -3.309 -1.303 -15.712 1.00 0.00 C ATOM 183 CG GLU A 15 -3.282 0.115 -15.138 1.00 0.00 C ATOM 184 CD GLU A 15 -3.698 1.142 -16.192 1.00 0.00 C ATOM 185 OE1 GLU A 15 -3.033 1.170 -17.250 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.672 1.876 -15.916 1.00 0.00 O ATOM 0 H GLU A 15 -4.483 -2.031 -13.312 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.495 -3.197 -15.176 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.633 -1.367 -16.565 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.309 -1.531 -16.080 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.952 0.177 -14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.280 0.346 -14.776 1.00 0.00 H new ATOM 193 N GLU A 16 -0.624 -1.633 -14.290 1.00 0.00 N ATOM 194 CA GLU A 16 0.501 -1.112 -13.532 1.00 0.00 C ATOM 195 C GLU A 16 0.510 0.417 -13.580 1.00 0.00 C ATOM 196 O GLU A 16 0.291 1.010 -14.636 1.00 0.00 O ATOM 197 CB GLU A 16 1.822 -1.684 -14.048 1.00 0.00 C ATOM 198 CG GLU A 16 2.049 -3.102 -13.518 1.00 0.00 C ATOM 199 CD GLU A 16 2.510 -4.038 -14.637 1.00 0.00 C ATOM 200 OE1 GLU A 16 1.680 -4.303 -15.533 1.00 0.00 O ATOM 201 OE2 GLU A 16 3.682 -4.467 -14.571 1.00 0.00 O ATOM 0 H GLU A 16 -0.411 -1.874 -15.258 1.00 0.00 H new ATOM 0 HA GLU A 16 0.390 -1.423 -12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.816 -1.696 -15.138 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.646 -1.040 -13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.796 -3.082 -12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.127 -3.482 -13.078 1.00 0.00 H new ATOM 208 N LEU A 17 0.765 1.013 -12.424 1.00 0.00 N ATOM 209 CA LEU A 17 0.806 2.462 -12.322 1.00 0.00 C ATOM 210 C LEU A 17 2.038 2.877 -11.516 1.00 0.00 C ATOM 211 O LEU A 17 2.663 2.047 -10.858 1.00 0.00 O ATOM 212 CB LEU A 17 -0.510 2.995 -11.751 1.00 0.00 C ATOM 213 CG LEU A 17 -1.763 2.183 -12.083 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.851 2.399 -11.030 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.262 2.497 -13.495 1.00 0.00 C ATOM 0 H LEU A 17 0.945 0.519 -11.550 1.00 0.00 H new ATOM 0 HA LEU A 17 0.904 2.912 -13.310 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.416 3.053 -10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.654 4.013 -12.113 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.500 1.125 -12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.731 1.810 -11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.480 2.086 -10.054 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.118 3.455 -10.995 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.154 1.906 -13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.504 3.557 -13.568 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.485 2.251 -14.219 1.00 0.00 H new ATOM 227 N THR A 18 2.352 4.162 -11.596 1.00 0.00 N ATOM 228 CA THR A 18 3.499 4.698 -10.882 1.00 0.00 C ATOM 229 C THR A 18 3.127 6.004 -10.179 1.00 0.00 C ATOM 230 O THR A 18 2.922 7.028 -10.830 1.00 0.00 O ATOM 231 CB THR A 18 4.647 4.851 -11.881 1.00 0.00 C ATOM 232 OG1 THR A 18 4.501 3.734 -12.753 1.00 0.00 O ATOM 233 CG2 THR A 18 6.018 4.642 -11.234 1.00 0.00 C ATOM 0 H THR A 18 1.832 4.847 -12.144 1.00 0.00 H new ATOM 0 HA THR A 18 3.824 4.022 -10.091 1.00 0.00 H new ATOM 0 HB THR A 18 4.605 5.843 -12.332 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.205 3.756 -13.434 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.797 4.762 -11.986 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.162 5.377 -10.442 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.072 3.638 -10.812 1.00 0.00 H new ATOM 241 N LEU A 19 3.050 5.927 -8.858 1.00 0.00 N ATOM 242 CA LEU A 19 2.706 7.091 -8.059 1.00 0.00 C ATOM 243 C LEU A 19 3.989 7.755 -7.554 1.00 0.00 C ATOM 244 O LEU A 19 5.045 7.125 -7.517 1.00 0.00 O ATOM 245 CB LEU A 19 1.732 6.706 -6.944 1.00 0.00 C ATOM 246 CG LEU A 19 0.827 7.826 -6.427 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.355 8.055 -7.371 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.371 7.546 -4.994 1.00 0.00 C ATOM 0 H LEU A 19 3.220 5.076 -8.321 1.00 0.00 H new ATOM 0 HA LEU A 19 2.183 7.829 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.101 5.893 -7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.308 6.315 -6.105 1.00 0.00 H new ATOM 0 HG LEU A 19 1.405 8.750 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.983 8.856 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.016 8.333 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.942 7.140 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.271 8.358 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.184 6.608 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.242 7.473 -4.343 1.00 0.00 H new ATOM 260 N THR A 20 3.855 9.018 -7.178 1.00 0.00 N ATOM 261 CA THR A 20 4.990 9.774 -6.677 1.00 0.00 C ATOM 262 C THR A 20 4.588 10.583 -5.442 1.00 0.00 C ATOM 263 O THR A 20 3.541 11.227 -5.431 1.00 0.00 O ATOM 264 CB THR A 20 5.526 10.637 -7.821 1.00 0.00 C ATOM 265 OG1 THR A 20 5.553 9.754 -8.938 1.00 0.00 O ATOM 266 CG2 THR A 20 6.990 11.031 -7.621 1.00 0.00 C ATOM 0 H THR A 20 2.978 9.537 -7.210 1.00 0.00 H new ATOM 0 HA THR A 20 5.791 9.113 -6.347 1.00 0.00 H new ATOM 0 HB THR A 20 4.918 11.537 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.887 10.233 -9.725 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.320 11.642 -8.461 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.091 11.600 -6.696 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.604 10.132 -7.563 1.00 0.00 H new ATOM 274 N ILE A 21 5.443 10.523 -4.431 1.00 0.00 N ATOM 275 CA ILE A 21 5.191 11.242 -3.194 1.00 0.00 C ATOM 276 C ILE A 21 6.418 12.085 -2.839 1.00 0.00 C ATOM 277 O ILE A 21 7.540 11.738 -3.205 1.00 0.00 O ATOM 278 CB ILE A 21 4.769 10.274 -2.088 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.620 9.377 -2.553 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.423 11.027 -0.801 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.671 8.015 -1.857 1.00 0.00 C ATOM 0 H ILE A 21 6.311 9.987 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 21 4.356 11.931 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 21 5.615 9.624 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.667 9.862 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.675 9.240 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.126 10.315 -0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.295 11.586 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.601 11.717 -0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.843 7.397 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.615 7.522 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.591 8.154 -0.779 1.00 0.00 H new ATOM 293 N LEU A 22 6.163 13.175 -2.131 1.00 0.00 N ATOM 294 CA LEU A 22 7.233 14.069 -1.722 1.00 0.00 C ATOM 295 C LEU A 22 7.602 13.784 -0.265 1.00 0.00 C ATOM 296 O LEU A 22 6.818 14.058 0.642 1.00 0.00 O ATOM 297 CB LEU A 22 6.843 15.525 -1.984 1.00 0.00 C ATOM 298 CG LEU A 22 6.960 16.000 -3.434 1.00 0.00 C ATOM 299 CD1 LEU A 22 8.217 16.850 -3.633 1.00 0.00 C ATOM 300 CD2 LEU A 22 6.908 14.818 -4.404 1.00 0.00 C ATOM 0 H LEU A 22 5.231 13.460 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 22 8.128 13.890 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.813 15.669 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.467 16.165 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 22 6.103 16.636 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.276 17.175 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.173 17.723 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.099 16.258 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.993 15.183 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.732 14.137 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.962 14.291 -4.285 1.00 0.00 H new ATOM 312 N ARG A 23 8.795 13.237 -0.086 1.00 0.00 N ATOM 313 CA ARG A 23 9.277 12.912 1.245 1.00 0.00 C ATOM 314 C ARG A 23 10.063 14.088 1.827 1.00 0.00 C ATOM 315 O ARG A 23 11.059 14.521 1.249 1.00 0.00 O ATOM 316 CB ARG A 23 10.174 11.672 1.219 1.00 0.00 C ATOM 317 CG ARG A 23 11.003 11.567 2.500 1.00 0.00 C ATOM 318 CD ARG A 23 11.857 10.298 2.499 1.00 0.00 C ATOM 319 NE ARG A 23 12.702 10.255 3.713 1.00 0.00 N ATOM 320 CZ ARG A 23 13.211 9.130 4.234 1.00 0.00 C ATOM 321 NH1 ARG A 23 12.964 7.950 3.651 1.00 0.00 N ATOM 322 NH2 ARG A 23 13.968 9.187 5.339 1.00 0.00 N ATOM 0 H ARG A 23 9.442 13.011 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 23 8.408 12.706 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.561 10.778 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.837 11.717 0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.646 12.442 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.341 11.563 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.215 9.418 2.462 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.485 10.273 1.608 1.00 0.00 H new ATOM 0 HE ARG A 23 12.910 11.136 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.388 7.907 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.352 7.094 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.156 10.086 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.356 8.331 5.736 1.00 0.00 H new ATOM 381 N LEU A 28 5.886 8.558 4.975 1.00 0.00 N ATOM 382 CA LEU A 28 4.673 8.873 4.239 1.00 0.00 C ATOM 383 C LEU A 28 3.477 8.825 5.191 1.00 0.00 C ATOM 384 O LEU A 28 3.647 8.849 6.409 1.00 0.00 O ATOM 385 CB LEU A 28 4.530 7.954 3.024 1.00 0.00 C ATOM 386 CG LEU A 28 5.768 7.819 2.135 1.00 0.00 C ATOM 387 CD1 LEU A 28 5.612 6.659 1.150 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.078 9.138 1.424 1.00 0.00 C ATOM 0 HA LEU A 28 4.722 9.886 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.250 6.961 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.706 8.320 2.412 1.00 0.00 H new ATOM 0 HG LEU A 28 6.622 7.588 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.506 6.585 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.475 5.729 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.744 6.835 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.962 9.015 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.230 9.424 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.263 9.916 2.165 1.00 0.00 H new ATOM 400 N GLY A 29 2.293 8.758 4.600 1.00 0.00 N ATOM 401 CA GLY A 29 1.068 8.706 5.380 1.00 0.00 C ATOM 402 C GLY A 29 0.099 7.667 4.812 1.00 0.00 C ATOM 403 O GLY A 29 -1.033 7.996 4.462 1.00 0.00 O ATOM 0 H GLY A 29 2.156 8.739 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.303 8.461 6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.593 9.687 5.384 1.00 0.00 H new ATOM 407 N ILE A 30 0.580 6.435 4.737 1.00 0.00 N ATOM 408 CA ILE A 30 -0.229 5.346 4.217 1.00 0.00 C ATOM 409 C ILE A 30 0.072 4.070 5.005 1.00 0.00 C ATOM 410 O ILE A 30 1.226 3.796 5.331 1.00 0.00 O ATOM 411 CB ILE A 30 -0.024 5.199 2.708 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.465 5.179 2.356 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.778 6.289 1.943 1.00 0.00 C ATOM 414 CD1 ILE A 30 1.786 4.029 1.399 1.00 0.00 C ATOM 0 H ILE A 30 1.520 6.167 5.028 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.289 5.562 4.352 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.441 4.241 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.747 6.127 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.056 5.076 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.615 6.161 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.844 6.215 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.413 7.269 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.850 4.037 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.525 3.081 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.211 4.149 0.481 1.00 0.00 H new ATOM 426 N SER A 31 -0.985 3.324 5.289 1.00 0.00 N ATOM 427 CA SER A 31 -0.848 2.084 6.033 1.00 0.00 C ATOM 428 C SER A 31 -0.784 0.898 5.068 1.00 0.00 C ATOM 429 O SER A 31 -1.517 0.858 4.080 1.00 0.00 O ATOM 430 CB SER A 31 -2.003 1.903 7.020 1.00 0.00 C ATOM 431 OG SER A 31 -1.567 1.991 8.374 1.00 0.00 O ATOM 0 H SER A 31 -1.941 3.555 5.017 1.00 0.00 H new ATOM 0 HA SER A 31 0.079 2.129 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.762 2.663 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.474 0.934 6.853 1.00 0.00 H new ATOM 0 HG SER A 31 -2.334 1.872 8.973 1.00 0.00 H new ATOM 437 N ILE A 32 0.098 -0.037 5.387 1.00 0.00 N ATOM 438 CA ILE A 32 0.267 -1.220 4.560 1.00 0.00 C ATOM 439 C ILE A 32 -0.200 -2.452 5.338 1.00 0.00 C ATOM 440 O ILE A 32 -0.244 -2.434 6.567 1.00 0.00 O ATOM 441 CB ILE A 32 1.708 -1.321 4.056 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.684 -1.503 5.220 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.070 -0.115 3.187 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.007 -2.101 4.737 1.00 0.00 C ATOM 0 H ILE A 32 0.704 0.000 6.207 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.354 -1.152 3.667 1.00 0.00 H new ATOM 0 HB ILE A 32 1.789 -2.207 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.869 -0.541 5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.240 -2.154 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.099 -0.211 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.401 -0.072 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.968 0.799 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.683 -2.220 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.822 -3.074 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.460 -1.436 4.002 1.00 0.00 H new ATOM 456 N ALA A 33 -0.538 -3.492 4.590 1.00 0.00 N ATOM 457 CA ALA A 33 -1.000 -4.730 5.194 1.00 0.00 C ATOM 458 C ALA A 33 -0.713 -5.894 4.244 1.00 0.00 C ATOM 459 O ALA A 33 -1.037 -5.827 3.059 1.00 0.00 O ATOM 460 CB ALA A 33 -2.486 -4.608 5.535 1.00 0.00 C ATOM 0 H ALA A 33 -0.501 -3.503 3.571 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.467 -4.925 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.833 -5.537 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.632 -3.786 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.053 -4.414 4.625 1.00 0.00 H new ATOM 466 N GLY A 34 -0.109 -6.934 4.799 1.00 0.00 N ATOM 467 CA GLY A 34 0.225 -8.112 4.016 1.00 0.00 C ATOM 468 C GLY A 34 1.731 -8.380 4.044 1.00 0.00 C ATOM 469 O GLY A 34 2.405 -8.054 5.020 1.00 0.00 O ATOM 0 H GLY A 34 0.158 -6.986 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.309 -8.977 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.104 -7.974 2.986 1.00 0.00 H new ATOM 473 N GLY A 35 2.215 -8.972 2.962 1.00 0.00 N ATOM 474 CA GLY A 35 3.629 -9.288 2.850 1.00 0.00 C ATOM 475 C GLY A 35 3.858 -10.800 2.898 1.00 0.00 C ATOM 476 O GLY A 35 3.003 -11.546 3.372 1.00 0.00 O ATOM 0 H GLY A 35 1.653 -9.241 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.022 -8.886 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.178 -8.807 3.660 1.00 0.00 H new ATOM 480 N LYS A 36 5.017 -11.206 2.402 1.00 0.00 N ATOM 481 CA LYS A 36 5.370 -12.616 2.382 1.00 0.00 C ATOM 482 C LYS A 36 5.436 -13.140 3.818 1.00 0.00 C ATOM 483 O LYS A 36 5.837 -12.417 4.729 1.00 0.00 O ATOM 484 CB LYS A 36 6.659 -12.835 1.588 1.00 0.00 C ATOM 485 CG LYS A 36 6.813 -14.303 1.186 1.00 0.00 C ATOM 486 CD LYS A 36 8.282 -14.730 1.221 1.00 0.00 C ATOM 487 CE LYS A 36 8.941 -14.537 -0.146 1.00 0.00 C ATOM 488 NZ LYS A 36 9.815 -15.688 -0.467 1.00 0.00 N ATOM 0 H LYS A 36 5.724 -10.584 2.011 1.00 0.00 H new ATOM 0 HA LYS A 36 4.603 -13.193 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.651 -12.209 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.516 -12.526 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.232 -14.931 1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.411 -14.454 0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.816 -14.148 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.354 -15.776 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.175 -14.429 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.526 -13.617 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.255 -15.541 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.557 -15.773 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.248 -16.560 -0.485 1.00 0.00 H new ATOM 502 N GLY A 37 5.037 -14.394 3.975 1.00 0.00 N ATOM 503 CA GLY A 37 5.046 -15.024 5.285 1.00 0.00 C ATOM 504 C GLY A 37 3.783 -14.669 6.073 1.00 0.00 C ATOM 505 O GLY A 37 3.016 -15.551 6.453 1.00 0.00 O ATOM 0 H GLY A 37 4.705 -14.991 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.116 -16.106 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.928 -14.704 5.840 1.00 0.00 H new ATOM 509 N SER A 38 3.607 -13.374 6.294 1.00 0.00 N ATOM 510 CA SER A 38 2.450 -12.892 7.030 1.00 0.00 C ATOM 511 C SER A 38 1.178 -13.119 6.212 1.00 0.00 C ATOM 512 O SER A 38 1.246 -13.485 5.039 1.00 0.00 O ATOM 513 CB SER A 38 2.599 -11.410 7.379 1.00 0.00 C ATOM 514 OG SER A 38 2.070 -11.109 8.668 1.00 0.00 O ATOM 0 H SER A 38 4.245 -12.645 5.977 1.00 0.00 H new ATOM 0 HA SER A 38 2.379 -13.452 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.653 -11.134 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.088 -10.808 6.628 1.00 0.00 H new ATOM 0 HG SER A 38 2.186 -10.154 8.854 1.00 0.00 H new ATOM 520 N THR A 39 0.046 -12.893 6.862 1.00 0.00 N ATOM 521 CA THR A 39 -1.240 -13.069 6.210 1.00 0.00 C ATOM 522 C THR A 39 -1.427 -12.023 5.108 1.00 0.00 C ATOM 523 O THR A 39 -1.023 -10.872 5.265 1.00 0.00 O ATOM 524 CB THR A 39 -2.327 -13.018 7.286 1.00 0.00 C ATOM 525 OG1 THR A 39 -2.635 -14.387 7.533 1.00 0.00 O ATOM 526 CG2 THR A 39 -3.640 -12.430 6.765 1.00 0.00 C ATOM 0 H THR A 39 -0.007 -12.589 7.834 1.00 0.00 H new ATOM 0 HA THR A 39 -1.301 -14.036 5.711 1.00 0.00 H new ATOM 0 HB THR A 39 -1.974 -12.426 8.130 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.331 -14.447 8.220 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.377 -12.417 7.568 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.469 -11.413 6.413 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.011 -13.041 5.942 1.00 0.00 H new ATOM 534 N PRO A 40 -2.055 -12.474 3.989 1.00 0.00 N ATOM 535 CA PRO A 40 -2.300 -11.590 2.862 1.00 0.00 C ATOM 536 C PRO A 40 -3.449 -10.625 3.161 1.00 0.00 C ATOM 537 O PRO A 40 -4.301 -10.910 4.002 1.00 0.00 O ATOM 538 CB PRO A 40 -2.592 -12.516 1.692 1.00 0.00 C ATOM 539 CG PRO A 40 -2.957 -13.859 2.305 1.00 0.00 C ATOM 540 CD PRO A 40 -2.548 -13.830 3.768 1.00 0.00 C ATOM 0 HA PRO A 40 -1.449 -10.946 2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.409 -12.130 1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.723 -12.607 1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.027 -14.043 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.447 -14.668 1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.392 -14.055 4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.777 -14.571 3.978 1.00 0.00 H new ATOM 548 N TYR A 41 -3.436 -9.503 2.456 1.00 0.00 N ATOM 549 CA TYR A 41 -4.467 -8.495 2.636 1.00 0.00 C ATOM 550 C TYR A 41 -5.665 -8.767 1.725 1.00 0.00 C ATOM 551 O TYR A 41 -6.805 -8.485 2.092 1.00 0.00 O ATOM 552 CB TYR A 41 -3.828 -7.164 2.234 1.00 0.00 C ATOM 553 CG TYR A 41 -4.805 -5.986 2.213 1.00 0.00 C ATOM 554 CD1 TYR A 41 -5.191 -5.389 3.396 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.300 -5.521 1.012 1.00 0.00 C ATOM 556 CE1 TYR A 41 -6.110 -4.281 3.377 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.219 -4.413 0.992 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.579 -3.847 2.176 1.00 0.00 C ATOM 559 OH TYR A 41 -7.447 -2.801 2.157 1.00 0.00 O ATOM 0 H TYR A 41 -2.728 -9.270 1.760 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.827 -8.493 3.665 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.017 -6.938 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.382 -7.271 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.804 -5.753 4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.998 -5.988 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.420 -3.805 4.296 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.614 -4.040 0.059 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.952 -1.968 2.010 1.00 0.00 H new ATOM 569 N LYS A 42 -5.367 -9.312 0.555 1.00 0.00 N ATOM 570 CA LYS A 42 -6.406 -9.626 -0.411 1.00 0.00 C ATOM 571 C LYS A 42 -6.162 -11.026 -0.979 1.00 0.00 C ATOM 572 O LYS A 42 -5.157 -11.262 -1.649 1.00 0.00 O ATOM 573 CB LYS A 42 -6.490 -8.535 -1.480 1.00 0.00 C ATOM 574 CG LYS A 42 -7.582 -7.518 -1.141 1.00 0.00 C ATOM 575 CD LYS A 42 -8.240 -6.975 -2.411 1.00 0.00 C ATOM 576 CE LYS A 42 -8.190 -5.446 -2.444 1.00 0.00 C ATOM 577 NZ LYS A 42 -9.446 -4.899 -3.003 1.00 0.00 N ATOM 0 H LYS A 42 -4.421 -9.544 0.254 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.383 -9.643 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.529 -8.028 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.697 -8.987 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.336 -7.986 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.153 -6.695 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.733 -7.378 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.276 -7.310 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.034 -5.059 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.343 -5.117 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.396 -3.860 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.578 -5.254 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.248 -5.198 -2.412 1.00 0.00 H new ATOM 591 N GLY A 43 -7.098 -11.918 -0.691 1.00 0.00 N ATOM 592 CA GLY A 43 -6.998 -13.288 -1.165 1.00 0.00 C ATOM 593 C GLY A 43 -5.607 -13.862 -0.891 1.00 0.00 C ATOM 594 O GLY A 43 -4.834 -13.288 -0.125 1.00 0.00 O ATOM 0 H GLY A 43 -7.930 -11.719 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.752 -13.903 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.206 -13.323 -2.234 1.00 0.00 H new ATOM 598 N ASP A 44 -5.329 -14.987 -1.533 1.00 0.00 N ATOM 599 CA ASP A 44 -4.044 -15.645 -1.369 1.00 0.00 C ATOM 600 C ASP A 44 -3.003 -14.948 -2.246 1.00 0.00 C ATOM 601 O ASP A 44 -2.594 -15.485 -3.275 1.00 0.00 O ATOM 602 CB ASP A 44 -4.118 -17.112 -1.797 1.00 0.00 C ATOM 603 CG ASP A 44 -4.358 -18.107 -0.659 1.00 0.00 C ATOM 604 OD1 ASP A 44 -3.349 -18.554 -0.074 1.00 0.00 O ATOM 605 OD2 ASP A 44 -5.546 -18.397 -0.401 1.00 0.00 O ATOM 0 H ASP A 44 -5.972 -15.460 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.769 -15.590 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.918 -17.221 -2.529 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.187 -17.376 -2.300 1.00 0.00 H new ATOM 610 N ASP A 45 -2.604 -13.763 -1.808 1.00 0.00 N ATOM 611 CA ASP A 45 -1.618 -12.987 -2.542 1.00 0.00 C ATOM 612 C ASP A 45 -0.605 -12.399 -1.558 1.00 0.00 C ATOM 613 O ASP A 45 -0.952 -11.553 -0.735 1.00 0.00 O ATOM 614 CB ASP A 45 -2.277 -11.828 -3.292 1.00 0.00 C ATOM 615 CG ASP A 45 -2.831 -12.183 -4.673 1.00 0.00 C ATOM 616 OD1 ASP A 45 -2.000 -12.334 -5.595 1.00 0.00 O ATOM 617 OD2 ASP A 45 -4.071 -12.295 -4.776 1.00 0.00 O ATOM 0 H ASP A 45 -2.945 -13.321 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.131 -13.649 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.090 -11.435 -2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.547 -11.026 -3.405 1.00 0.00 H new ATOM 622 N GLU A 46 0.628 -12.870 -1.676 1.00 0.00 N ATOM 623 CA GLU A 46 1.694 -12.401 -0.807 1.00 0.00 C ATOM 624 C GLU A 46 2.218 -11.048 -1.293 1.00 0.00 C ATOM 625 O GLU A 46 3.417 -10.886 -1.514 1.00 0.00 O ATOM 626 CB GLU A 46 2.825 -13.428 -0.724 1.00 0.00 C ATOM 627 CG GLU A 46 2.365 -14.691 0.008 1.00 0.00 C ATOM 628 CD GLU A 46 3.112 -15.924 -0.504 1.00 0.00 C ATOM 629 OE1 GLU A 46 3.405 -15.946 -1.719 1.00 0.00 O ATOM 630 OE2 GLU A 46 3.374 -16.817 0.331 1.00 0.00 O ATOM 0 H GLU A 46 0.912 -13.571 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 46 1.288 -12.273 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.161 -13.687 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.679 -12.993 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.535 -14.577 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.293 -14.827 -0.132 1.00 0.00 H new ATOM 637 N GLY A 47 1.293 -10.111 -1.444 1.00 0.00 N ATOM 638 CA GLY A 47 1.647 -8.777 -1.899 1.00 0.00 C ATOM 639 C GLY A 47 1.311 -7.728 -0.837 1.00 0.00 C ATOM 640 O GLY A 47 0.605 -8.020 0.127 1.00 0.00 O ATOM 0 H GLY A 47 0.299 -10.249 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.712 -8.738 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.113 -8.550 -2.821 1.00 0.00 H new ATOM 644 N ILE A 48 1.832 -6.529 -1.050 1.00 0.00 N ATOM 645 CA ILE A 48 1.596 -5.435 -0.123 1.00 0.00 C ATOM 646 C ILE A 48 0.515 -4.515 -0.692 1.00 0.00 C ATOM 647 O ILE A 48 0.700 -3.914 -1.749 1.00 0.00 O ATOM 648 CB ILE A 48 2.907 -4.717 0.202 1.00 0.00 C ATOM 649 CG1 ILE A 48 3.847 -5.624 0.999 1.00 0.00 C ATOM 650 CG2 ILE A 48 2.643 -3.393 0.922 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.367 -5.779 2.443 1.00 0.00 C ATOM 0 H ILE A 48 2.417 -6.291 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 48 1.223 -5.815 0.828 1.00 0.00 H new ATOM 0 HB ILE A 48 3.408 -4.480 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.903 -6.603 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.854 -5.207 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.591 -2.903 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.039 -2.747 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.110 -3.585 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.053 -6.428 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.336 -4.801 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.370 -6.218 2.450 1.00 0.00 H new ATOM 663 N PHE A 49 -0.590 -4.433 0.035 1.00 0.00 N ATOM 664 CA PHE A 49 -1.701 -3.596 -0.384 1.00 0.00 C ATOM 665 C PHE A 49 -1.921 -2.444 0.599 1.00 0.00 C ATOM 666 O PHE A 49 -1.568 -2.549 1.772 1.00 0.00 O ATOM 667 CB PHE A 49 -2.948 -4.482 -0.401 1.00 0.00 C ATOM 668 CG PHE A 49 -3.000 -5.461 -1.576 1.00 0.00 C ATOM 669 CD1 PHE A 49 -2.005 -6.372 -1.747 1.00 0.00 C ATOM 670 CD2 PHE A 49 -4.042 -5.420 -2.449 1.00 0.00 C ATOM 671 CE1 PHE A 49 -2.053 -7.280 -2.837 1.00 0.00 C ATOM 672 CE2 PHE A 49 -4.091 -6.329 -3.539 1.00 0.00 C ATOM 673 CZ PHE A 49 -3.095 -7.240 -3.710 1.00 0.00 C ATOM 0 H PHE A 49 -0.739 -4.933 0.912 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.494 -3.167 -1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.993 -5.046 0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.833 -3.846 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.178 -6.405 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.832 -4.696 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.262 -8.003 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.919 -6.297 -4.232 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.132 -7.931 -4.539 1.00 0.00 H new ATOM 683 N ILE A 50 -2.503 -1.371 0.083 1.00 0.00 N ATOM 684 CA ILE A 50 -2.775 -0.201 0.901 1.00 0.00 C ATOM 685 C ILE A 50 -3.861 -0.540 1.924 1.00 0.00 C ATOM 686 O ILE A 50 -4.884 -1.128 1.576 1.00 0.00 O ATOM 687 CB ILE A 50 -3.114 1.002 0.019 1.00 0.00 C ATOM 688 CG1 ILE A 50 -2.049 1.208 -1.060 1.00 0.00 C ATOM 689 CG2 ILE A 50 -3.323 2.260 0.865 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.662 1.375 -0.438 1.00 0.00 C ATOM 0 H ILE A 50 -2.794 -1.287 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.886 0.086 1.463 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.055 0.797 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.046 0.356 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.294 2.089 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.563 3.101 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.144 2.097 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.412 2.480 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.076 1.520 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.661 2.242 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.410 0.482 0.135 1.00 0.00 H new ATOM 702 N SER A 51 -3.602 -0.155 3.164 1.00 0.00 N ATOM 703 CA SER A 51 -4.546 -0.410 4.240 1.00 0.00 C ATOM 704 C SER A 51 -5.367 0.849 4.526 1.00 0.00 C ATOM 705 O SER A 51 -6.587 0.780 4.664 1.00 0.00 O ATOM 706 CB SER A 51 -3.824 -0.872 5.507 1.00 0.00 C ATOM 707 OG SER A 51 -4.398 -0.309 6.684 1.00 0.00 O ATOM 0 H SER A 51 -2.752 0.332 3.449 1.00 0.00 H new ATOM 0 HA SER A 51 -5.217 -1.209 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.862 -1.960 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.772 -0.593 5.447 1.00 0.00 H new ATOM 0 HG SER A 51 -3.910 -0.629 7.471 1.00 0.00 H new ATOM 713 N ARG A 52 -4.664 1.969 4.606 1.00 0.00 N ATOM 714 CA ARG A 52 -5.313 3.242 4.874 1.00 0.00 C ATOM 715 C ARG A 52 -4.493 4.390 4.281 1.00 0.00 C ATOM 716 O ARG A 52 -3.270 4.412 4.404 1.00 0.00 O ATOM 717 CB ARG A 52 -5.483 3.469 6.377 1.00 0.00 C ATOM 718 CG ARG A 52 -6.365 4.688 6.651 1.00 0.00 C ATOM 719 CD ARG A 52 -7.692 4.273 7.290 1.00 0.00 C ATOM 720 NE ARG A 52 -8.819 4.673 6.419 1.00 0.00 N ATOM 721 CZ ARG A 52 -10.098 4.717 6.818 1.00 0.00 C ATOM 722 NH1 ARG A 52 -10.419 4.387 8.076 1.00 0.00 N ATOM 723 NH2 ARG A 52 -11.055 5.093 5.959 1.00 0.00 N ATOM 0 H ARG A 52 -3.652 2.022 4.490 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.299 3.216 4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.927 2.585 6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.506 3.611 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.841 5.380 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.557 5.219 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.708 3.195 7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.795 4.740 8.270 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.610 4.931 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.690 4.102 8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.392 4.421 8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.810 5.346 5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.028 5.126 6.262 1.00 0.00 H new ATOM 737 N VAL A 53 -5.201 5.316 3.651 1.00 0.00 N ATOM 738 CA VAL A 53 -4.555 6.465 3.039 1.00 0.00 C ATOM 739 C VAL A 53 -4.849 7.714 3.872 1.00 0.00 C ATOM 740 O VAL A 53 -5.927 8.296 3.766 1.00 0.00 O ATOM 741 CB VAL A 53 -4.999 6.600 1.581 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.683 7.995 1.039 1.00 0.00 C ATOM 743 CG2 VAL A 53 -4.360 5.516 0.711 1.00 0.00 C ATOM 0 H VAL A 53 -6.216 5.294 3.551 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.473 6.332 3.024 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.080 6.464 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.009 8.064 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.206 8.744 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.609 8.172 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.692 5.635 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.275 5.607 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.657 4.533 1.077 1.00 0.00 H new ATOM 753 N SER A 54 -3.870 8.089 4.683 1.00 0.00 N ATOM 754 CA SER A 54 -4.011 9.259 5.533 1.00 0.00 C ATOM 755 C SER A 54 -4.574 10.429 4.725 1.00 0.00 C ATOM 756 O SER A 54 -3.944 10.893 3.776 1.00 0.00 O ATOM 757 CB SER A 54 -2.671 9.645 6.164 1.00 0.00 C ATOM 758 OG SER A 54 -2.176 8.629 7.031 1.00 0.00 O ATOM 0 H SER A 54 -2.977 7.604 4.769 1.00 0.00 H new ATOM 0 HA SER A 54 -4.705 9.016 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.942 9.837 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.788 10.573 6.723 1.00 0.00 H new ATOM 0 HG SER A 54 -1.319 8.913 7.412 1.00 0.00 H new ATOM 764 N GLU A 55 -5.754 10.874 5.132 1.00 0.00 N ATOM 765 CA GLU A 55 -6.409 11.982 4.457 1.00 0.00 C ATOM 766 C GLU A 55 -5.474 13.191 4.391 1.00 0.00 C ATOM 767 O GLU A 55 -5.242 13.742 3.316 1.00 0.00 O ATOM 768 CB GLU A 55 -7.725 12.344 5.149 1.00 0.00 C ATOM 769 CG GLU A 55 -8.920 12.060 4.236 1.00 0.00 C ATOM 770 CD GLU A 55 -9.921 13.217 4.267 1.00 0.00 C ATOM 771 OE1 GLU A 55 -9.451 14.374 4.230 1.00 0.00 O ATOM 772 OE2 GLU A 55 -11.133 12.918 4.327 1.00 0.00 O ATOM 0 H GLU A 55 -6.273 10.488 5.920 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.644 11.674 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.824 11.773 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.717 13.398 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.573 11.902 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.412 11.140 4.551 1.00 0.00 H new ATOM 779 N GLU A 56 -4.963 13.568 5.553 1.00 0.00 N ATOM 780 CA GLU A 56 -4.059 14.702 5.641 1.00 0.00 C ATOM 781 C GLU A 56 -2.606 14.222 5.645 1.00 0.00 C ATOM 782 O GLU A 56 -1.866 14.481 6.594 1.00 0.00 O ATOM 783 CB GLU A 56 -4.360 15.550 6.878 1.00 0.00 C ATOM 784 CG GLU A 56 -5.071 16.848 6.492 1.00 0.00 C ATOM 785 CD GLU A 56 -5.379 17.693 7.730 1.00 0.00 C ATOM 786 OE1 GLU A 56 -5.915 17.109 8.697 1.00 0.00 O ATOM 787 OE2 GLU A 56 -5.072 18.904 7.682 1.00 0.00 O ATOM 0 H GLU A 56 -5.158 13.108 6.442 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.211 15.332 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.982 14.982 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.431 15.781 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.447 17.418 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.997 16.617 5.965 1.00 0.00 H new ATOM 794 N GLY A 57 -2.240 13.532 4.575 1.00 0.00 N ATOM 795 CA GLY A 57 -0.889 13.014 4.444 1.00 0.00 C ATOM 796 C GLY A 57 -0.300 13.358 3.074 1.00 0.00 C ATOM 797 O GLY A 57 -0.954 14.006 2.258 1.00 0.00 O ATOM 0 H GLY A 57 -2.856 13.319 3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.258 13.430 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.896 11.933 4.580 1.00 0.00 H new ATOM 801 N PRO A 58 0.961 12.898 2.859 1.00 0.00 N ATOM 802 CA PRO A 58 1.645 13.150 1.602 1.00 0.00 C ATOM 803 C PRO A 58 1.092 12.259 0.488 1.00 0.00 C ATOM 804 O PRO A 58 0.785 12.740 -0.602 1.00 0.00 O ATOM 805 CB PRO A 58 3.114 12.892 1.895 1.00 0.00 C ATOM 806 CG PRO A 58 3.146 12.060 3.167 1.00 0.00 C ATOM 807 CD PRO A 58 1.766 12.128 3.802 1.00 0.00 C ATOM 0 HA PRO A 58 1.497 14.167 1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.590 12.362 1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.656 13.828 2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.412 11.027 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.902 12.441 3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.351 11.132 3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.803 12.612 4.778 1.00 0.00 H new ATOM 815 N ALA A 59 0.982 10.976 0.800 1.00 0.00 N ATOM 816 CA ALA A 59 0.471 10.013 -0.161 1.00 0.00 C ATOM 817 C ALA A 59 -0.805 10.565 -0.800 1.00 0.00 C ATOM 818 O ALA A 59 -0.893 10.676 -2.022 1.00 0.00 O ATOM 819 CB ALA A 59 0.241 8.670 0.535 1.00 0.00 C ATOM 0 H ALA A 59 1.238 10.581 1.705 1.00 0.00 H new ATOM 0 HA ALA A 59 1.194 9.847 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.142 7.948 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.183 8.307 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.482 8.797 1.341 1.00 0.00 H new ATOM 825 N ALA A 60 -1.761 10.896 0.055 1.00 0.00 N ATOM 826 CA ALA A 60 -3.028 11.433 -0.411 1.00 0.00 C ATOM 827 C ALA A 60 -2.770 12.430 -1.543 1.00 0.00 C ATOM 828 O ALA A 60 -3.383 12.342 -2.605 1.00 0.00 O ATOM 829 CB ALA A 60 -3.778 12.065 0.763 1.00 0.00 C ATOM 0 H ALA A 60 -1.684 10.803 1.068 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.658 10.638 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.728 12.468 0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.963 11.309 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.177 12.869 1.188 1.00 0.00 H new ATOM 835 N ARG A 61 -1.860 13.356 -1.276 1.00 0.00 N ATOM 836 CA ARG A 61 -1.512 14.368 -2.258 1.00 0.00 C ATOM 837 C ARG A 61 -1.124 13.710 -3.584 1.00 0.00 C ATOM 838 O ARG A 61 -1.624 14.093 -4.641 1.00 0.00 O ATOM 839 CB ARG A 61 -0.351 15.235 -1.768 1.00 0.00 C ATOM 840 CG ARG A 61 -0.665 15.852 -0.404 1.00 0.00 C ATOM 841 CD ARG A 61 0.371 16.914 -0.030 1.00 0.00 C ATOM 842 NE ARG A 61 0.125 17.399 1.346 1.00 0.00 N ATOM 843 CZ ARG A 61 -0.842 18.265 1.676 1.00 0.00 C ATOM 844 NH1 ARG A 61 -1.661 18.747 0.731 1.00 0.00 N ATOM 845 NH2 ARG A 61 -0.991 18.650 2.951 1.00 0.00 N ATOM 0 H ARG A 61 -1.353 13.426 -0.393 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.387 15.002 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.554 14.632 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.152 16.026 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.659 16.299 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.682 15.072 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.375 16.496 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.321 17.746 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 61 0.730 17.052 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.548 18.454 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.397 19.406 0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.368 18.284 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.728 19.310 3.202 1.00 0.00 H new ATOM 859 N ALA A 62 -0.237 12.732 -3.485 1.00 0.00 N ATOM 860 CA ALA A 62 0.224 12.017 -4.663 1.00 0.00 C ATOM 861 C ALA A 62 -0.985 11.496 -5.443 1.00 0.00 C ATOM 862 O ALA A 62 -1.004 11.547 -6.672 1.00 0.00 O ATOM 863 CB ALA A 62 1.174 10.894 -4.241 1.00 0.00 C ATOM 0 H ALA A 62 0.175 12.417 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 62 0.780 12.683 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.519 10.358 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.030 11.319 -3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.650 10.204 -3.580 1.00 0.00 H new ATOM 869 N GLY A 63 -1.964 11.006 -4.697 1.00 0.00 N ATOM 870 CA GLY A 63 -3.173 10.476 -5.304 1.00 0.00 C ATOM 871 C GLY A 63 -3.274 8.964 -5.094 1.00 0.00 C ATOM 872 O GLY A 63 -3.820 8.252 -5.936 1.00 0.00 O ATOM 0 H GLY A 63 -1.945 10.965 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.046 10.966 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.177 10.700 -6.371 1.00 0.00 H new ATOM 876 N VAL A 64 -2.739 8.518 -3.967 1.00 0.00 N ATOM 877 CA VAL A 64 -2.762 7.103 -3.637 1.00 0.00 C ATOM 878 C VAL A 64 -4.203 6.674 -3.350 1.00 0.00 C ATOM 879 O VAL A 64 -5.045 7.503 -3.008 1.00 0.00 O ATOM 880 CB VAL A 64 -1.812 6.823 -2.471 1.00 0.00 C ATOM 881 CG1 VAL A 64 -2.309 7.487 -1.186 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.618 5.318 -2.271 1.00 0.00 C ATOM 0 H VAL A 64 -2.287 9.111 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.407 6.508 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.843 7.256 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.615 7.272 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.371 8.565 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.295 7.098 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.938 5.147 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.580 4.852 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.197 4.882 -3.177 1.00 0.00 H new ATOM 892 N ARG A 65 -4.442 5.380 -3.499 1.00 0.00 N ATOM 893 CA ARG A 65 -5.766 4.831 -3.261 1.00 0.00 C ATOM 894 C ARG A 65 -5.662 3.503 -2.508 1.00 0.00 C ATOM 895 O ARG A 65 -4.762 2.705 -2.769 1.00 0.00 O ATOM 896 CB ARG A 65 -6.514 4.606 -4.576 1.00 0.00 C ATOM 897 CG ARG A 65 -6.965 5.936 -5.184 1.00 0.00 C ATOM 898 CD ARG A 65 -6.233 6.213 -6.499 1.00 0.00 C ATOM 899 NE ARG A 65 -7.008 7.174 -7.316 1.00 0.00 N ATOM 900 CZ ARG A 65 -8.143 6.870 -7.960 1.00 0.00 C ATOM 901 NH1 ARG A 65 -8.643 5.629 -7.886 1.00 0.00 N ATOM 902 NH2 ARG A 65 -8.778 7.806 -8.678 1.00 0.00 N ATOM 0 H ARG A 65 -3.741 4.695 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.320 5.552 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.869 4.080 -5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.381 3.969 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.040 5.914 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.774 6.746 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.240 6.614 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.094 5.283 -7.050 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.656 8.128 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.160 4.916 -7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.507 5.397 -8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.397 8.751 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.642 7.574 -9.168 1.00 0.00 H new ATOM 916 N VAL A 66 -6.595 3.306 -1.588 1.00 0.00 N ATOM 917 CA VAL A 66 -6.620 2.088 -0.796 1.00 0.00 C ATOM 918 C VAL A 66 -6.812 0.886 -1.722 1.00 0.00 C ATOM 919 O VAL A 66 -7.495 0.986 -2.740 1.00 0.00 O ATOM 920 CB VAL A 66 -7.698 2.189 0.285 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.868 0.856 1.016 1.00 0.00 C ATOM 922 CG2 VAL A 66 -7.384 3.318 1.269 1.00 0.00 C ATOM 0 H VAL A 66 -7.339 3.970 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.671 1.950 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.643 2.425 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.640 0.955 1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.159 0.085 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.926 0.577 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.166 3.368 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.425 3.126 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.338 4.266 0.733 1.00 0.00 H new ATOM 932 N GLY A 67 -6.199 -0.223 -1.335 1.00 0.00 N ATOM 933 CA GLY A 67 -6.294 -1.443 -2.118 1.00 0.00 C ATOM 934 C GLY A 67 -5.107 -1.575 -3.074 1.00 0.00 C ATOM 935 O GLY A 67 -4.733 -2.683 -3.456 1.00 0.00 O ATOM 0 H GLY A 67 -5.634 -0.302 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.327 -2.305 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.224 -1.443 -2.686 1.00 0.00 H new ATOM 939 N ASP A 68 -4.547 -0.429 -3.434 1.00 0.00 N ATOM 940 CA ASP A 68 -3.410 -0.403 -4.338 1.00 0.00 C ATOM 941 C ASP A 68 -2.456 -1.545 -3.984 1.00 0.00 C ATOM 942 O ASP A 68 -2.079 -1.707 -2.824 1.00 0.00 O ATOM 943 CB ASP A 68 -2.639 0.913 -4.215 1.00 0.00 C ATOM 944 CG ASP A 68 -1.130 0.761 -4.012 1.00 0.00 C ATOM 945 OD1 ASP A 68 -0.549 -0.107 -4.700 1.00 0.00 O ATOM 946 OD2 ASP A 68 -0.591 1.516 -3.175 1.00 0.00 O ATOM 0 H ASP A 68 -4.860 0.488 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.786 -0.507 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.812 1.504 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.048 1.480 -3.378 1.00 0.00 H new ATOM 951 N LYS A 69 -2.092 -2.308 -5.005 1.00 0.00 N ATOM 952 CA LYS A 69 -1.189 -3.430 -4.816 1.00 0.00 C ATOM 953 C LYS A 69 0.230 -3.007 -5.200 1.00 0.00 C ATOM 954 O LYS A 69 0.635 -3.154 -6.352 1.00 0.00 O ATOM 955 CB LYS A 69 -1.693 -4.657 -5.578 1.00 0.00 C ATOM 956 CG LYS A 69 -0.608 -5.734 -5.662 1.00 0.00 C ATOM 957 CD LYS A 69 -1.079 -6.921 -6.504 1.00 0.00 C ATOM 958 CE LYS A 69 -0.190 -8.145 -6.272 1.00 0.00 C ATOM 959 NZ LYS A 69 0.905 -8.186 -7.267 1.00 0.00 N ATOM 0 H LYS A 69 -2.406 -2.171 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.161 -3.725 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.574 -5.062 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.999 -4.365 -6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.297 -5.311 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.350 -6.074 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.111 -7.164 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.064 -6.651 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.226 -8.114 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.787 -9.054 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.395 -9.101 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.511 -8.067 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.580 -7.419 -7.073 1.00 0.00 H new ATOM 973 N LEU A 70 0.948 -2.492 -4.213 1.00 0.00 N ATOM 974 CA LEU A 70 2.313 -2.047 -4.433 1.00 0.00 C ATOM 975 C LEU A 70 3.085 -3.135 -5.182 1.00 0.00 C ATOM 976 O LEU A 70 3.030 -4.307 -4.812 1.00 0.00 O ATOM 977 CB LEU A 70 2.962 -1.633 -3.110 1.00 0.00 C ATOM 978 CG LEU A 70 3.709 -0.297 -3.119 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.686 -0.223 -4.294 1.00 0.00 C ATOM 980 CD2 LEU A 70 2.730 0.878 -3.112 1.00 0.00 C ATOM 0 H LEU A 70 0.610 -2.373 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 70 2.326 -1.156 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.186 -1.588 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.660 -2.415 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 70 4.299 -0.229 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.204 0.736 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.414 -1.030 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.137 -0.322 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.286 1.815 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.094 0.827 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.111 0.830 -2.216 1.00 0.00 H new ATOM 992 N LEU A 71 3.787 -2.709 -6.222 1.00 0.00 N ATOM 993 CA LEU A 71 4.569 -3.632 -7.027 1.00 0.00 C ATOM 994 C LEU A 71 6.056 -3.325 -6.846 1.00 0.00 C ATOM 995 O LEU A 71 6.872 -4.238 -6.724 1.00 0.00 O ATOM 996 CB LEU A 71 4.106 -3.597 -8.485 1.00 0.00 C ATOM 997 CG LEU A 71 2.595 -3.687 -8.711 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.242 -3.395 -10.171 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.052 -5.041 -8.250 1.00 0.00 C ATOM 0 H LEU A 71 3.830 -1.736 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 71 4.412 -4.657 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.467 -2.674 -8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.583 -4.420 -9.017 1.00 0.00 H new ATOM 0 HG LEU A 71 2.112 -2.922 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.163 -3.465 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.576 -2.391 -10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.736 -4.121 -10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.976 -5.079 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.538 -5.838 -8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.255 -5.171 -7.187 1.00 0.00 H new ATOM 1011 N GLU A 72 6.365 -2.037 -6.835 1.00 0.00 N ATOM 1012 CA GLU A 72 7.741 -1.598 -6.672 1.00 0.00 C ATOM 1013 C GLU A 72 7.792 -0.303 -5.858 1.00 0.00 C ATOM 1014 O GLU A 72 6.788 0.398 -5.736 1.00 0.00 O ATOM 1015 CB GLU A 72 8.425 -1.420 -8.029 1.00 0.00 C ATOM 1016 CG GLU A 72 9.551 -2.440 -8.213 1.00 0.00 C ATOM 1017 CD GLU A 72 9.960 -2.545 -9.684 1.00 0.00 C ATOM 1018 OE1 GLU A 72 9.275 -3.296 -10.411 1.00 0.00 O ATOM 1019 OE2 GLU A 72 10.948 -1.871 -10.047 1.00 0.00 O ATOM 0 H GLU A 72 5.686 -1.283 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 72 8.285 -2.369 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.692 -1.534 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.828 -0.410 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.412 -2.149 -7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.226 -3.416 -7.852 1.00 0.00 H new ATOM 1026 N VAL A 73 8.971 -0.025 -5.323 1.00 0.00 N ATOM 1027 CA VAL A 73 9.166 1.174 -4.524 1.00 0.00 C ATOM 1028 C VAL A 73 10.601 1.674 -4.706 1.00 0.00 C ATOM 1029 O VAL A 73 11.529 1.143 -4.099 1.00 0.00 O ATOM 1030 CB VAL A 73 8.812 0.892 -3.063 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.447 1.930 -2.135 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.296 0.836 -2.867 1.00 0.00 C ATOM 0 H VAL A 73 9.801 -0.609 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 73 8.499 1.969 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 73 9.220 -0.085 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.180 1.707 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.531 1.900 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.083 2.923 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.072 0.634 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.856 1.791 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.878 0.043 -3.487 1.00 0.00 H new ATOM 1042 N ASN A 74 10.737 2.692 -5.544 1.00 0.00 N ATOM 1043 CA ASN A 74 12.042 3.270 -5.813 1.00 0.00 C ATOM 1044 C ASN A 74 12.862 2.295 -6.661 1.00 0.00 C ATOM 1045 O ASN A 74 14.063 2.487 -6.846 1.00 0.00 O ATOM 1046 CB ASN A 74 12.809 3.528 -4.515 1.00 0.00 C ATOM 1047 CG ASN A 74 13.225 4.997 -4.406 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.258 5.414 -4.903 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.365 5.754 -3.731 1.00 0.00 N ATOM 0 H ASN A 74 9.965 3.131 -6.045 1.00 0.00 H new ATOM 0 HA ASN A 74 11.891 4.214 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.187 3.258 -3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.694 2.892 -4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.552 6.749 -3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.518 5.340 -3.341 1.00 0.00 H new ATOM 1056 N GLY A 75 12.181 1.270 -7.152 1.00 0.00 N ATOM 1057 CA GLY A 75 12.832 0.265 -7.975 1.00 0.00 C ATOM 1058 C GLY A 75 12.862 -1.089 -7.264 1.00 0.00 C ATOM 1059 O GLY A 75 13.037 -2.126 -7.903 1.00 0.00 O ATOM 0 H GLY A 75 11.185 1.114 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.305 0.170 -8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.849 0.582 -8.206 1.00 0.00 H new ATOM 1063 N VAL A 76 12.690 -1.037 -5.952 1.00 0.00 N ATOM 1064 CA VAL A 76 12.696 -2.247 -5.147 1.00 0.00 C ATOM 1065 C VAL A 76 11.401 -3.024 -5.392 1.00 0.00 C ATOM 1066 O VAL A 76 10.321 -2.436 -5.445 1.00 0.00 O ATOM 1067 CB VAL A 76 12.912 -1.895 -3.674 1.00 0.00 C ATOM 1068 CG1 VAL A 76 11.660 -1.251 -3.075 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.333 -3.128 -2.871 1.00 0.00 C ATOM 0 H VAL A 76 12.545 -0.175 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 76 13.524 -2.894 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 76 13.722 -1.168 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.840 -1.011 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.424 -0.338 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.823 -1.945 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.480 -2.850 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.555 -3.889 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.264 -3.525 -3.275 1.00 0.00 H new ATOM 1079 N ALA A 77 11.551 -4.332 -5.535 1.00 0.00 N ATOM 1080 CA ALA A 77 10.407 -5.195 -5.774 1.00 0.00 C ATOM 1081 C ALA A 77 9.744 -5.537 -4.437 1.00 0.00 C ATOM 1082 O ALA A 77 10.358 -6.168 -3.579 1.00 0.00 O ATOM 1083 CB ALA A 77 10.858 -6.443 -6.536 1.00 0.00 C ATOM 0 H ALA A 77 12.448 -4.816 -5.490 1.00 0.00 H new ATOM 0 HA ALA A 77 9.666 -4.687 -6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.999 -7.090 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.296 -6.149 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.601 -6.981 -5.947 1.00 0.00 H new ATOM 1089 N LEU A 78 8.498 -5.105 -4.304 1.00 0.00 N ATOM 1090 CA LEU A 78 7.746 -5.357 -3.087 1.00 0.00 C ATOM 1091 C LEU A 78 6.849 -6.580 -3.291 1.00 0.00 C ATOM 1092 O LEU A 78 6.340 -7.148 -2.326 1.00 0.00 O ATOM 1093 CB LEU A 78 6.984 -4.101 -2.658 1.00 0.00 C ATOM 1094 CG LEU A 78 7.839 -2.941 -2.143 1.00 0.00 C ATOM 1095 CD1 LEU A 78 6.967 -1.863 -1.496 1.00 0.00 C ATOM 1096 CD2 LEU A 78 8.929 -3.443 -1.194 1.00 0.00 C ATOM 0 H LEU A 78 7.991 -4.583 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 78 8.421 -5.589 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.400 -3.747 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.276 -4.379 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 78 8.341 -2.481 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.599 -1.050 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.260 -1.477 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.420 -2.293 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.522 -2.599 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.468 -3.942 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.575 -4.146 -1.721 1.00 0.00 H new ATOM 1108 N GLN A 79 6.685 -6.949 -4.553 1.00 0.00 N ATOM 1109 CA GLN A 79 5.859 -8.095 -4.895 1.00 0.00 C ATOM 1110 C GLN A 79 6.523 -9.389 -4.420 1.00 0.00 C ATOM 1111 O GLN A 79 7.294 -10.002 -5.157 1.00 0.00 O ATOM 1112 CB GLN A 79 5.582 -8.140 -6.399 1.00 0.00 C ATOM 1113 CG GLN A 79 4.303 -8.925 -6.697 1.00 0.00 C ATOM 1114 CD GLN A 79 4.520 -10.426 -6.495 1.00 0.00 C ATOM 1115 OE1 GLN A 79 4.162 -10.999 -5.479 1.00 0.00 O ATOM 1116 NE2 GLN A 79 5.124 -11.028 -7.515 1.00 0.00 N ATOM 0 H GLN A 79 7.109 -6.475 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 79 4.901 -7.994 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 79 5.489 -7.125 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.425 -8.601 -6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.500 -8.579 -6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.986 -8.735 -7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.397 -10.488 -8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.314 -12.029 -7.476 1.00 0.00 H new ATOM 1125 N GLY A 80 6.199 -9.766 -3.192 1.00 0.00 N ATOM 1126 CA GLY A 80 6.754 -10.976 -2.610 1.00 0.00 C ATOM 1127 C GLY A 80 7.784 -10.642 -1.529 1.00 0.00 C ATOM 1128 O GLY A 80 8.709 -11.416 -1.288 1.00 0.00 O ATOM 0 H GLY A 80 5.559 -9.255 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.953 -11.578 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.222 -11.577 -3.390 1.00 0.00 H new ATOM 1132 N ALA A 81 7.588 -9.489 -0.907 1.00 0.00 N ATOM 1133 CA ALA A 81 8.488 -9.043 0.143 1.00 0.00 C ATOM 1134 C ALA A 81 7.726 -8.978 1.468 1.00 0.00 C ATOM 1135 O ALA A 81 6.540 -8.654 1.491 1.00 0.00 O ATOM 1136 CB ALA A 81 9.098 -7.695 -0.246 1.00 0.00 C ATOM 0 H ALA A 81 6.819 -8.850 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 81 9.310 -9.748 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.773 -7.360 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.653 -7.802 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.303 -6.961 -0.379 1.00 0.00 H new ATOM 1142 N GLU A 82 8.440 -9.290 2.540 1.00 0.00 N ATOM 1143 CA GLU A 82 7.846 -9.271 3.866 1.00 0.00 C ATOM 1144 C GLU A 82 7.568 -7.831 4.302 1.00 0.00 C ATOM 1145 O GLU A 82 8.093 -6.888 3.713 1.00 0.00 O ATOM 1146 CB GLU A 82 8.742 -9.988 4.878 1.00 0.00 C ATOM 1147 CG GLU A 82 8.834 -11.483 4.567 1.00 0.00 C ATOM 1148 CD GLU A 82 10.158 -12.066 5.065 1.00 0.00 C ATOM 1149 OE1 GLU A 82 11.205 -11.486 4.705 1.00 0.00 O ATOM 1150 OE2 GLU A 82 10.093 -13.079 5.794 1.00 0.00 O ATOM 0 H GLU A 82 9.424 -9.557 2.517 1.00 0.00 H new ATOM 0 HA GLU A 82 6.898 -9.807 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.739 -9.548 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.347 -9.846 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.002 -12.008 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.744 -11.641 3.492 1.00 0.00 H new ATOM 1157 N HIS A 83 6.743 -7.707 5.332 1.00 0.00 N ATOM 1158 CA HIS A 83 6.390 -6.398 5.854 1.00 0.00 C ATOM 1159 C HIS A 83 7.652 -5.548 6.006 1.00 0.00 C ATOM 1160 O HIS A 83 7.807 -4.533 5.327 1.00 0.00 O ATOM 1161 CB HIS A 83 5.602 -6.529 7.159 1.00 0.00 C ATOM 1162 CG HIS A 83 4.507 -5.502 7.321 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.313 -5.564 6.625 1.00 0.00 N ATOM 1164 CD2 HIS A 83 4.438 -4.389 8.107 1.00 0.00 C ATOM 1165 CE1 HIS A 83 2.566 -4.529 6.982 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.265 -3.802 7.901 1.00 0.00 N ATOM 0 H HIS A 83 6.309 -8.492 5.819 1.00 0.00 H new ATOM 0 HA HIS A 83 5.733 -5.887 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.162 -7.525 7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.292 -6.445 7.998 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.052 -6.284 5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.207 -4.044 8.782 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.578 -4.301 6.611 1.00 0.00 H new ATOM 1174 N HIS A 84 8.523 -5.993 6.899 1.00 0.00 N ATOM 1175 CA HIS A 84 9.767 -5.285 7.149 1.00 0.00 C ATOM 1176 C HIS A 84 10.375 -4.831 5.820 1.00 0.00 C ATOM 1177 O HIS A 84 10.654 -3.648 5.633 1.00 0.00 O ATOM 1178 CB HIS A 84 10.725 -6.145 7.975 1.00 0.00 C ATOM 1179 CG HIS A 84 11.317 -7.309 7.215 1.00 0.00 C ATOM 1180 ND1 HIS A 84 12.608 -7.300 6.717 1.00 0.00 N ATOM 1181 CD2 HIS A 84 10.781 -8.516 6.875 1.00 0.00 C ATOM 1182 CE1 HIS A 84 12.829 -8.454 6.106 1.00 0.00 C ATOM 1183 NE2 HIS A 84 11.695 -9.207 6.205 1.00 0.00 N ATOM 0 H HIS A 84 8.392 -6.836 7.459 1.00 0.00 H new ATOM 0 HA HIS A 84 9.568 -4.392 7.742 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.535 -5.516 8.344 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.194 -6.526 8.847 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.782 -8.853 7.111 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.745 -8.748 5.616 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.570 -10.146 5.827 1.00 0.00 H new ATOM 1191 N GLU A 85 10.562 -5.796 4.931 1.00 0.00 N ATOM 1192 CA GLU A 85 11.131 -5.510 3.625 1.00 0.00 C ATOM 1193 C GLU A 85 10.398 -4.336 2.972 1.00 0.00 C ATOM 1194 O GLU A 85 11.024 -3.478 2.351 1.00 0.00 O ATOM 1195 CB GLU A 85 11.092 -6.748 2.727 1.00 0.00 C ATOM 1196 CG GLU A 85 12.059 -7.821 3.230 1.00 0.00 C ATOM 1197 CD GLU A 85 12.888 -8.396 2.079 1.00 0.00 C ATOM 1198 OE1 GLU A 85 12.262 -8.959 1.155 1.00 0.00 O ATOM 1199 OE2 GLU A 85 14.128 -8.259 2.149 1.00 0.00 O ATOM 0 H GLU A 85 10.330 -6.776 5.090 1.00 0.00 H new ATOM 0 HA GLU A 85 12.176 -5.231 3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.079 -7.150 2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.352 -6.469 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.722 -7.394 3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.500 -8.621 3.715 1.00 0.00 H new ATOM 1206 N ALA A 86 9.084 -4.335 3.136 1.00 0.00 N ATOM 1207 CA ALA A 86 8.259 -3.281 2.570 1.00 0.00 C ATOM 1208 C ALA A 86 8.577 -1.959 3.272 1.00 0.00 C ATOM 1209 O ALA A 86 8.996 -0.996 2.631 1.00 0.00 O ATOM 1210 CB ALA A 86 6.784 -3.665 2.691 1.00 0.00 C ATOM 0 H ALA A 86 8.569 -5.048 3.653 1.00 0.00 H new ATOM 0 HA ALA A 86 8.475 -3.152 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.166 -2.874 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.605 -4.595 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.528 -3.800 3.742 1.00 0.00 H new ATOM 1216 N VAL A 87 8.366 -1.955 4.580 1.00 0.00 N ATOM 1217 CA VAL A 87 8.625 -0.768 5.376 1.00 0.00 C ATOM 1218 C VAL A 87 10.002 -0.207 5.015 1.00 0.00 C ATOM 1219 O VAL A 87 10.118 0.947 4.605 1.00 0.00 O ATOM 1220 CB VAL A 87 8.484 -1.094 6.864 1.00 0.00 C ATOM 1221 CG1 VAL A 87 8.915 0.092 7.729 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.055 -1.526 7.198 1.00 0.00 C ATOM 0 H VAL A 87 8.019 -2.755 5.108 1.00 0.00 H new ATOM 0 HA VAL A 87 7.890 0.007 5.156 1.00 0.00 H new ATOM 0 HB VAL A 87 9.147 -1.930 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.805 -0.167 8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.958 0.334 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.290 0.955 7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.982 -1.752 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.364 -0.720 6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.799 -2.414 6.620 1.00 0.00 H new ATOM 1232 N GLU A 88 11.011 -1.049 5.180 1.00 0.00 N ATOM 1233 CA GLU A 88 12.375 -0.652 4.877 1.00 0.00 C ATOM 1234 C GLU A 88 12.437 0.033 3.510 1.00 0.00 C ATOM 1235 O GLU A 88 12.979 1.130 3.385 1.00 0.00 O ATOM 1236 CB GLU A 88 13.321 -1.854 4.931 1.00 0.00 C ATOM 1237 CG GLU A 88 14.539 -1.554 5.807 1.00 0.00 C ATOM 1238 CD GLU A 88 15.509 -0.610 5.092 1.00 0.00 C ATOM 1239 OE1 GLU A 88 15.672 -0.785 3.866 1.00 0.00 O ATOM 1240 OE2 GLU A 88 16.065 0.266 5.789 1.00 0.00 O ATOM 0 H GLU A 88 10.911 -2.005 5.520 1.00 0.00 H new ATOM 0 HA GLU A 88 12.702 0.061 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.791 -2.721 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.648 -2.110 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.215 -1.105 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.049 -2.484 6.058 1.00 0.00 H new ATOM 1247 N ALA A 89 11.874 -0.643 2.519 1.00 0.00 N ATOM 1248 CA ALA A 89 11.858 -0.113 1.166 1.00 0.00 C ATOM 1249 C ALA A 89 11.447 1.360 1.205 1.00 0.00 C ATOM 1250 O ALA A 89 12.085 2.204 0.577 1.00 0.00 O ATOM 1251 CB ALA A 89 10.923 -0.957 0.298 1.00 0.00 C ATOM 0 H ALA A 89 11.426 -1.553 2.626 1.00 0.00 H new ATOM 0 HA ALA A 89 12.852 -0.166 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.911 -0.559 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.276 -1.988 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.915 -0.926 0.712 1.00 0.00 H new ATOM 1257 N LEU A 90 10.382 1.625 1.948 1.00 0.00 N ATOM 1258 CA LEU A 90 9.878 2.982 2.077 1.00 0.00 C ATOM 1259 C LEU A 90 10.921 3.843 2.791 1.00 0.00 C ATOM 1260 O LEU A 90 11.253 4.934 2.328 1.00 0.00 O ATOM 1261 CB LEU A 90 8.509 2.982 2.760 1.00 0.00 C ATOM 1262 CG LEU A 90 7.326 2.551 1.890 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.121 2.172 2.753 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.978 3.631 0.863 1.00 0.00 C ATOM 0 H LEU A 90 9.854 0.923 2.467 1.00 0.00 H new ATOM 0 HA LEU A 90 9.718 3.424 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.557 2.322 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.312 3.986 3.135 1.00 0.00 H new ATOM 0 HG LEU A 90 7.618 1.660 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.294 1.870 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.390 1.346 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.819 3.030 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.134 3.299 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.713 4.553 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.838 3.811 0.218 1.00 0.00 H new ATOM 1276 N ARG A 91 11.410 3.321 3.907 1.00 0.00 N ATOM 1277 CA ARG A 91 12.409 4.029 4.689 1.00 0.00 C ATOM 1278 C ARG A 91 13.572 4.464 3.796 1.00 0.00 C ATOM 1279 O ARG A 91 14.101 5.564 3.951 1.00 0.00 O ATOM 1280 CB ARG A 91 12.944 3.151 5.822 1.00 0.00 C ATOM 1281 CG ARG A 91 12.169 3.395 7.118 1.00 0.00 C ATOM 1282 CD ARG A 91 11.792 2.072 7.789 1.00 0.00 C ATOM 1283 NE ARG A 91 12.508 1.936 9.077 1.00 0.00 N ATOM 1284 CZ ARG A 91 13.824 1.707 9.185 1.00 0.00 C ATOM 1285 NH1 ARG A 91 14.576 1.586 8.082 1.00 0.00 N ATOM 1286 NH2 ARG A 91 14.388 1.598 10.396 1.00 0.00 N ATOM 0 H ARG A 91 11.133 2.416 4.288 1.00 0.00 H new ATOM 0 HA ARG A 91 11.931 4.908 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.867 2.101 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.002 3.361 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.773 3.994 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.267 3.968 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.716 2.033 7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.043 1.238 7.134 1.00 0.00 H new ATOM 0 HE ARG A 91 11.966 2.022 9.937 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.147 1.668 7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.578 1.412 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.816 1.689 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.390 1.424 10.478 1.00 0.00 H new ATOM 1300 N GLY A 92 13.937 3.578 2.881 1.00 0.00 N ATOM 1301 CA GLY A 92 15.029 3.857 1.963 1.00 0.00 C ATOM 1302 C GLY A 92 14.513 4.512 0.680 1.00 0.00 C ATOM 1303 O GLY A 92 14.210 3.825 -0.294 1.00 0.00 O ATOM 0 H GLY A 92 13.496 2.667 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.755 4.513 2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.549 2.931 1.719 1.00 0.00 H new ATOM 1307 N ALA A 93 14.428 5.833 0.722 1.00 0.00 N ATOM 1308 CA ALA A 93 13.953 6.589 -0.425 1.00 0.00 C ATOM 1309 C ALA A 93 14.125 8.085 -0.151 1.00 0.00 C ATOM 1310 O ALA A 93 13.913 8.543 0.971 1.00 0.00 O ATOM 1311 CB ALA A 93 12.499 6.214 -0.718 1.00 0.00 C ATOM 0 H ALA A 93 14.680 6.400 1.532 1.00 0.00 H new ATOM 0 HA ALA A 93 14.537 6.346 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.143 6.781 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.435 5.148 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.882 6.446 0.150 1.00 0.00 H new ATOM 1317 N GLY A 94 14.509 8.805 -1.195 1.00 0.00 N ATOM 1318 CA GLY A 94 14.712 10.239 -1.081 1.00 0.00 C ATOM 1319 C GLY A 94 13.383 10.990 -1.182 1.00 0.00 C ATOM 1320 O GLY A 94 12.316 10.378 -1.167 1.00 0.00 O ATOM 0 H GLY A 94 14.685 8.422 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.192 10.468 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.386 10.578 -1.867 1.00 0.00 H new ATOM 1324 N THR A 95 13.490 12.307 -1.282 1.00 0.00 N ATOM 1325 CA THR A 95 12.311 13.149 -1.385 1.00 0.00 C ATOM 1326 C THR A 95 11.257 12.484 -2.274 1.00 0.00 C ATOM 1327 O THR A 95 10.302 11.893 -1.774 1.00 0.00 O ATOM 1328 CB THR A 95 12.753 14.523 -1.891 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.315 14.257 -3.173 1.00 0.00 O ATOM 1330 CG2 THR A 95 13.919 15.097 -1.084 1.00 0.00 C ATOM 0 H THR A 95 14.376 12.812 -1.294 1.00 0.00 H new ATOM 0 HA THR A 95 11.835 13.283 -0.414 1.00 0.00 H new ATOM 0 HB THR A 95 11.910 15.213 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.626 15.095 -3.574 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.193 16.073 -1.485 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.622 15.203 -0.041 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.774 14.424 -1.151 1.00 0.00 H new ATOM 1338 N ALA A 96 11.468 12.604 -3.576 1.00 0.00 N ATOM 1339 CA ALA A 96 10.548 12.022 -4.539 1.00 0.00 C ATOM 1340 C ALA A 96 10.599 10.497 -4.430 1.00 0.00 C ATOM 1341 O ALA A 96 11.581 9.874 -4.833 1.00 0.00 O ATOM 1342 CB ALA A 96 10.899 12.518 -5.944 1.00 0.00 C ATOM 0 H ALA A 96 12.262 13.095 -3.987 1.00 0.00 H new ATOM 0 HA ALA A 96 9.525 12.333 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.209 12.082 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.820 13.605 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.918 12.221 -6.191 1.00 0.00 H new ATOM 1348 N VAL A 97 9.530 9.939 -3.882 1.00 0.00 N ATOM 1349 CA VAL A 97 9.440 8.498 -3.714 1.00 0.00 C ATOM 1350 C VAL A 97 8.464 7.929 -4.745 1.00 0.00 C ATOM 1351 O VAL A 97 7.272 8.234 -4.712 1.00 0.00 O ATOM 1352 CB VAL A 97 9.051 8.163 -2.273 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.748 6.671 -2.121 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.141 8.603 -1.294 1.00 0.00 C ATOM 0 H VAL A 97 8.718 10.459 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 97 10.409 8.031 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 97 8.143 8.716 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.474 6.459 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.922 6.399 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.631 6.091 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.839 8.353 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.073 8.090 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.289 9.680 -1.374 1.00 0.00 H new ATOM 1364 N GLN A 98 9.004 7.111 -5.637 1.00 0.00 N ATOM 1365 CA GLN A 98 8.195 6.497 -6.676 1.00 0.00 C ATOM 1366 C GLN A 98 7.713 5.116 -6.226 1.00 0.00 C ATOM 1367 O GLN A 98 8.504 4.305 -5.746 1.00 0.00 O ATOM 1368 CB GLN A 98 8.970 6.405 -7.992 1.00 0.00 C ATOM 1369 CG GLN A 98 8.073 6.752 -9.182 1.00 0.00 C ATOM 1370 CD GLN A 98 8.676 6.239 -10.491 1.00 0.00 C ATOM 1371 OE1 GLN A 98 8.916 5.056 -10.672 1.00 0.00 O ATOM 1372 NE2 GLN A 98 8.907 7.191 -11.390 1.00 0.00 N ATOM 0 H GLN A 98 9.992 6.859 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 98 7.322 7.127 -6.850 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.822 7.084 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.368 5.398 -8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.085 6.315 -9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.939 7.832 -9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.682 8.162 -11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 98 9.309 6.950 -12.296 1.00 0.00 H new ATOM 1381 N MET A 99 6.419 4.892 -6.396 1.00 0.00 N ATOM 1382 CA MET A 99 5.822 3.624 -6.013 1.00 0.00 C ATOM 1383 C MET A 99 4.920 3.084 -7.125 1.00 0.00 C ATOM 1384 O MET A 99 3.981 3.757 -7.548 1.00 0.00 O ATOM 1385 CB MET A 99 5.002 3.810 -4.735 1.00 0.00 C ATOM 1386 CG MET A 99 5.903 4.175 -3.554 1.00 0.00 C ATOM 1387 SD MET A 99 5.227 3.510 -2.042 1.00 0.00 S ATOM 1388 CE MET A 99 4.682 5.017 -1.256 1.00 0.00 C ATOM 0 H MET A 99 5.767 5.567 -6.794 1.00 0.00 H new ATOM 0 HA MET A 99 6.623 2.905 -5.839 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.259 4.593 -4.886 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.457 2.893 -4.512 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.907 3.782 -3.717 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.993 5.258 -3.476 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.463 4.821 -0.206 1.00 0.00 H new ATOM 0 HE2 MET A 99 5.467 5.770 -1.329 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.782 5.381 -1.752 1.00 0.00 H new ATOM 1398 N ARG A 100 5.237 1.876 -7.567 1.00 0.00 N ATOM 1399 CA ARG A 100 4.466 1.239 -8.621 1.00 0.00 C ATOM 1400 C ARG A 100 3.289 0.465 -8.025 1.00 0.00 C ATOM 1401 O ARG A 100 3.473 -0.608 -7.452 1.00 0.00 O ATOM 1402 CB ARG A 100 5.337 0.281 -9.437 1.00 0.00 C ATOM 1403 CG ARG A 100 4.588 -0.223 -10.673 1.00 0.00 C ATOM 1404 CD ARG A 100 5.386 -1.314 -11.390 1.00 0.00 C ATOM 1405 NE ARG A 100 5.809 -0.835 -12.725 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.358 -1.617 -13.664 1.00 0.00 C ATOM 1407 NH1 ARG A 100 6.553 -2.921 -13.421 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.712 -1.097 -14.847 1.00 0.00 N ATOM 0 H ARG A 100 6.017 1.322 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 100 4.092 2.023 -9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.252 0.787 -9.743 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.633 -0.565 -8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.614 -0.614 -10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.405 0.607 -11.356 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.260 -1.586 -10.798 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.778 -2.213 -11.493 1.00 0.00 H new ATOM 0 HE ARG A 100 5.674 0.152 -12.944 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.283 -3.318 -12.521 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.971 -3.516 -14.136 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.564 -0.105 -15.033 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.130 -1.693 -15.562 1.00 0.00 H new ATOM 1422 N VAL A 101 2.105 1.040 -8.180 1.00 0.00 N ATOM 1423 CA VAL A 101 0.898 0.417 -7.664 1.00 0.00 C ATOM 1424 C VAL A 101 0.142 -0.250 -8.814 1.00 0.00 C ATOM 1425 O VAL A 101 0.292 0.141 -9.970 1.00 0.00 O ATOM 1426 CB VAL A 101 0.055 1.452 -6.915 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.810 2.001 -5.703 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.382 2.583 -7.848 1.00 0.00 C ATOM 0 H VAL A 101 1.956 1.930 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 101 1.148 -0.362 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.843 0.952 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.189 2.734 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.047 1.184 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.733 2.476 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.979 3.304 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.499 3.079 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.977 2.172 -8.664 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.654 -1.247 -8.457 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.434 -1.973 -9.445 1.00 0.00 C ATOM 1440 C TRP A 102 -2.912 -1.660 -9.204 1.00 0.00 C ATOM 1441 O TRP A 102 -3.410 -1.819 -8.090 1.00 0.00 O ATOM 1442 CB TRP A 102 -1.124 -3.471 -9.395 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.563 -4.239 -10.644 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.264 -3.973 -11.923 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.397 -5.416 -10.681 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.842 -4.890 -12.778 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.553 -5.794 -11.999 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -3.000 -6.136 -9.635 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.309 -6.905 -12.393 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.753 -7.243 -10.046 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.919 -7.638 -11.368 1.00 0.00 C ATOM 0 H TRP A 102 -0.776 -1.569 -7.497 1.00 0.00 H new ATOM 0 HA TRP A 102 -1.171 -1.655 -10.454 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -0.051 -3.605 -9.257 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.614 -3.904 -8.523 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.649 -3.146 -12.244 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.762 -4.902 -13.795 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.891 -5.858 -8.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.416 -7.181 -13.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.239 -7.831 -9.282 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.516 -8.507 -11.604 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.572 -1.222 -10.265 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.983 -0.885 -10.183 1.00 0.00 C ATOM 1464 C ARG A 103 -5.630 -0.964 -11.567 1.00 0.00 C ATOM 1465 O ARG A 103 -4.947 -0.842 -12.583 1.00 0.00 O ATOM 1466 CB ARG A 103 -5.182 0.522 -9.615 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.651 0.770 -9.266 1.00 0.00 C ATOM 1468 CD ARG A 103 -6.843 2.163 -8.664 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.894 2.075 -7.187 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.907 1.528 -6.502 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -8.960 1.019 -7.155 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -7.867 1.492 -5.163 1.00 0.00 N ATOM 0 H ARG A 103 -3.156 -1.092 -11.187 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.456 -1.605 -9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.567 0.649 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.847 1.262 -10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.263 0.669 -10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.993 0.014 -8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.025 2.816 -8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.764 2.607 -9.042 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.109 2.455 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.991 1.048 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.731 0.603 -6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.066 1.881 -4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.638 1.076 -4.641 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.939 -1.169 -11.563 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.685 -1.266 -12.806 1.00 0.00 C ATOM 1488 C GLU A 104 -8.203 0.112 -13.223 1.00 0.00 C ATOM 1489 O GLU A 104 -8.758 0.844 -12.405 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.834 -2.268 -12.680 1.00 0.00 C ATOM 1491 CG GLU A 104 -9.480 -2.537 -14.040 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.960 -2.150 -14.031 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.627 -2.482 -13.027 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -11.391 -1.531 -15.027 1.00 0.00 O ATOM 0 H GLU A 104 -7.502 -1.271 -10.719 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.013 -1.631 -13.583 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.462 -3.202 -12.259 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.583 -1.883 -11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.958 -1.973 -14.813 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.378 -3.592 -14.292 1.00 0.00 H new