USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 646 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 HIS :FLIP no HD1:sc= -0.0394 F(o=-0.67,f=-0.039) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.993) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.183 F(o=-1.2,f=-0.18) USER MOD Single : A 37 SER OG : rot 180:sc= -0.124 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.884 K(o=-0.88,f=-8.6!) USER MOD Single : A 55 THR OG1 : rot -43:sc= 0.665 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -29:sc= 0.524 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -54:sc= 0.439 USER MOD Single : A 70 ASN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -18.9! C(o=-19!,f=-19!) USER MOD Single : A 79 THR OG1 : rot 95:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.764 -0.365 -0.177 1.00 0.00 N ATOM 100 CA GLY A 10 14.465 -0.018 1.045 1.00 0.00 C ATOM 101 C GLY A 10 13.886 1.211 1.718 1.00 0.00 C ATOM 102 O GLY A 10 13.111 1.100 2.669 1.00 0.00 O ATOM 0 HA2 GLY A 10 14.423 -0.860 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.517 0.157 0.819 1.00 0.00 H new ATOM 106 N LEU A 11 14.263 2.386 1.225 1.00 0.00 N ATOM 107 CA LEU A 11 13.776 3.642 1.786 1.00 0.00 C ATOM 108 C LEU A 11 12.328 3.508 2.246 1.00 0.00 C ATOM 109 O LEU A 11 11.912 4.146 3.214 1.00 0.00 O ATOM 110 CB LEU A 11 13.894 4.763 0.752 1.00 0.00 C ATOM 111 CG LEU A 11 12.664 4.999 -0.125 1.00 0.00 C ATOM 112 CD1 LEU A 11 12.685 6.404 -0.708 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.593 3.960 -1.235 1.00 0.00 C ATOM 0 H LEU A 11 14.904 2.495 0.439 1.00 0.00 H new ATOM 0 HA LEU A 11 14.391 3.888 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.125 5.690 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.742 4.544 0.103 1.00 0.00 H new ATOM 0 HG LEU A 11 11.774 4.899 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.802 6.553 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.687 7.134 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.581 6.533 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.711 4.143 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.487 4.028 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.529 2.964 -0.797 1.00 0.00 H new ATOM 125 N LEU A 12 11.566 2.674 1.548 1.00 0.00 N ATOM 126 CA LEU A 12 10.164 2.454 1.886 1.00 0.00 C ATOM 127 C LEU A 12 9.946 2.549 3.393 1.00 0.00 C ATOM 128 O LEU A 12 9.205 3.409 3.871 1.00 0.00 O ATOM 129 CB LEU A 12 9.704 1.087 1.378 1.00 0.00 C ATOM 130 CG LEU A 12 9.157 1.050 -0.049 1.00 0.00 C ATOM 131 CD1 LEU A 12 7.813 1.758 -0.123 1.00 0.00 C ATOM 132 CD2 LEU A 12 10.148 1.680 -1.017 1.00 0.00 C ATOM 0 H LEU A 12 11.895 2.139 0.744 1.00 0.00 H new ATOM 0 HA LEU A 12 9.573 3.232 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.545 0.397 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.933 0.712 2.051 1.00 0.00 H new ATOM 0 HG LEU A 12 9.013 0.008 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.439 1.722 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.104 1.263 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.932 2.797 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.742 1.645 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.325 2.717 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.088 1.130 -0.984 1.00 0.00 H new ATOM 144 N VAL A 13 10.598 1.662 4.137 1.00 0.00 N ATOM 145 CA VAL A 13 10.479 1.648 5.590 1.00 0.00 C ATOM 146 C VAL A 13 11.033 2.930 6.200 1.00 0.00 C ATOM 147 O VAL A 13 10.463 3.478 7.144 1.00 0.00 O ATOM 148 CB VAL A 13 11.215 0.441 6.202 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.489 -0.853 5.869 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.656 0.395 5.716 1.00 0.00 C ATOM 0 H VAL A 13 11.214 0.943 3.757 1.00 0.00 H new ATOM 0 HA VAL A 13 9.416 1.571 5.819 1.00 0.00 H new ATOM 0 HB VAL A 13 11.224 0.554 7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.024 -1.694 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.477 -0.816 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.445 -0.978 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.162 -0.464 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.671 0.306 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.169 1.310 6.012 1.00 0.00 H new ATOM 160 N HIS A 14 12.148 3.405 5.654 1.00 0.00 N ATOM 161 CA HIS A 14 12.780 4.625 6.143 1.00 0.00 C ATOM 162 C HIS A 14 11.836 5.817 6.009 1.00 0.00 C ATOM 163 O HIS A 14 11.355 6.357 7.005 1.00 0.00 O ATOM 164 CB HIS A 14 14.075 4.897 5.378 1.00 0.00 C ATOM 165 CG HIS A 14 15.104 3.821 5.541 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.222 2.610 4.947 1.00 0.00 N flip ATOM 167 CD2 HIS A 14 16.174 3.928 6.405 1.00 0.00 C flip ATOM 168 CE1 HIS A 14 16.349 2.015 5.457 1.00 0.00 C flip ATOM 169 NE2 HIS A 14 16.906 2.831 6.334 1.00 0.00 N flip ATOM 0 H HIS A 14 12.632 2.963 4.873 1.00 0.00 H new ATOM 0 HA HIS A 14 13.014 4.485 7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.845 5.011 4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.495 5.844 5.716 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.381 4.776 7.040 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.720 1.038 5.185 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.756 2.645 6.866 1.00 0.00 H new ATOM 178 N LYS A 15 11.577 6.224 4.771 1.00 0.00 N ATOM 179 CA LYS A 15 10.691 7.351 4.505 1.00 0.00 C ATOM 180 C LYS A 15 9.272 7.051 4.977 1.00 0.00 C ATOM 181 O LYS A 15 8.754 5.957 4.758 1.00 0.00 O ATOM 182 CB LYS A 15 10.684 7.679 3.010 1.00 0.00 C ATOM 183 CG LYS A 15 9.587 8.648 2.606 1.00 0.00 C ATOM 184 CD LYS A 15 9.364 8.642 1.102 1.00 0.00 C ATOM 185 CE LYS A 15 8.612 9.882 0.645 1.00 0.00 C ATOM 186 NZ LYS A 15 8.779 10.125 -0.815 1.00 0.00 N ATOM 0 H LYS A 15 11.969 5.790 3.935 1.00 0.00 H new ATOM 0 HA LYS A 15 11.064 8.213 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.650 8.102 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.567 6.755 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.660 8.382 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.851 9.654 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.325 8.589 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.804 7.751 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.553 9.770 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.969 10.749 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.198 10.939 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.779 10.324 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.478 9.282 -1.344 1.00 0.00 H new ATOM 200 N ALA A 16 8.649 8.031 5.624 1.00 0.00 N ATOM 201 CA ALA A 16 7.289 7.872 6.124 1.00 0.00 C ATOM 202 C ALA A 16 6.332 7.494 4.998 1.00 0.00 C ATOM 203 O ALA A 16 6.363 8.084 3.918 1.00 0.00 O ATOM 204 CB ALA A 16 6.825 9.150 6.806 1.00 0.00 C ATOM 0 H ALA A 16 9.065 8.943 5.814 1.00 0.00 H new ATOM 0 HA ALA A 16 7.288 7.063 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.808 9.017 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.487 9.377 7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.847 9.973 6.091 1.00 0.00 H new ATOM 210 N VAL A 17 5.482 6.506 5.258 1.00 0.00 N ATOM 211 CA VAL A 17 4.515 6.049 4.267 1.00 0.00 C ATOM 212 C VAL A 17 3.529 7.155 3.910 1.00 0.00 C ATOM 213 O VAL A 17 3.018 7.208 2.791 1.00 0.00 O ATOM 214 CB VAL A 17 3.732 4.822 4.771 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.607 4.473 3.808 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.666 3.637 4.965 1.00 0.00 C ATOM 0 H VAL A 17 5.443 6.007 6.147 1.00 0.00 H new ATOM 0 HA VAL A 17 5.081 5.770 3.378 1.00 0.00 H new ATOM 0 HB VAL A 17 3.288 5.067 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.065 3.604 4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.924 5.318 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.025 4.247 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.096 2.779 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.141 3.388 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.432 3.893 5.697 1.00 0.00 H new ATOM 226 N ASP A 18 3.266 8.038 4.868 1.00 0.00 N ATOM 227 CA ASP A 18 2.342 9.146 4.655 1.00 0.00 C ATOM 228 C ASP A 18 2.930 10.163 3.681 1.00 0.00 C ATOM 229 O ASP A 18 2.293 11.165 3.355 1.00 0.00 O ATOM 230 CB ASP A 18 2.012 9.825 5.984 1.00 0.00 C ATOM 231 CG ASP A 18 2.966 10.958 6.308 1.00 0.00 C ATOM 232 OD1 ASP A 18 4.149 10.675 6.589 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.529 12.128 6.281 1.00 0.00 O ATOM 0 H ASP A 18 3.680 8.008 5.800 1.00 0.00 H new ATOM 0 HA ASP A 18 1.425 8.745 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.993 10.211 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.045 9.086 6.784 1.00 0.00 H new ATOM 238 N LYS A 19 4.148 9.899 3.221 1.00 0.00 N ATOM 239 CA LYS A 19 4.822 10.791 2.285 1.00 0.00 C ATOM 240 C LYS A 19 5.001 10.119 0.927 1.00 0.00 C ATOM 241 O LYS A 19 5.514 10.726 -0.013 1.00 0.00 O ATOM 242 CB LYS A 19 6.185 11.211 2.841 1.00 0.00 C ATOM 243 CG LYS A 19 6.138 12.485 3.667 1.00 0.00 C ATOM 244 CD LYS A 19 5.530 12.239 5.037 1.00 0.00 C ATOM 245 CE LYS A 19 5.825 13.386 5.992 1.00 0.00 C ATOM 246 NZ LYS A 19 4.959 14.567 5.723 1.00 0.00 N ATOM 0 H LYS A 19 4.689 9.074 3.481 1.00 0.00 H new ATOM 0 HA LYS A 19 4.201 11.677 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.582 10.403 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.879 11.351 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.146 12.883 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.555 13.240 3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.452 12.113 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.924 11.310 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.675 13.052 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.872 13.675 5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.190 15.327 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.120 14.902 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.961 14.298 5.835 1.00 0.00 H new ATOM 260 N TRP A 20 4.572 8.866 0.831 1.00 0.00 N ATOM 261 CA TRP A 20 4.683 8.114 -0.413 1.00 0.00 C ATOM 262 C TRP A 20 3.826 8.741 -1.507 1.00 0.00 C ATOM 263 O TRP A 20 2.925 9.531 -1.227 1.00 0.00 O ATOM 264 CB TRP A 20 4.266 6.659 -0.192 1.00 0.00 C ATOM 265 CG TRP A 20 5.205 5.900 0.696 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.328 6.383 1.305 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.104 4.523 1.073 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.931 5.389 2.037 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.199 4.238 1.913 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.193 3.502 0.785 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.406 2.977 2.464 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.401 2.251 1.333 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.499 1.997 2.165 1.00 0.00 C ATOM 0 H TRP A 20 4.144 8.350 1.600 1.00 0.00 H new ATOM 0 HA TRP A 20 5.724 8.142 -0.733 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.267 6.637 0.244 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.203 6.156 -1.157 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.689 7.398 1.223 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.786 5.492 2.584 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.342 3.688 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.252 2.779 3.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.705 1.455 1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.632 1.008 2.579 1.00 0.00 H new ATOM 284 N THR A 21 4.112 8.383 -2.755 1.00 0.00 N ATOM 285 CA THR A 21 3.368 8.912 -3.891 1.00 0.00 C ATOM 286 C THR A 21 2.643 7.799 -4.640 1.00 0.00 C ATOM 287 O THR A 21 3.028 6.631 -4.563 1.00 0.00 O ATOM 288 CB THR A 21 4.293 9.656 -4.872 1.00 0.00 C ATOM 289 OG1 THR A 21 5.443 8.855 -5.165 1.00 0.00 O ATOM 290 CG2 THR A 21 4.734 10.992 -4.292 1.00 0.00 C ATOM 0 H THR A 21 4.854 7.729 -3.004 1.00 0.00 H new ATOM 0 HA THR A 21 2.637 9.614 -3.490 1.00 0.00 H new ATOM 0 HB THR A 21 3.737 9.842 -5.791 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.025 9.335 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.387 11.499 -5.002 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.858 11.611 -4.097 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.274 10.824 -3.360 1.00 0.00 H new ATOM 298 N THR A 22 1.592 8.166 -5.365 1.00 0.00 N ATOM 299 CA THR A 22 0.813 7.199 -6.128 1.00 0.00 C ATOM 300 C THR A 22 1.712 6.134 -6.746 1.00 0.00 C ATOM 301 O THR A 22 1.282 5.005 -6.978 1.00 0.00 O ATOM 302 CB THR A 22 0.004 7.884 -7.245 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.469 9.159 -6.796 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.174 7.020 -7.668 1.00 0.00 C ATOM 0 H THR A 22 1.260 9.128 -5.440 1.00 0.00 H new ATOM 0 HA THR A 22 0.123 6.727 -5.428 1.00 0.00 H new ATOM 0 HB THR A 22 0.659 8.023 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.981 9.589 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.730 7.525 -8.458 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.808 6.062 -8.037 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.829 6.853 -6.813 1.00 0.00 H new ATOM 312 N GLU A 23 2.962 6.502 -7.009 1.00 0.00 N ATOM 313 CA GLU A 23 3.921 5.577 -7.601 1.00 0.00 C ATOM 314 C GLU A 23 4.473 4.618 -6.550 1.00 0.00 C ATOM 315 O GLU A 23 4.383 3.400 -6.698 1.00 0.00 O ATOM 316 CB GLU A 23 5.069 6.347 -8.257 1.00 0.00 C ATOM 317 CG GLU A 23 5.686 5.627 -9.444 1.00 0.00 C ATOM 318 CD GLU A 23 6.513 6.548 -10.320 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.594 6.983 -9.871 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.078 6.833 -11.455 1.00 0.00 O ATOM 0 H GLU A 23 3.334 7.433 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 23 3.402 4.995 -8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.702 7.320 -8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.843 6.532 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.315 4.813 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.894 5.177 -10.043 1.00 0.00 H new ATOM 327 N GLU A 24 5.043 5.179 -5.488 1.00 0.00 N ATOM 328 CA GLU A 24 5.611 4.374 -4.412 1.00 0.00 C ATOM 329 C GLU A 24 4.542 3.495 -3.769 1.00 0.00 C ATOM 330 O GLU A 24 4.774 2.318 -3.491 1.00 0.00 O ATOM 331 CB GLU A 24 6.251 5.275 -3.354 1.00 0.00 C ATOM 332 CG GLU A 24 7.443 6.064 -3.868 1.00 0.00 C ATOM 333 CD GLU A 24 8.272 6.663 -2.748 1.00 0.00 C ATOM 334 OE1 GLU A 24 9.168 5.962 -2.234 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.025 7.833 -2.386 1.00 0.00 O ATOM 0 H GLU A 24 5.124 6.186 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 24 6.378 3.729 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.500 5.970 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.568 4.662 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.073 5.411 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.091 6.862 -4.522 1.00 0.00 H new ATOM 342 N VAL A 25 3.369 4.076 -3.534 1.00 0.00 N ATOM 343 CA VAL A 25 2.264 3.346 -2.923 1.00 0.00 C ATOM 344 C VAL A 25 2.050 2.000 -3.606 1.00 0.00 C ATOM 345 O VAL A 25 1.962 0.964 -2.947 1.00 0.00 O ATOM 346 CB VAL A 25 0.955 4.156 -2.986 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.228 3.290 -2.581 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.050 5.391 -2.103 1.00 0.00 C ATOM 0 H VAL A 25 3.160 5.049 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 25 2.531 3.181 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 25 0.799 4.484 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.144 3.879 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.305 2.440 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.084 2.930 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.117 5.951 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.229 5.088 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.872 6.020 -2.444 1.00 0.00 H new ATOM 358 N VAL A 26 1.967 2.023 -4.933 1.00 0.00 N ATOM 359 CA VAL A 26 1.765 0.804 -5.707 1.00 0.00 C ATOM 360 C VAL A 26 3.016 -0.066 -5.699 1.00 0.00 C ATOM 361 O VAL A 26 2.932 -1.295 -5.694 1.00 0.00 O ATOM 362 CB VAL A 26 1.383 1.122 -7.165 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.289 -0.157 -7.983 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.073 1.894 -7.216 1.00 0.00 C ATOM 0 H VAL A 26 2.037 2.872 -5.494 1.00 0.00 H new ATOM 0 HA VAL A 26 0.946 0.261 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 26 2.164 1.747 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.018 0.087 -9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.252 -0.667 -7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.529 -0.809 -7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.182 2.110 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.719 1.297 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.180 2.829 -6.666 1.00 0.00 H new ATOM 374 N LEU A 27 4.178 0.578 -5.698 1.00 0.00 N ATOM 375 CA LEU A 27 5.450 -0.137 -5.690 1.00 0.00 C ATOM 376 C LEU A 27 5.570 -1.021 -4.452 1.00 0.00 C ATOM 377 O LEU A 27 5.866 -2.211 -4.554 1.00 0.00 O ATOM 378 CB LEU A 27 6.614 0.854 -5.738 1.00 0.00 C ATOM 379 CG LEU A 27 7.113 1.236 -7.132 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.290 2.194 -7.034 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.500 -0.008 -7.919 1.00 0.00 C ATOM 0 H LEU A 27 4.266 1.594 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 27 5.487 -0.774 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.312 1.764 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.448 0.431 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 27 6.304 1.740 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.631 2.455 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.981 3.098 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.103 1.717 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.853 0.283 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.293 -0.539 -7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.632 -0.659 -8.020 1.00 0.00 H new ATOM 393 N TRP A 28 5.336 -0.431 -3.286 1.00 0.00 N ATOM 394 CA TRP A 28 5.416 -1.165 -2.028 1.00 0.00 C ATOM 395 C TRP A 28 4.491 -2.377 -2.046 1.00 0.00 C ATOM 396 O TRP A 28 4.848 -3.451 -1.560 1.00 0.00 O ATOM 397 CB TRP A 28 5.057 -0.251 -0.856 1.00 0.00 C ATOM 398 CG TRP A 28 4.652 -0.999 0.379 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.482 -1.533 1.322 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.317 -1.297 0.801 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.744 -2.145 2.306 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.413 -2.014 2.010 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.050 -1.027 0.277 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.290 -2.463 2.700 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.937 -1.474 0.963 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.062 -2.184 2.164 1.00 0.00 C ATOM 0 H TRP A 28 5.089 0.554 -3.185 1.00 0.00 H new ATOM 0 HA TRP A 28 6.441 -1.515 -1.905 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.913 0.383 -0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.243 0.409 -1.156 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.561 -1.482 1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.125 -2.620 3.124 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.943 -0.479 -0.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.385 -3.012 3.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.047 -1.272 0.566 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.172 -2.518 2.677 1.00 0.00 H new ATOM 417 N LEU A 29 3.301 -2.199 -2.609 1.00 0.00 N ATOM 418 CA LEU A 29 2.324 -3.279 -2.691 1.00 0.00 C ATOM 419 C LEU A 29 2.739 -4.312 -3.733 1.00 0.00 C ATOM 420 O LEU A 29 2.377 -5.484 -3.638 1.00 0.00 O ATOM 421 CB LEU A 29 0.942 -2.719 -3.034 1.00 0.00 C ATOM 422 CG LEU A 29 -0.109 -3.742 -3.464 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.737 -4.406 -2.249 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.176 -3.081 -4.324 1.00 0.00 C ATOM 0 H LEU A 29 2.989 -1.317 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 29 2.280 -3.769 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.563 -2.183 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.057 -1.988 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 29 0.383 -4.512 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.483 -5.131 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.036 -4.915 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.215 -3.649 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.916 -3.824 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.664 -2.290 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.713 -2.654 -5.214 1.00 0.00 H new ATOM 436 N GLU A 30 3.504 -3.869 -4.726 1.00 0.00 N ATOM 437 CA GLU A 30 3.970 -4.756 -5.786 1.00 0.00 C ATOM 438 C GLU A 30 5.111 -5.640 -5.292 1.00 0.00 C ATOM 439 O GLU A 30 5.714 -6.382 -6.067 1.00 0.00 O ATOM 440 CB GLU A 30 4.428 -3.942 -6.998 1.00 0.00 C ATOM 441 CG GLU A 30 3.311 -3.632 -7.980 1.00 0.00 C ATOM 442 CD GLU A 30 3.826 -3.069 -9.290 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.140 -1.861 -9.333 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.914 -3.835 -10.272 1.00 0.00 O ATOM 0 H GLU A 30 3.814 -2.902 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 30 3.139 -5.396 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.866 -3.006 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.215 -4.490 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.743 -4.541 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.622 -2.918 -7.528 1.00 0.00 H new ATOM 451 N GLN A 31 5.401 -5.554 -3.998 1.00 0.00 N ATOM 452 CA GLN A 31 6.471 -6.345 -3.401 1.00 0.00 C ATOM 453 C GLN A 31 5.902 -7.444 -2.509 1.00 0.00 C ATOM 454 O GLN A 31 6.541 -8.475 -2.293 1.00 0.00 O ATOM 455 CB GLN A 31 7.406 -5.447 -2.590 1.00 0.00 C ATOM 456 CG GLN A 31 8.399 -4.674 -3.443 1.00 0.00 C ATOM 457 CD GLN A 31 9.151 -3.621 -2.654 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.591 -2.418 -2.589 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.223 -3.884 -2.109 1.00 0.00 N flip ATOM 0 H GLN A 31 4.911 -4.945 -3.343 1.00 0.00 H new ATOM 0 HA GLN A 31 7.037 -6.812 -4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.808 -4.741 -2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.954 -6.060 -1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.112 -5.370 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.869 -4.196 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.617 -4.822 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.717 -3.164 -1.582 1.00 0.00 H new ATOM 468 N LEU A 32 4.699 -7.218 -1.994 1.00 0.00 N ATOM 469 CA LEU A 32 4.044 -8.190 -1.125 1.00 0.00 C ATOM 470 C LEU A 32 3.665 -9.447 -1.902 1.00 0.00 C ATOM 471 O LEU A 32 3.604 -10.540 -1.341 1.00 0.00 O ATOM 472 CB LEU A 32 2.796 -7.574 -0.489 1.00 0.00 C ATOM 473 CG LEU A 32 2.886 -6.090 -0.135 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.639 -5.642 0.612 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.134 -5.813 0.692 1.00 0.00 C ATOM 0 H LEU A 32 4.157 -6.371 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 32 4.746 -8.469 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.958 -7.714 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.563 -8.130 0.419 1.00 0.00 H new ATOM 0 HG LEU A 32 2.954 -5.519 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.722 -4.583 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.762 -5.803 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.539 -6.219 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.181 -4.751 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.097 -6.395 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.019 -6.094 0.121 1.00 0.00 H new ATOM 487 N GLY A 33 3.413 -9.283 -3.197 1.00 0.00 N ATOM 488 CA GLY A 33 3.045 -10.413 -4.030 1.00 0.00 C ATOM 489 C GLY A 33 2.744 -10.006 -5.459 1.00 0.00 C ATOM 490 O GLY A 33 2.533 -8.831 -5.761 1.00 0.00 O ATOM 0 H GLY A 33 3.457 -8.388 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.855 -11.142 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.171 -10.905 -3.604 1.00 0.00 H new ATOM 494 N PRO A 34 2.721 -10.993 -6.367 1.00 0.00 N ATOM 495 CA PRO A 34 2.445 -10.755 -7.787 1.00 0.00 C ATOM 496 C PRO A 34 0.994 -10.360 -8.037 1.00 0.00 C ATOM 497 O PRO A 34 0.677 -9.739 -9.052 1.00 0.00 O ATOM 498 CB PRO A 34 2.751 -12.107 -8.438 1.00 0.00 C ATOM 499 CG PRO A 34 2.554 -13.105 -7.350 1.00 0.00 C ATOM 500 CD PRO A 34 2.963 -12.416 -6.078 1.00 0.00 C ATOM 0 HA PRO A 34 3.036 -9.930 -8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.085 -12.301 -9.279 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.770 -12.139 -8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.515 -13.429 -7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.158 -13.996 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.373 -12.759 -5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.009 -12.605 -5.837 1.00 0.00 H new ATOM 508 N TRP A 35 0.119 -10.721 -7.107 1.00 0.00 N ATOM 509 CA TRP A 35 -1.300 -10.403 -7.227 1.00 0.00 C ATOM 510 C TRP A 35 -1.537 -8.905 -7.067 1.00 0.00 C ATOM 511 O TRP A 35 -2.603 -8.396 -7.412 1.00 0.00 O ATOM 512 CB TRP A 35 -2.107 -11.174 -6.182 1.00 0.00 C ATOM 513 CG TRP A 35 -1.526 -11.091 -4.803 1.00 0.00 C ATOM 514 CD1 TRP A 35 -0.922 -12.098 -4.106 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.496 -9.939 -3.953 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.519 -11.641 -2.874 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.858 -10.320 -2.757 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.944 -8.622 -4.088 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.660 -9.431 -1.703 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.747 -7.741 -3.042 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.109 -8.148 -1.862 1.00 0.00 C ATOM 0 H TRP A 35 0.366 -11.234 -6.261 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.631 -10.700 -8.222 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.126 -10.788 -6.163 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.168 -12.221 -6.480 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.782 -13.105 -4.469 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.044 -12.196 -2.162 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.435 -8.299 -4.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.170 -9.743 -0.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.090 -6.721 -3.135 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.969 -7.435 -1.063 1.00 0.00 H new ATOM 532 N ALA A 36 -0.536 -8.205 -6.543 1.00 0.00 N ATOM 533 CA ALA A 36 -0.636 -6.765 -6.340 1.00 0.00 C ATOM 534 C ALA A 36 -1.003 -6.052 -7.638 1.00 0.00 C ATOM 535 O ALA A 36 -1.757 -5.079 -7.631 1.00 0.00 O ATOM 536 CB ALA A 36 0.671 -6.218 -5.786 1.00 0.00 C ATOM 0 H ALA A 36 0.353 -8.612 -6.252 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.430 -6.579 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.582 -5.142 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.891 -6.697 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.478 -6.423 -6.489 1.00 0.00 H new ATOM 542 N SER A 37 -0.463 -6.541 -8.749 1.00 0.00 N ATOM 543 CA SER A 37 -0.730 -5.947 -10.054 1.00 0.00 C ATOM 544 C SER A 37 -2.202 -6.097 -10.428 1.00 0.00 C ATOM 545 O SER A 37 -2.681 -5.470 -11.375 1.00 0.00 O ATOM 546 CB SER A 37 0.148 -6.599 -11.124 1.00 0.00 C ATOM 547 OG SER A 37 0.287 -5.755 -12.254 1.00 0.00 O ATOM 0 H SER A 37 0.162 -7.347 -8.772 1.00 0.00 H new ATOM 0 HA SER A 37 -0.493 -4.885 -9.997 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.131 -6.819 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.290 -7.550 -11.428 1.00 0.00 H new ATOM 0 HG SER A 37 0.854 -6.194 -12.922 1.00 0.00 H new ATOM 553 N LEU A 38 -2.914 -6.930 -9.678 1.00 0.00 N ATOM 554 CA LEU A 38 -4.332 -7.163 -9.930 1.00 0.00 C ATOM 555 C LEU A 38 -5.188 -6.102 -9.245 1.00 0.00 C ATOM 556 O LEU A 38 -6.368 -5.944 -9.559 1.00 0.00 O ATOM 557 CB LEU A 38 -4.736 -8.554 -9.439 1.00 0.00 C ATOM 558 CG LEU A 38 -3.960 -9.728 -10.037 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.150 -10.979 -9.193 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.397 -9.980 -11.473 1.00 0.00 C ATOM 0 H LEU A 38 -2.533 -7.455 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.499 -7.101 -11.005 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.621 -8.583 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.795 -8.699 -9.651 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.900 -9.474 -10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.590 -11.804 -9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.787 -10.794 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.209 -11.237 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.834 -10.819 -11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.462 -10.212 -11.494 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.208 -9.089 -12.072 1.00 0.00 H new ATOM 572 N TYR A 39 -4.585 -5.375 -8.311 1.00 0.00 N ATOM 573 CA TYR A 39 -5.292 -4.329 -7.582 1.00 0.00 C ATOM 574 C TYR A 39 -4.684 -2.960 -7.868 1.00 0.00 C ATOM 575 O TYR A 39 -5.376 -1.942 -7.837 1.00 0.00 O ATOM 576 CB TYR A 39 -5.254 -4.611 -6.079 1.00 0.00 C ATOM 577 CG TYR A 39 -5.749 -5.992 -5.709 1.00 0.00 C ATOM 578 CD1 TYR A 39 -4.927 -7.104 -5.845 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.037 -6.184 -5.225 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.374 -8.368 -5.510 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.492 -7.443 -4.886 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.657 -8.532 -5.030 1.00 0.00 C ATOM 583 OH TYR A 39 -7.107 -9.788 -4.695 1.00 0.00 O ATOM 0 H TYR A 39 -3.608 -5.491 -8.041 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.329 -4.324 -7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.231 -4.493 -5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.860 -3.867 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.922 -6.978 -6.219 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.694 -5.334 -5.112 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.723 -9.222 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.496 -7.575 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.031 -9.729 -4.373 1.00 0.00 H new ATOM 593 N ARG A 40 -3.385 -2.943 -8.148 1.00 0.00 N ATOM 594 CA ARG A 40 -2.682 -1.700 -8.440 1.00 0.00 C ATOM 595 C ARG A 40 -3.543 -0.776 -9.296 1.00 0.00 C ATOM 596 O ARG A 40 -3.524 0.443 -9.125 1.00 0.00 O ATOM 597 CB ARG A 40 -1.361 -1.991 -9.156 1.00 0.00 C ATOM 598 CG ARG A 40 -1.529 -2.337 -10.627 1.00 0.00 C ATOM 599 CD ARG A 40 -0.198 -2.695 -11.270 1.00 0.00 C ATOM 600 NE ARG A 40 0.500 -1.516 -11.775 1.00 0.00 N ATOM 601 CZ ARG A 40 1.489 -1.570 -12.660 1.00 0.00 C ATOM 602 NH1 ARG A 40 1.894 -2.740 -13.135 1.00 0.00 N ATOM 603 NH2 ARG A 40 2.076 -0.453 -13.071 1.00 0.00 N ATOM 0 H ARG A 40 -2.798 -3.777 -8.179 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.472 -1.201 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.710 -1.121 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.859 -2.817 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.220 -3.174 -10.729 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.973 -1.491 -11.153 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.432 -3.204 -10.541 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.367 -3.394 -12.089 1.00 0.00 H new ATOM 0 HE ARG A 40 0.212 -0.601 -11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.446 -3.601 -12.821 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.654 -2.779 -13.815 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.768 0.449 -12.707 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.835 -0.496 -13.751 1.00 0.00 H new ATOM 617 N ASP A 41 -4.297 -1.365 -10.218 1.00 0.00 N ATOM 618 CA ASP A 41 -5.166 -0.596 -11.101 1.00 0.00 C ATOM 619 C ASP A 41 -6.054 0.351 -10.300 1.00 0.00 C ATOM 620 O ASP A 41 -6.209 1.520 -10.653 1.00 0.00 O ATOM 621 CB ASP A 41 -6.031 -1.534 -11.945 1.00 0.00 C ATOM 622 CG ASP A 41 -5.216 -2.331 -12.944 1.00 0.00 C ATOM 623 OD1 ASP A 41 -4.474 -3.239 -12.514 1.00 0.00 O ATOM 624 OD2 ASP A 41 -5.318 -2.046 -14.156 1.00 0.00 O ATOM 0 H ASP A 41 -4.324 -2.373 -10.373 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.536 -0.002 -11.763 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.566 -2.220 -11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.782 -0.950 -12.477 1.00 0.00 H new ATOM 629 N ARG A 42 -6.635 -0.162 -9.220 1.00 0.00 N ATOM 630 CA ARG A 42 -7.509 0.637 -8.370 1.00 0.00 C ATOM 631 C ARG A 42 -6.715 1.708 -7.628 1.00 0.00 C ATOM 632 O ARG A 42 -7.233 2.783 -7.327 1.00 0.00 O ATOM 633 CB ARG A 42 -8.239 -0.259 -7.368 1.00 0.00 C ATOM 634 CG ARG A 42 -8.777 -1.543 -7.977 1.00 0.00 C ATOM 635 CD ARG A 42 -9.534 -2.372 -6.952 1.00 0.00 C ATOM 636 NE ARG A 42 -8.645 -2.939 -5.942 1.00 0.00 N ATOM 637 CZ ARG A 42 -8.255 -2.284 -4.854 1.00 0.00 C ATOM 638 NH1 ARG A 42 -8.675 -1.045 -4.636 1.00 0.00 N ATOM 639 NH2 ARG A 42 -7.444 -2.868 -3.981 1.00 0.00 N ATOM 0 H ARG A 42 -6.516 -1.127 -8.913 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.243 1.130 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.558 -0.510 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.066 0.299 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.437 -1.303 -8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.952 -2.128 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.285 -1.749 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.067 -3.177 -7.459 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.305 -3.891 -6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.299 -0.593 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.374 -0.544 -3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.119 -3.821 -4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.145 -2.364 -3.146 1.00 0.00 H new ATOM 653 N PHE A 43 -5.454 1.405 -7.334 1.00 0.00 N ATOM 654 CA PHE A 43 -4.589 2.340 -6.626 1.00 0.00 C ATOM 655 C PHE A 43 -4.263 3.549 -7.499 1.00 0.00 C ATOM 656 O PHE A 43 -4.413 4.695 -7.074 1.00 0.00 O ATOM 657 CB PHE A 43 -3.296 1.645 -6.194 1.00 0.00 C ATOM 658 CG PHE A 43 -3.460 0.771 -4.984 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.287 -0.340 -5.023 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.787 1.059 -3.808 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.441 -1.146 -3.911 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.936 0.257 -2.693 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.764 -0.848 -2.744 1.00 0.00 C ATOM 0 H PHE A 43 -5.010 0.519 -7.575 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.120 2.687 -5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.924 1.040 -7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.539 2.401 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.817 -0.579 -5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.138 1.921 -3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.090 -2.008 -3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.406 0.494 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.882 -1.477 -1.874 1.00 0.00 H new ATOM 673 N LEU A 44 -3.815 3.284 -8.721 1.00 0.00 N ATOM 674 CA LEU A 44 -3.467 4.348 -9.656 1.00 0.00 C ATOM 675 C LEU A 44 -4.699 5.160 -10.040 1.00 0.00 C ATOM 676 O LEU A 44 -4.717 6.383 -9.901 1.00 0.00 O ATOM 677 CB LEU A 44 -2.818 3.760 -10.911 1.00 0.00 C ATOM 678 CG LEU A 44 -1.395 3.226 -10.743 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.533 4.231 -9.996 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.410 1.889 -10.018 1.00 0.00 C ATOM 0 H LEU A 44 -3.684 2.341 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.756 5.012 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.448 2.949 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.808 4.528 -11.684 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.964 3.075 -11.733 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.476 3.834 -9.886 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.496 5.166 -10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.960 4.415 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.389 1.524 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.860 2.014 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.992 1.169 -10.594 1.00 0.00 H new ATOM 692 N SER A 45 -5.729 4.472 -10.521 1.00 0.00 N ATOM 693 CA SER A 45 -6.966 5.130 -10.927 1.00 0.00 C ATOM 694 C SER A 45 -7.494 6.028 -9.812 1.00 0.00 C ATOM 695 O SER A 45 -7.921 7.155 -10.060 1.00 0.00 O ATOM 696 CB SER A 45 -8.023 4.089 -11.302 1.00 0.00 C ATOM 697 OG SER A 45 -8.925 4.604 -12.266 1.00 0.00 O ATOM 0 H SER A 45 -5.732 3.459 -10.639 1.00 0.00 H new ATOM 0 HA SER A 45 -6.751 5.749 -11.798 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.536 3.197 -11.695 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.572 3.786 -10.411 1.00 0.00 H new ATOM 0 HG SER A 45 -9.590 3.920 -12.491 1.00 0.00 H new ATOM 703 N GLU A 46 -7.461 5.518 -8.585 1.00 0.00 N ATOM 704 CA GLU A 46 -7.938 6.274 -7.432 1.00 0.00 C ATOM 705 C GLU A 46 -6.833 7.165 -6.872 1.00 0.00 C ATOM 706 O GLU A 46 -7.008 7.815 -5.841 1.00 0.00 O ATOM 707 CB GLU A 46 -8.442 5.323 -6.344 1.00 0.00 C ATOM 708 CG GLU A 46 -9.727 4.602 -6.714 1.00 0.00 C ATOM 709 CD GLU A 46 -10.888 5.554 -6.930 1.00 0.00 C ATOM 710 OE1 GLU A 46 -10.851 6.671 -6.375 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.834 5.179 -7.655 1.00 0.00 O ATOM 0 H GLU A 46 -7.110 4.586 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.762 6.908 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.669 4.584 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.604 5.888 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.565 4.021 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.983 3.895 -5.925 1.00 0.00 H new ATOM 718 N ARG A 47 -5.695 7.190 -7.558 1.00 0.00 N ATOM 719 CA ARG A 47 -4.561 7.999 -7.129 1.00 0.00 C ATOM 720 C ARG A 47 -4.318 7.843 -5.630 1.00 0.00 C ATOM 721 O ARG A 47 -3.996 8.809 -4.939 1.00 0.00 O ATOM 722 CB ARG A 47 -4.802 9.472 -7.466 1.00 0.00 C ATOM 723 CG ARG A 47 -5.218 9.706 -8.909 1.00 0.00 C ATOM 724 CD ARG A 47 -4.011 9.922 -9.809 1.00 0.00 C ATOM 725 NE ARG A 47 -3.251 11.110 -9.429 1.00 0.00 N ATOM 726 CZ ARG A 47 -2.216 11.573 -10.121 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.821 10.952 -11.223 1.00 0.00 N ATOM 728 NH2 ARG A 47 -1.575 12.660 -9.711 1.00 0.00 N ATOM 0 H ARG A 47 -5.534 6.659 -8.414 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.676 7.651 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.575 9.865 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.892 10.036 -7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.791 8.851 -9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.874 10.575 -8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.363 9.047 -9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.342 10.019 -10.843 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.530 11.612 -8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.312 10.117 -11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.026 11.309 -11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.877 13.141 -8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.780 13.015 -10.243 1.00 0.00 H new ATOM 742 N VAL A 48 -4.475 6.620 -5.135 1.00 0.00 N ATOM 743 CA VAL A 48 -4.272 6.336 -3.719 1.00 0.00 C ATOM 744 C VAL A 48 -2.827 6.592 -3.309 1.00 0.00 C ATOM 745 O VAL A 48 -1.951 5.757 -3.531 1.00 0.00 O ATOM 746 CB VAL A 48 -4.641 4.880 -3.380 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.559 4.643 -1.880 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.029 4.545 -3.906 1.00 0.00 C ATOM 0 H VAL A 48 -4.742 5.809 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.928 7.007 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.924 4.220 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.823 3.609 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.544 4.839 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.251 5.311 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.273 3.512 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.762 5.211 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.048 4.672 -4.988 1.00 0.00 H new ATOM 758 N ASN A 49 -2.584 7.753 -2.710 1.00 0.00 N ATOM 759 CA ASN A 49 -1.243 8.120 -2.268 1.00 0.00 C ATOM 760 C ASN A 49 -0.985 7.628 -0.847 1.00 0.00 C ATOM 761 O ASN A 49 -1.917 7.312 -0.110 1.00 0.00 O ATOM 762 CB ASN A 49 -1.058 9.637 -2.337 1.00 0.00 C ATOM 763 CG ASN A 49 -1.890 10.368 -1.301 1.00 0.00 C ATOM 764 OD1 ASN A 49 -2.923 9.870 -0.853 1.00 0.00 O ATOM 765 ND2 ASN A 49 -1.442 11.557 -0.914 1.00 0.00 N ATOM 0 H ASN A 49 -3.298 8.456 -2.519 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.524 7.643 -2.934 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.005 9.879 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.330 9.989 -3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.959 12.095 -0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.581 11.932 -1.312 1.00 0.00 H new ATOM 772 N GLY A 50 0.289 7.567 -0.470 1.00 0.00 N ATOM 773 CA GLY A 50 0.647 7.114 0.862 1.00 0.00 C ATOM 774 C GLY A 50 -0.287 7.651 1.928 1.00 0.00 C ATOM 775 O GLY A 50 -0.957 6.884 2.619 1.00 0.00 O ATOM 0 H GLY A 50 1.079 7.823 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.634 6.024 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.667 7.426 1.086 1.00 0.00 H new ATOM 779 N ARG A 51 -0.331 8.972 2.063 1.00 0.00 N ATOM 780 CA ARG A 51 -1.188 9.611 3.055 1.00 0.00 C ATOM 781 C ARG A 51 -2.569 8.962 3.078 1.00 0.00 C ATOM 782 O ARG A 51 -3.130 8.710 4.145 1.00 0.00 O ATOM 783 CB ARG A 51 -1.320 11.106 2.759 1.00 0.00 C ATOM 784 CG ARG A 51 -1.528 11.956 4.002 1.00 0.00 C ATOM 785 CD ARG A 51 -2.889 11.700 4.631 1.00 0.00 C ATOM 786 NE ARG A 51 -3.190 12.657 5.692 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.453 13.940 5.471 1.00 0.00 C ATOM 788 NH1 ARG A 51 -3.451 14.417 4.235 1.00 0.00 N ATOM 789 NH2 ARG A 51 -3.718 14.749 6.489 1.00 0.00 N ATOM 0 H ARG A 51 0.217 9.621 1.498 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.728 9.481 4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.423 11.446 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.158 11.261 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.744 11.739 4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.439 13.011 3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.660 11.756 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.917 10.689 5.036 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.199 12.322 6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.247 13.798 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.653 15.403 4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.720 14.386 7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.920 15.734 6.318 1.00 0.00 H new ATOM 803 N LEU A 52 -3.112 8.696 1.895 1.00 0.00 N ATOM 804 CA LEU A 52 -4.428 8.077 1.779 1.00 0.00 C ATOM 805 C LEU A 52 -4.383 6.616 2.215 1.00 0.00 C ATOM 806 O LEU A 52 -5.300 6.124 2.874 1.00 0.00 O ATOM 807 CB LEU A 52 -4.935 8.176 0.340 1.00 0.00 C ATOM 808 CG LEU A 52 -6.345 7.641 0.086 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.302 8.127 1.163 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.834 8.059 -1.293 1.00 0.00 C ATOM 0 H LEU A 52 -2.662 8.899 1.003 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.113 8.612 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.905 9.223 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.242 7.637 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.312 6.552 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.300 7.736 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.961 7.777 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.331 9.217 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.839 7.669 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.852 9.147 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.162 7.661 -2.053 1.00 0.00 H new ATOM 822 N LEU A 53 -3.309 5.926 1.845 1.00 0.00 N ATOM 823 CA LEU A 53 -3.143 4.521 2.199 1.00 0.00 C ATOM 824 C LEU A 53 -3.237 4.325 3.709 1.00 0.00 C ATOM 825 O LEU A 53 -4.047 3.534 4.194 1.00 0.00 O ATOM 826 CB LEU A 53 -1.797 4.002 1.689 1.00 0.00 C ATOM 827 CG LEU A 53 -1.506 2.524 1.949 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.464 1.644 1.161 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.063 2.194 1.594 1.00 0.00 C ATOM 0 H LEU A 53 -2.541 6.317 1.300 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.946 3.955 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.746 4.178 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.005 4.594 2.147 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.653 2.326 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.241 0.596 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.489 1.861 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.349 1.844 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.126 1.138 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.110 2.408 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.609 2.799 2.203 1.00 0.00 H new ATOM 841 N LEU A 54 -2.405 5.052 4.447 1.00 0.00 N ATOM 842 CA LEU A 54 -2.396 4.960 5.903 1.00 0.00 C ATOM 843 C LEU A 54 -3.808 5.082 6.466 1.00 0.00 C ATOM 844 O LEU A 54 -4.275 4.208 7.197 1.00 0.00 O ATOM 845 CB LEU A 54 -1.502 6.051 6.497 1.00 0.00 C ATOM 846 CG LEU A 54 0.005 5.841 6.343 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.766 7.066 6.827 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.451 4.600 7.100 1.00 0.00 C ATOM 0 H LEU A 54 -1.729 5.711 4.062 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.999 3.983 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.766 7.001 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.730 6.141 7.559 1.00 0.00 H new ATOM 0 HG LEU A 54 0.226 5.695 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.837 6.899 6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.468 7.935 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.539 7.243 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.526 4.467 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.217 4.715 8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.069 3.727 6.706 1.00 0.00 H new ATOM 860 N THR A 55 -4.486 6.171 6.118 1.00 0.00 N ATOM 861 CA THR A 55 -5.846 6.408 6.587 1.00 0.00 C ATOM 862 C THR A 55 -6.734 5.196 6.330 1.00 0.00 C ATOM 863 O THR A 55 -7.487 4.768 7.207 1.00 0.00 O ATOM 864 CB THR A 55 -6.469 7.640 5.905 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.665 7.382 4.510 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.580 8.862 6.079 1.00 0.00 C ATOM 0 H THR A 55 -4.115 6.903 5.513 1.00 0.00 H new ATOM 0 HA THR A 55 -5.784 6.589 7.660 1.00 0.00 H new ATOM 0 HB THR A 55 -7.432 7.840 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.876 6.928 4.147 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.041 9.720 5.589 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.457 9.074 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.605 8.669 5.632 1.00 0.00 H new ATOM 874 N LEU A 56 -6.643 4.646 5.124 1.00 0.00 N ATOM 875 CA LEU A 56 -7.438 3.481 4.752 1.00 0.00 C ATOM 876 C LEU A 56 -7.271 2.359 5.772 1.00 0.00 C ATOM 877 O LEU A 56 -6.152 2.007 6.147 1.00 0.00 O ATOM 878 CB LEU A 56 -7.035 2.986 3.362 1.00 0.00 C ATOM 879 CG LEU A 56 -7.406 3.897 2.192 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.728 3.428 0.914 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.916 3.944 2.010 1.00 0.00 C ATOM 0 H LEU A 56 -6.026 4.988 4.387 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.486 3.778 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.956 2.835 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.495 2.012 3.198 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.056 4.904 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.004 4.089 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.646 3.447 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.047 2.411 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.161 4.597 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.290 2.940 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.380 4.328 2.918 1.00 0.00 H new ATOM 893 N THR A 57 -8.392 1.798 6.217 1.00 0.00 N ATOM 894 CA THR A 57 -8.370 0.716 7.192 1.00 0.00 C ATOM 895 C THR A 57 -8.950 -0.566 6.604 1.00 0.00 C ATOM 896 O THR A 57 -9.496 -0.561 5.501 1.00 0.00 O ATOM 897 CB THR A 57 -9.160 1.087 8.462 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.512 1.412 8.120 1.00 0.00 O ATOM 899 CG2 THR A 57 -8.514 2.267 9.174 1.00 0.00 C ATOM 0 H THR A 57 -9.326 2.076 5.917 1.00 0.00 H new ATOM 0 HA THR A 57 -7.326 0.552 7.457 1.00 0.00 H new ATOM 0 HB THR A 57 -9.152 0.228 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.008 1.645 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.088 2.512 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.494 2.007 9.458 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.496 3.129 8.507 1.00 0.00 H new ATOM 907 N GLU A 58 -8.828 -1.661 7.348 1.00 0.00 N ATOM 908 CA GLU A 58 -9.341 -2.950 6.898 1.00 0.00 C ATOM 909 C GLU A 58 -10.694 -2.787 6.211 1.00 0.00 C ATOM 910 O GLU A 58 -10.952 -3.399 5.175 1.00 0.00 O ATOM 911 CB GLU A 58 -9.469 -3.913 8.080 1.00 0.00 C ATOM 912 CG GLU A 58 -9.552 -5.373 7.669 1.00 0.00 C ATOM 913 CD GLU A 58 -9.201 -6.319 8.801 1.00 0.00 C ATOM 914 OE1 GLU A 58 -10.086 -6.598 9.636 1.00 0.00 O ATOM 915 OE2 GLU A 58 -8.041 -6.779 8.852 1.00 0.00 O ATOM 0 H GLU A 58 -8.379 -1.681 8.264 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.635 -3.362 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.613 -3.779 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.359 -3.655 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.561 -5.591 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.878 -5.549 6.831 1.00 0.00 H new ATOM 922 N GLU A 59 -11.553 -1.959 6.797 1.00 0.00 N ATOM 923 CA GLU A 59 -12.880 -1.717 6.241 1.00 0.00 C ATOM 924 C GLU A 59 -12.784 -1.023 4.886 1.00 0.00 C ATOM 925 O GLU A 59 -13.059 -1.625 3.849 1.00 0.00 O ATOM 926 CB GLU A 59 -13.713 -0.868 7.204 1.00 0.00 C ATOM 927 CG GLU A 59 -14.529 -1.688 8.189 1.00 0.00 C ATOM 928 CD GLU A 59 -13.794 -2.926 8.667 1.00 0.00 C ATOM 929 OE1 GLU A 59 -13.767 -3.926 7.920 1.00 0.00 O ATOM 930 OE2 GLU A 59 -13.246 -2.893 9.789 1.00 0.00 O ATOM 0 H GLU A 59 -11.355 -1.445 7.655 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.369 -2.681 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.048 -0.206 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.386 -0.234 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.785 -1.068 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.467 -1.985 7.720 1.00 0.00 H new ATOM 937 N GLU A 60 -12.392 0.247 4.904 1.00 0.00 N ATOM 938 CA GLU A 60 -12.262 1.024 3.677 1.00 0.00 C ATOM 939 C GLU A 60 -11.776 0.146 2.527 1.00 0.00 C ATOM 940 O GLU A 60 -12.292 0.223 1.412 1.00 0.00 O ATOM 941 CB GLU A 60 -11.295 2.191 3.886 1.00 0.00 C ATOM 942 CG GLU A 60 -11.873 3.318 4.725 1.00 0.00 C ATOM 943 CD GLU A 60 -12.934 4.110 3.986 1.00 0.00 C ATOM 944 OE1 GLU A 60 -14.108 3.685 4.000 1.00 0.00 O ATOM 945 OE2 GLU A 60 -12.590 5.155 3.395 1.00 0.00 O ATOM 0 H GLU A 60 -12.159 0.760 5.755 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.245 1.418 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.389 1.820 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.001 2.587 2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.303 2.903 5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.069 3.989 5.028 1.00 0.00 H new ATOM 952 N PHE A 61 -10.780 -0.688 2.807 1.00 0.00 N ATOM 953 CA PHE A 61 -10.223 -1.580 1.796 1.00 0.00 C ATOM 954 C PHE A 61 -11.303 -2.489 1.218 1.00 0.00 C ATOM 955 O PHE A 61 -11.388 -2.677 0.005 1.00 0.00 O ATOM 956 CB PHE A 61 -9.097 -2.424 2.396 1.00 0.00 C ATOM 957 CG PHE A 61 -7.798 -1.682 2.530 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.162 -1.164 1.413 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.212 -1.504 3.773 1.00 0.00 C ATOM 960 CE1 PHE A 61 -5.966 -0.481 1.533 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.017 -0.821 3.899 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.393 -0.310 2.777 1.00 0.00 C ATOM 0 H PHE A 61 -10.342 -0.765 3.725 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.819 -0.968 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.405 -2.781 3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.941 -3.304 1.772 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.606 -1.295 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.694 -1.903 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.481 -0.082 0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.571 -0.687 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.458 0.222 2.873 1.00 0.00 H new ATOM 972 N SER A 62 -12.127 -3.052 2.097 1.00 0.00 N ATOM 973 CA SER A 62 -13.199 -3.945 1.675 1.00 0.00 C ATOM 974 C SER A 62 -14.367 -3.155 1.092 1.00 0.00 C ATOM 975 O SER A 62 -15.309 -3.730 0.546 1.00 0.00 O ATOM 976 CB SER A 62 -13.681 -4.791 2.855 1.00 0.00 C ATOM 977 OG SER A 62 -14.787 -5.596 2.488 1.00 0.00 O ATOM 0 H SER A 62 -12.072 -2.905 3.105 1.00 0.00 H new ATOM 0 HA SER A 62 -12.805 -4.604 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.868 -5.425 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.960 -4.140 3.683 1.00 0.00 H new ATOM 0 HG SER A 62 -15.296 -5.150 1.779 1.00 0.00 H new ATOM 983 N ARG A 63 -14.297 -1.833 1.211 1.00 0.00 N ATOM 984 CA ARG A 63 -15.348 -0.963 0.697 1.00 0.00 C ATOM 985 C ARG A 63 -14.983 -0.427 -0.684 1.00 0.00 C ATOM 986 O ARG A 63 -13.813 -0.181 -0.976 1.00 0.00 O ATOM 987 CB ARG A 63 -15.592 0.200 1.660 1.00 0.00 C ATOM 988 CG ARG A 63 -15.889 -0.240 3.084 1.00 0.00 C ATOM 989 CD ARG A 63 -17.183 -1.033 3.164 1.00 0.00 C ATOM 990 NE ARG A 63 -18.345 -0.223 2.808 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.582 -0.495 3.210 1.00 0.00 C ATOM 992 NH1 ARG A 63 -19.816 -1.551 3.977 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.587 0.290 2.844 1.00 0.00 N ATOM 0 H ARG A 63 -13.524 -1.341 1.659 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.262 -1.551 0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.715 0.847 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.427 0.797 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.065 -0.848 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.957 0.636 3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.123 -1.893 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.308 -1.422 4.175 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.199 0.596 2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.046 -2.157 4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.766 -1.758 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.410 1.103 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.536 0.081 3.153 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.992 -0.249 -1.530 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.778 0.260 -2.879 1.00 0.00 C ATOM 1009 C ALA A 64 -15.102 1.627 -2.850 1.00 0.00 C ATOM 1010 O ALA A 64 -15.140 2.343 -1.849 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.099 0.338 -3.630 1.00 0.00 C ATOM 0 H ALA A 64 -16.966 -0.450 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.117 -0.432 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.924 0.720 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.542 -0.656 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.779 1.006 -3.102 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.468 1.998 -3.972 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.416 1.154 -5.169 1.00 0.00 C ATOM 1019 C PRO A 65 -13.545 -0.082 -4.969 1.00 0.00 C ATOM 1020 O PRO A 65 -13.776 -1.122 -5.585 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.804 2.075 -6.226 1.00 0.00 C ATOM 1022 CG PRO A 65 -13.011 3.069 -5.450 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.753 3.272 -4.158 1.00 0.00 C ATOM 0 HA PRO A 65 -15.399 0.768 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.172 1.518 -6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.576 2.563 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.000 2.704 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.917 4.007 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.072 3.475 -3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.442 4.115 -4.218 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.544 0.040 -4.104 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.637 -1.067 -3.825 1.00 0.00 C ATOM 1033 C TYR A 66 -12.410 -2.365 -3.611 1.00 0.00 C ATOM 1034 O TYR A 66 -12.040 -3.416 -4.134 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.786 -0.758 -2.591 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.489 0.714 -2.414 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.964 1.467 -3.458 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.731 1.351 -1.204 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.690 2.812 -3.301 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.461 2.696 -1.038 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.941 3.422 -2.089 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.669 4.761 -1.928 1.00 0.00 O ATOM 0 H TYR A 66 -12.340 0.894 -3.584 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.983 -1.193 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.301 -1.126 -1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.845 -1.304 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.767 0.993 -4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.137 0.785 -0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.282 3.383 -4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.656 3.176 -0.090 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.904 5.035 -1.017 1.00 0.00 H new ATOM 1052 N THR A 67 -13.489 -2.283 -2.838 1.00 0.00 N ATOM 1053 CA THR A 67 -14.316 -3.449 -2.554 1.00 0.00 C ATOM 1054 C THR A 67 -13.483 -4.726 -2.552 1.00 0.00 C ATOM 1055 O THR A 67 -13.911 -5.757 -3.070 1.00 0.00 O ATOM 1056 CB THR A 67 -15.455 -3.594 -3.580 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.383 -4.593 -3.144 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.906 -3.968 -4.949 1.00 0.00 C ATOM 0 H THR A 67 -13.810 -1.421 -2.398 1.00 0.00 H new ATOM 0 HA THR A 67 -14.747 -3.297 -1.564 1.00 0.00 H new ATOM 0 HB THR A 67 -15.966 -2.634 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.904 -5.430 -2.968 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.729 -4.065 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.222 -3.191 -5.291 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.373 -4.916 -4.881 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.293 -4.650 -1.966 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.402 -5.801 -1.895 1.00 0.00 C ATOM 1068 C ILE A 68 -12.128 -7.026 -1.350 1.00 0.00 C ATOM 1069 O ILE A 68 -12.138 -7.268 -0.144 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.175 -5.510 -1.011 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.377 -4.334 -1.578 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.298 -6.748 -0.898 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.078 -4.077 -0.848 1.00 0.00 C ATOM 0 H ILE A 68 -11.924 -3.803 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.067 -6.003 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.521 -5.241 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.162 -4.525 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.992 -3.435 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.435 -6.526 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.872 -7.561 -0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.958 -7.045 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.566 -3.230 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.287 -3.854 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.444 -4.961 -0.911 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.735 -7.796 -2.249 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.463 -8.997 -1.857 1.00 0.00 C ATOM 1087 C GLU A 69 -12.504 -10.157 -1.606 1.00 0.00 C ATOM 1088 O GLU A 69 -12.746 -11.282 -2.042 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.475 -9.382 -2.939 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.423 -8.256 -3.314 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.693 -8.757 -3.973 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -17.512 -9.391 -3.275 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -16.868 -8.517 -5.186 1.00 0.00 O ATOM 0 H GLU A 69 -12.737 -7.609 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.996 -8.782 -0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.936 -9.704 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.057 -10.236 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.682 -7.691 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.915 -7.568 -3.990 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.413 -9.874 -0.901 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.416 -10.893 -0.593 1.00 0.00 C ATOM 1102 C ASN A 70 -9.638 -10.528 0.668 1.00 0.00 C ATOM 1103 O ASN A 70 -8.899 -9.544 0.691 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.453 -11.065 -1.769 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.872 -12.465 -1.840 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -9.300 -13.286 -2.650 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.892 -12.742 -0.988 1.00 0.00 N ATOM 0 H ASN A 70 -11.197 -8.948 -0.532 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.936 -11.835 -0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.976 -10.844 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.642 -10.342 -1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.462 -13.667 -0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.569 -12.030 -0.333 1.00 0.00 H new ATOM 1114 N SER A 71 -9.810 -11.329 1.715 1.00 0.00 N ATOM 1115 CA SER A 71 -9.126 -11.090 2.980 1.00 0.00 C ATOM 1116 C SER A 71 -7.612 -11.134 2.797 1.00 0.00 C ATOM 1117 O SER A 71 -6.910 -10.172 3.107 1.00 0.00 O ATOM 1118 CB SER A 71 -9.556 -12.126 4.020 1.00 0.00 C ATOM 1119 OG SER A 71 -9.119 -11.758 5.317 1.00 0.00 O ATOM 0 H SER A 71 -10.417 -12.149 1.712 1.00 0.00 H new ATOM 0 HA SER A 71 -9.403 -10.096 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.642 -12.224 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.146 -13.101 3.758 1.00 0.00 H new ATOM 0 HG SER A 71 -9.408 -12.435 5.964 1.00 0.00 H new ATOM 1125 N SER A 72 -7.116 -12.259 2.290 1.00 0.00 N ATOM 1126 CA SER A 72 -5.686 -12.432 2.069 1.00 0.00 C ATOM 1127 C SER A 72 -5.042 -11.121 1.626 1.00 0.00 C ATOM 1128 O SER A 72 -3.953 -10.767 2.078 1.00 0.00 O ATOM 1129 CB SER A 72 -5.438 -13.515 1.017 1.00 0.00 C ATOM 1130 OG SER A 72 -4.155 -14.094 1.173 1.00 0.00 O ATOM 0 H SER A 72 -7.684 -13.064 2.025 1.00 0.00 H new ATOM 0 HA SER A 72 -5.233 -12.740 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.202 -14.288 1.100 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.527 -13.085 0.020 1.00 0.00 H new ATOM 0 HG SER A 72 -4.022 -14.784 0.490 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.724 -10.404 0.739 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.220 -9.131 0.235 1.00 0.00 C ATOM 1138 C HIS A 73 -5.123 -8.103 1.357 1.00 0.00 C ATOM 1139 O HIS A 73 -4.092 -7.451 1.528 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.127 -8.605 -0.878 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.507 -7.506 -1.686 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -5.885 -6.185 -1.573 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.529 -7.538 -2.621 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.167 -5.451 -2.405 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.337 -6.248 -3.053 1.00 0.00 N ATOM 0 H HIS A 73 -6.627 -10.682 0.354 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.221 -9.297 -0.168 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.390 -9.429 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.056 -8.242 -0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.998 -8.414 -2.964 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.246 -4.382 -2.533 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.663 -5.954 -3.760 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.203 -7.961 2.119 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.240 -7.010 3.223 1.00 0.00 C ATOM 1156 C ARG A 74 -5.208 -7.373 4.288 1.00 0.00 C ATOM 1157 O ARG A 74 -4.509 -6.505 4.810 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.637 -6.971 3.844 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.638 -6.155 3.042 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.894 -5.864 3.849 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.851 -6.966 3.786 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.885 -7.088 4.611 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -12.094 -6.182 5.556 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.713 -8.118 4.491 1.00 0.00 N ATOM 0 H ARG A 74 -7.064 -8.493 1.992 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.998 -6.023 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.009 -7.991 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.567 -6.557 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.178 -5.217 2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.905 -6.695 2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.623 -5.678 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.363 -4.954 3.475 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.718 -7.680 3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.460 -5.389 5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.889 -6.278 6.188 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.556 -8.817 3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.507 -8.211 5.125 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.120 -8.661 4.604 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.176 -9.138 5.607 1.00 0.00 C ATOM 1180 C ARG A 75 -2.751 -8.718 5.256 1.00 0.00 C ATOM 1181 O ARG A 75 -2.019 -8.201 6.100 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.255 -10.661 5.729 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.246 -11.247 6.703 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.937 -11.592 6.009 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.096 -12.462 6.827 1.00 0.00 N ATOM 1186 CZ ARG A 75 -0.166 -13.267 6.326 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.042 -13.312 5.018 1.00 0.00 N ATOM 1188 NH2 ARG A 75 0.559 -14.029 7.135 1.00 0.00 N ATOM 0 H ARG A 75 -5.691 -9.392 4.180 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.443 -8.689 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.259 -10.940 6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.098 -11.104 4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.057 -10.534 7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.662 -12.143 7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.149 -12.082 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.395 -10.674 5.781 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.230 -12.451 7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.513 -12.727 4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.757 -13.931 4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.402 -13.997 8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.273 -14.647 6.749 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.364 -8.945 4.004 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.028 -8.591 3.541 1.00 0.00 C ATOM 1204 C VAL A 76 -0.816 -7.082 3.579 1.00 0.00 C ATOM 1205 O VAL A 76 0.095 -6.590 4.246 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.778 -9.097 2.108 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.638 -8.765 1.664 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.036 -10.594 2.020 1.00 0.00 C ATOM 0 H VAL A 76 -2.957 -9.372 3.293 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.321 -9.072 4.217 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.472 -8.591 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.796 -9.130 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.783 -7.685 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.351 -9.242 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.855 -10.935 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.368 -11.119 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.071 -10.802 2.293 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.663 -6.352 2.861 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.569 -4.898 2.814 1.00 0.00 C ATOM 1220 C ILE A 77 -1.480 -4.308 4.217 1.00 0.00 C ATOM 1221 O ILE A 77 -0.535 -3.588 4.542 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.775 -4.279 2.084 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.657 -4.507 0.575 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.877 -2.794 2.395 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.901 -4.118 -0.193 1.00 0.00 C ATOM 0 H ILE A 77 -2.422 -6.744 2.304 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.660 -4.658 2.263 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.684 -4.767 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.811 -3.935 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.440 -5.559 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.734 -2.371 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.002 -2.655 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.967 -2.290 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.746 -4.306 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.746 -4.708 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.108 -3.059 -0.038 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.471 -4.618 5.047 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.505 -4.119 6.417 1.00 0.00 C ATOM 1239 C LEU A 78 -1.272 -4.572 7.192 1.00 0.00 C ATOM 1240 O LEU A 78 -0.391 -3.770 7.504 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.772 -4.602 7.125 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.014 -3.728 6.948 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -5.642 -3.962 5.583 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -6.022 -4.004 8.055 1.00 0.00 C ATOM 0 H LEU A 78 -3.261 -5.212 4.795 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.509 -3.030 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.004 -5.605 6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.559 -4.685 8.191 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.711 -2.683 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.524 -3.331 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.922 -3.714 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.931 -5.009 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.900 -3.373 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.319 -5.052 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.570 -3.784 9.022 1.00 0.00 H new ATOM 1256 N THR A 79 -1.214 -5.865 7.500 1.00 0.00 N ATOM 1257 CA THR A 79 -0.089 -6.425 8.237 1.00 0.00 C ATOM 1258 C THR A 79 1.213 -5.720 7.874 1.00 0.00 C ATOM 1259 O THR A 79 1.952 -5.273 8.750 1.00 0.00 O ATOM 1260 CB THR A 79 0.065 -7.934 7.966 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.092 -8.636 8.433 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.308 -8.483 8.650 1.00 0.00 C ATOM 0 H THR A 79 -1.934 -6.543 7.250 1.00 0.00 H new ATOM 0 HA THR A 79 -0.298 -6.273 9.296 1.00 0.00 H new ATOM 0 HB THR A 79 0.168 -8.079 6.891 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.720 -8.761 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.395 -9.550 8.444 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.190 -7.967 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.231 -8.326 9.726 1.00 0.00 H new ATOM 1270 N GLU A 80 1.486 -5.623 6.576 1.00 0.00 N ATOM 1271 CA GLU A 80 2.700 -4.971 6.098 1.00 0.00 C ATOM 1272 C GLU A 80 2.696 -3.487 6.453 1.00 0.00 C ATOM 1273 O GLU A 80 3.696 -2.949 6.930 1.00 0.00 O ATOM 1274 CB GLU A 80 2.836 -5.145 4.584 1.00 0.00 C ATOM 1275 CG GLU A 80 3.213 -6.555 4.164 1.00 0.00 C ATOM 1276 CD GLU A 80 4.714 -6.758 4.082 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.429 -6.263 4.979 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.173 -7.410 3.121 1.00 0.00 O ATOM 0 H GLU A 80 0.884 -5.987 5.838 1.00 0.00 H new ATOM 0 HA GLU A 80 3.552 -5.441 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.893 -4.874 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.590 -4.451 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.792 -7.266 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.767 -6.772 3.193 1.00 0.00 H new ATOM 1285 N LEU A 81 1.565 -2.831 6.217 1.00 0.00 N ATOM 1286 CA LEU A 81 1.430 -1.409 6.511 1.00 0.00 C ATOM 1287 C LEU A 81 1.625 -1.139 8.000 1.00 0.00 C ATOM 1288 O LEU A 81 2.100 -0.073 8.390 1.00 0.00 O ATOM 1289 CB LEU A 81 0.057 -0.904 6.065 1.00 0.00 C ATOM 1290 CG LEU A 81 -0.003 -0.254 4.683 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -1.428 -0.255 4.153 1.00 0.00 C ATOM 1292 CD2 LEU A 81 0.547 1.164 4.736 1.00 0.00 C ATOM 0 H LEU A 81 0.728 -3.261 5.823 1.00 0.00 H new ATOM 0 HA LEU A 81 2.204 -0.875 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.639 -1.743 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.298 -0.182 6.800 1.00 0.00 H new ATOM 0 HG LEU A 81 0.616 -0.838 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.450 0.212 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.787 -1.281 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.070 0.304 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.496 1.611 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.045 1.758 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.584 1.140 5.071 1.00 0.00 H new ATOM 1304 N GLU A 82 1.257 -2.114 8.826 1.00 0.00 N ATOM 1305 CA GLU A 82 1.393 -1.981 10.271 1.00 0.00 C ATOM 1306 C GLU A 82 2.863 -1.919 10.676 1.00 0.00 C ATOM 1307 O GLU A 82 3.215 -1.311 11.687 1.00 0.00 O ATOM 1308 CB GLU A 82 0.707 -3.151 10.980 1.00 0.00 C ATOM 1309 CG GLU A 82 0.517 -2.932 12.471 1.00 0.00 C ATOM 1310 CD GLU A 82 -0.748 -2.160 12.792 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.940 -1.071 12.212 1.00 0.00 O ATOM 1312 OE2 GLU A 82 -1.546 -2.645 13.621 1.00 0.00 O ATOM 0 H GLU A 82 0.863 -3.003 8.519 1.00 0.00 H new ATOM 0 HA GLU A 82 0.911 -1.050 10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.266 -3.324 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.297 -4.054 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.486 -3.898 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.377 -2.393 12.868 1.00 0.00 H new ATOM 1319 N ARG A 83 3.718 -2.553 9.879 1.00 0.00 N ATOM 1320 CA ARG A 83 5.149 -2.572 10.155 1.00 0.00 C ATOM 1321 C ARG A 83 5.825 -1.319 9.605 1.00 0.00 C ATOM 1322 O ARG A 83 6.374 -0.516 10.360 1.00 0.00 O ATOM 1323 CB ARG A 83 5.791 -3.820 9.545 1.00 0.00 C ATOM 1324 CG ARG A 83 5.028 -5.102 9.836 1.00 0.00 C ATOM 1325 CD ARG A 83 5.952 -6.309 9.849 1.00 0.00 C ATOM 1326 NE ARG A 83 6.737 -6.384 11.079 1.00 0.00 N ATOM 1327 CZ ARG A 83 7.375 -7.479 11.477 1.00 0.00 C ATOM 1328 NH1 ARG A 83 7.322 -8.584 10.747 1.00 0.00 N ATOM 1329 NH2 ARG A 83 8.069 -7.470 12.609 1.00 0.00 N ATOM 0 H ARG A 83 3.444 -3.060 9.037 1.00 0.00 H new ATOM 0 HA ARG A 83 5.285 -2.593 11.236 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.866 -3.689 8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.808 -3.918 9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.525 -5.017 10.799 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.253 -5.244 9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.362 -7.219 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.624 -6.260 8.992 1.00 0.00 H new ATOM 0 HE ARG A 83 6.798 -5.550 11.664 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.790 -8.595 9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.813 -9.423 11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.113 -6.622 13.174 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.559 -8.311 12.914 1.00 0.00 H new ATOM 1343 N VAL A 84 5.782 -1.159 8.287 1.00 0.00 N ATOM 1344 CA VAL A 84 6.389 -0.004 7.636 1.00 0.00 C ATOM 1345 C VAL A 84 6.101 1.277 8.410 1.00 0.00 C ATOM 1346 O VAL A 84 6.969 2.138 8.550 1.00 0.00 O ATOM 1347 CB VAL A 84 5.881 0.157 6.191 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.313 -1.026 5.338 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.368 0.314 6.172 1.00 0.00 C ATOM 0 H VAL A 84 5.333 -1.815 7.648 1.00 0.00 H new ATOM 0 HA VAL A 84 7.465 -0.180 7.618 1.00 0.00 H new ATOM 0 HB VAL A 84 6.322 1.060 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.945 -0.895 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.401 -1.087 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.903 -1.945 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.027 0.427 5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.905 -0.569 6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.087 1.197 6.746 1.00 0.00 H new ATOM 1359 N ARG A 85 4.876 1.396 8.913 1.00 0.00 N ATOM 1360 CA ARG A 85 4.473 2.573 9.673 1.00 0.00 C ATOM 1361 C ARG A 85 5.093 2.558 11.067 1.00 0.00 C ATOM 1362 O ARG A 85 5.664 3.553 11.514 1.00 0.00 O ATOM 1363 CB ARG A 85 2.949 2.638 9.782 1.00 0.00 C ATOM 1364 CG ARG A 85 2.388 1.854 10.957 1.00 0.00 C ATOM 1365 CD ARG A 85 0.875 1.984 11.042 1.00 0.00 C ATOM 1366 NE ARG A 85 0.468 3.236 11.674 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.785 3.679 11.688 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.747 2.974 11.108 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -1.077 4.828 12.283 1.00 0.00 N ATOM 0 H ARG A 85 4.146 0.692 8.808 1.00 0.00 H new ATOM 0 HA ARG A 85 4.831 3.456 9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.644 3.680 9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.511 2.257 8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.659 0.803 10.857 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.838 2.212 11.883 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.450 1.929 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.470 1.144 11.607 1.00 0.00 H new ATOM 0 HE ARG A 85 1.184 3.801 12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.526 2.090 10.650 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.708 3.316 11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.340 5.373 12.730 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.039 5.167 12.293 1.00 0.00 H new