USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 GLN : amide:sc=-0.000563 K(o=-0.00056,f=-1) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -169:sc= -1.71 (180deg=-2.18) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 130:sc= -2.95! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 39 THR OG1 : rot -98:sc= -1.85! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.163 (180deg=-0.725) USER MOD Single : A 58 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 100:sc= 1.42 USER MOD Single : A 70 CYS SG : rot -101:sc= -1.25 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.8!) USER MOD Single : A 79 SER OG : rot -64:sc= 0.0396 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 27:sc=0.000551 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 6.129 -10.589 3.060 1.00 0.00 N ATOM 109 CA MET A 11 6.434 -9.726 1.924 1.00 0.00 C ATOM 110 C MET A 11 7.220 -8.496 2.369 1.00 0.00 C ATOM 111 O MET A 11 8.241 -8.151 1.776 1.00 0.00 O ATOM 112 CB MET A 11 5.145 -9.297 1.223 1.00 0.00 C ATOM 113 CG MET A 11 4.467 -10.418 0.453 1.00 0.00 C ATOM 114 SD MET A 11 5.526 -11.119 -0.828 1.00 0.00 S ATOM 115 CE MET A 11 6.188 -9.631 -1.573 1.00 0.00 C ATOM 0 HA MET A 11 7.049 -10.292 1.224 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.450 -8.907 1.966 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.369 -8.481 0.537 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.174 -11.205 1.148 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.553 -10.039 -0.004 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.703 -9.886 -2.499 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.374 -8.939 -1.789 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.890 -9.161 -0.885 1.00 0.00 H new ATOM 125 N LEU A 12 6.735 -7.839 3.419 1.00 0.00 N ATOM 126 CA LEU A 12 7.391 -6.647 3.943 1.00 0.00 C ATOM 127 C LEU A 12 8.821 -6.956 4.375 1.00 0.00 C ATOM 128 O LEU A 12 9.701 -6.099 4.306 1.00 0.00 O ATOM 129 CB LEU A 12 6.600 -6.083 5.125 1.00 0.00 C ATOM 130 CG LEU A 12 5.298 -5.371 4.754 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.566 -4.910 6.004 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.580 -4.194 3.833 1.00 0.00 C ATOM 0 H LEU A 12 5.891 -8.112 3.923 1.00 0.00 H new ATOM 0 HA LEU A 12 7.425 -5.903 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.367 -6.899 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.236 -5.384 5.668 1.00 0.00 H new ATOM 0 HG LEU A 12 4.658 -6.076 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.642 -4.406 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.331 -5.773 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.199 -4.220 6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.643 -3.698 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.239 -3.487 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.060 -4.552 2.922 1.00 0.00 H new ATOM 144 N SER A 13 9.045 -8.189 4.820 1.00 0.00 N ATOM 145 CA SER A 13 10.369 -8.613 5.263 1.00 0.00 C ATOM 146 C SER A 13 11.388 -8.483 4.135 1.00 0.00 C ATOM 147 O SER A 13 12.568 -8.226 4.377 1.00 0.00 O ATOM 148 CB SER A 13 10.325 -10.058 5.762 1.00 0.00 C ATOM 149 OG SER A 13 10.194 -10.966 4.683 1.00 0.00 O ATOM 0 H SER A 13 8.328 -8.911 4.883 1.00 0.00 H new ATOM 0 HA SER A 13 10.676 -7.963 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.234 -10.281 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.489 -10.183 6.450 1.00 0.00 H new ATOM 0 HG SER A 13 10.170 -11.883 5.028 1.00 0.00 H new ATOM 155 N ALA A 14 10.925 -8.664 2.901 1.00 0.00 N ATOM 156 CA ALA A 14 11.797 -8.568 1.737 1.00 0.00 C ATOM 157 C ALA A 14 11.843 -7.141 1.202 1.00 0.00 C ATOM 158 O ALA A 14 12.860 -6.702 0.666 1.00 0.00 O ATOM 159 CB ALA A 14 11.332 -9.525 0.651 1.00 0.00 C ATOM 0 H ALA A 14 9.952 -8.878 2.683 1.00 0.00 H new ATOM 0 HA ALA A 14 12.805 -8.846 2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.992 -9.443 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.357 -10.546 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.314 -9.272 0.355 1.00 0.00 H new ATOM 165 N LEU A 15 10.736 -6.421 1.353 1.00 0.00 N ATOM 166 CA LEU A 15 10.651 -5.043 0.885 1.00 0.00 C ATOM 167 C LEU A 15 11.485 -4.117 1.764 1.00 0.00 C ATOM 168 O LEU A 15 12.200 -3.248 1.265 1.00 0.00 O ATOM 169 CB LEU A 15 9.195 -4.575 0.871 1.00 0.00 C ATOM 170 CG LEU A 15 8.286 -5.316 -0.111 1.00 0.00 C ATOM 171 CD1 LEU A 15 6.839 -4.886 0.071 1.00 0.00 C ATOM 172 CD2 LEU A 15 8.740 -5.072 -1.543 1.00 0.00 C ATOM 0 H LEU A 15 9.886 -6.769 1.796 1.00 0.00 H new ATOM 0 HA LEU A 15 11.047 -5.006 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.785 -4.684 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.173 -3.512 0.631 1.00 0.00 H new ATOM 0 HG LEU A 15 8.354 -6.384 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.208 -5.424 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.518 -5.111 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.753 -3.814 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.083 -5.606 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.701 -4.005 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.762 -5.430 -1.667 1.00 0.00 H new ATOM 184 N GLY A 16 11.389 -4.309 3.076 1.00 0.00 N ATOM 185 CA GLY A 16 12.141 -3.485 4.003 1.00 0.00 C ATOM 186 C GLY A 16 11.355 -2.277 4.473 1.00 0.00 C ATOM 187 O GLY A 16 11.912 -1.192 4.640 1.00 0.00 O ATOM 0 H GLY A 16 10.804 -5.021 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.430 -4.085 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.062 -3.152 3.524 1.00 0.00 H new ATOM 191 N LEU A 17 10.056 -2.465 4.687 1.00 0.00 N ATOM 192 CA LEU A 17 9.192 -1.381 5.140 1.00 0.00 C ATOM 193 C LEU A 17 8.205 -1.876 6.193 1.00 0.00 C ATOM 194 O LEU A 17 7.988 -3.079 6.337 1.00 0.00 O ATOM 195 CB LEU A 17 8.434 -0.777 3.957 1.00 0.00 C ATOM 196 CG LEU A 17 8.011 0.682 4.136 1.00 0.00 C ATOM 197 CD1 LEU A 17 9.213 1.547 4.482 1.00 0.00 C ATOM 198 CD2 LEU A 17 7.326 1.196 2.879 1.00 0.00 C ATOM 0 H LEU A 17 9.580 -3.357 4.554 1.00 0.00 H new ATOM 0 HA LEU A 17 9.820 -0.612 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.060 -0.851 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.543 -1.377 3.771 1.00 0.00 H new ATOM 0 HG LEU A 17 7.301 0.736 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.893 2.582 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.661 1.192 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.947 1.488 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.032 2.235 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.014 1.128 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.441 0.594 2.675 1.00 0.00 H new ATOM 210 N ARG A 18 7.611 -0.940 6.925 1.00 0.00 N ATOM 211 CA ARG A 18 6.645 -1.280 7.965 1.00 0.00 C ATOM 212 C ARG A 18 5.246 -0.807 7.584 1.00 0.00 C ATOM 213 O ARG A 18 5.086 0.069 6.734 1.00 0.00 O ATOM 214 CB ARG A 18 7.064 -0.661 9.301 1.00 0.00 C ATOM 215 CG ARG A 18 7.457 -1.689 10.350 1.00 0.00 C ATOM 216 CD ARG A 18 7.618 -1.055 11.724 1.00 0.00 C ATOM 217 NE ARG A 18 6.626 -1.549 12.675 1.00 0.00 N ATOM 218 CZ ARG A 18 6.328 -0.940 13.820 1.00 0.00 C ATOM 219 NH1 ARG A 18 6.943 0.186 14.159 1.00 0.00 N ATOM 220 NH2 ARG A 18 5.412 -1.457 14.627 1.00 0.00 N ATOM 0 H ARG A 18 7.781 0.060 6.818 1.00 0.00 H new ATOM 0 HA ARG A 18 6.624 -2.365 8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.904 0.013 9.132 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.242 -0.057 9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.699 -2.471 10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.391 -2.168 10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.619 -1.262 12.104 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.528 0.028 11.636 1.00 0.00 H new ATOM 0 HE ARG A 18 6.132 -2.412 12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.648 0.588 13.541 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.711 0.649 15.038 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.936 -2.322 14.370 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.184 -0.990 15.505 1.00 0.00 H new ATOM 234 N LEU A 19 4.236 -1.392 8.219 1.00 0.00 N ATOM 235 CA LEU A 19 2.850 -1.030 7.947 1.00 0.00 C ATOM 236 C LEU A 19 2.521 0.342 8.528 1.00 0.00 C ATOM 237 O LEU A 19 3.036 0.720 9.580 1.00 0.00 O ATOM 238 CB LEU A 19 1.903 -2.083 8.527 1.00 0.00 C ATOM 239 CG LEU A 19 2.017 -3.473 7.897 1.00 0.00 C ATOM 240 CD1 LEU A 19 1.959 -4.552 8.969 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.919 -3.683 6.867 1.00 0.00 C ATOM 0 H LEU A 19 4.351 -2.119 8.925 1.00 0.00 H new ATOM 0 HA LEU A 19 2.717 -0.988 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.091 -2.169 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.878 -1.731 8.411 1.00 0.00 H new ATOM 0 HG LEU A 19 2.980 -3.544 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.042 -5.534 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.782 -4.413 9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.012 -4.483 9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.016 -4.677 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.054 -3.592 7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.007 -2.931 6.083 1.00 0.00 H new ATOM 253 N GLY A 20 1.662 1.082 7.834 1.00 0.00 N ATOM 254 CA GLY A 20 1.280 2.403 8.298 1.00 0.00 C ATOM 255 C GLY A 20 2.081 3.506 7.632 1.00 0.00 C ATOM 256 O GLY A 20 1.551 4.579 7.344 1.00 0.00 O ATOM 0 H GLY A 20 1.224 0.791 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.219 2.560 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.418 2.459 9.378 1.00 0.00 H new ATOM 260 N ASP A 21 3.361 3.241 7.390 1.00 0.00 N ATOM 261 CA ASP A 21 4.236 4.219 6.755 1.00 0.00 C ATOM 262 C ASP A 21 3.721 4.593 5.368 1.00 0.00 C ATOM 263 O ASP A 21 2.929 3.863 4.772 1.00 0.00 O ATOM 264 CB ASP A 21 5.661 3.670 6.654 1.00 0.00 C ATOM 265 CG ASP A 21 6.705 4.692 7.059 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.429 5.904 6.933 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.798 4.281 7.502 1.00 0.00 O ATOM 0 H ASP A 21 3.815 2.358 7.624 1.00 0.00 H new ATOM 0 HA ASP A 21 4.244 5.117 7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.754 2.789 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.851 3.347 5.631 1.00 0.00 H new ATOM 272 N ARG A 22 4.177 5.734 4.861 1.00 0.00 N ATOM 273 CA ARG A 22 3.762 6.204 3.545 1.00 0.00 C ATOM 274 C ARG A 22 4.524 5.476 2.442 1.00 0.00 C ATOM 275 O ARG A 22 5.581 4.894 2.684 1.00 0.00 O ATOM 276 CB ARG A 22 3.985 7.713 3.426 1.00 0.00 C ATOM 277 CG ARG A 22 2.777 8.540 3.834 1.00 0.00 C ATOM 278 CD ARG A 22 2.742 9.873 3.104 1.00 0.00 C ATOM 279 NE ARG A 22 1.956 10.872 3.825 1.00 0.00 N ATOM 280 CZ ARG A 22 2.032 12.181 3.595 1.00 0.00 C ATOM 281 NH1 ARG A 22 2.855 12.653 2.666 1.00 0.00 N ATOM 282 NH2 ARG A 22 1.282 13.021 4.294 1.00 0.00 N ATOM 0 H ARG A 22 4.833 6.349 5.341 1.00 0.00 H new ATOM 0 HA ARG A 22 2.699 5.991 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.835 7.996 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.248 7.953 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.865 7.983 3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.800 8.714 4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.760 10.240 2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.321 9.730 2.109 1.00 0.00 H new ATOM 0 HE ARG A 22 1.312 10.548 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.434 12.011 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.909 13.657 2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.647 12.664 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.340 14.024 4.118 1.00 0.00 H new ATOM 296 N VAL A 23 3.978 5.513 1.230 1.00 0.00 N ATOM 297 CA VAL A 23 4.606 4.856 0.090 1.00 0.00 C ATOM 298 C VAL A 23 4.595 5.758 -1.139 1.00 0.00 C ATOM 299 O VAL A 23 4.078 6.876 -1.097 1.00 0.00 O ATOM 300 CB VAL A 23 3.901 3.531 -0.255 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.119 2.507 0.849 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.417 3.763 -0.492 1.00 0.00 C ATOM 0 H VAL A 23 3.103 5.990 1.013 1.00 0.00 H new ATOM 0 HA VAL A 23 5.637 4.647 0.376 1.00 0.00 H new ATOM 0 HB VAL A 23 4.335 3.137 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.614 1.577 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.186 2.319 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.713 2.890 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.935 2.816 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.966 4.180 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.285 4.460 -1.320 1.00 0.00 H new ATOM 312 N LEU A 24 5.168 5.267 -2.234 1.00 0.00 N ATOM 313 CA LEU A 24 5.223 6.029 -3.476 1.00 0.00 C ATOM 314 C LEU A 24 4.563 5.260 -4.616 1.00 0.00 C ATOM 315 O LEU A 24 5.033 4.192 -5.011 1.00 0.00 O ATOM 316 CB LEU A 24 6.674 6.352 -3.837 1.00 0.00 C ATOM 317 CG LEU A 24 6.883 7.694 -4.540 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.625 8.845 -3.581 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.289 7.781 -5.115 1.00 0.00 C ATOM 0 H LEU A 24 5.601 4.345 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 24 4.677 6.960 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.271 6.340 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.058 5.559 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 24 6.171 7.767 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.779 9.792 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.599 8.793 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.312 8.777 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.420 8.742 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.018 7.686 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.438 6.977 -5.836 1.00 0.00 H new ATOM 331 N LEU A 25 3.472 5.808 -5.140 1.00 0.00 N ATOM 332 CA LEU A 25 2.747 5.173 -6.235 1.00 0.00 C ATOM 333 C LEU A 25 3.143 5.782 -7.576 1.00 0.00 C ATOM 334 O LEU A 25 3.140 7.002 -7.741 1.00 0.00 O ATOM 335 CB LEU A 25 1.238 5.313 -6.024 1.00 0.00 C ATOM 336 CG LEU A 25 0.734 4.886 -4.645 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.780 5.002 -4.570 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.179 3.466 -4.332 1.00 0.00 C ATOM 0 H LEU A 25 3.070 6.691 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 25 3.009 4.115 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.959 6.353 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.724 4.720 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 25 1.165 5.553 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.120 4.694 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.075 6.036 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.232 4.360 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.812 3.178 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.777 2.785 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.268 3.415 -4.342 1.00 0.00 H new ATOM 350 N ASP A 26 3.485 4.923 -8.530 1.00 0.00 N ATOM 351 CA ASP A 26 3.884 5.375 -9.859 1.00 0.00 C ATOM 352 C ASP A 26 5.119 6.269 -9.784 1.00 0.00 C ATOM 353 O ASP A 26 5.327 7.127 -10.642 1.00 0.00 O ATOM 354 CB ASP A 26 2.735 6.129 -10.530 1.00 0.00 C ATOM 355 CG ASP A 26 2.842 6.121 -12.042 1.00 0.00 C ATOM 356 OD1 ASP A 26 3.758 6.781 -12.576 1.00 0.00 O ATOM 357 OD2 ASP A 26 2.010 5.453 -12.692 1.00 0.00 O ATOM 0 H ASP A 26 3.494 3.910 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 26 4.130 4.496 -10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.787 5.680 -10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.724 7.159 -10.175 1.00 0.00 H new ATOM 362 N GLY A 27 5.934 6.063 -8.755 1.00 0.00 N ATOM 363 CA GLY A 27 7.137 6.858 -8.590 1.00 0.00 C ATOM 364 C GLY A 27 6.853 8.347 -8.547 1.00 0.00 C ATOM 365 O GLY A 27 7.713 9.160 -8.884 1.00 0.00 O ATOM 0 H GLY A 27 5.783 5.359 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.640 6.562 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.823 6.647 -9.410 1.00 0.00 H new ATOM 369 N GLN A 28 5.640 8.704 -8.134 1.00 0.00 N ATOM 370 CA GLN A 28 5.245 10.105 -8.049 1.00 0.00 C ATOM 371 C GLN A 28 4.166 10.303 -6.989 1.00 0.00 C ATOM 372 O GLN A 28 4.358 11.046 -6.026 1.00 0.00 O ATOM 373 CB GLN A 28 4.736 10.596 -9.407 1.00 0.00 C ATOM 374 CG GLN A 28 5.825 10.706 -10.462 1.00 0.00 C ATOM 375 CD GLN A 28 5.280 11.091 -11.824 1.00 0.00 C ATOM 376 OE1 GLN A 28 4.121 10.824 -12.139 1.00 0.00 O ATOM 377 NE2 GLN A 28 6.117 11.722 -12.639 1.00 0.00 N ATOM 0 H GLN A 28 4.915 8.043 -7.854 1.00 0.00 H new ATOM 0 HA GLN A 28 6.121 10.687 -7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.964 9.915 -9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.266 11.571 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.559 11.447 -10.146 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.348 9.753 -10.540 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.070 11.923 -12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.807 12.006 -13.568 1.00 0.00 H new ATOM 386 N LYS A 29 3.034 9.633 -7.172 1.00 0.00 N ATOM 387 CA LYS A 29 1.925 9.734 -6.231 1.00 0.00 C ATOM 388 C LYS A 29 2.349 9.274 -4.840 1.00 0.00 C ATOM 389 O LYS A 29 3.309 8.518 -4.690 1.00 0.00 O ATOM 390 CB LYS A 29 0.738 8.900 -6.716 1.00 0.00 C ATOM 391 CG LYS A 29 -0.196 9.656 -7.649 1.00 0.00 C ATOM 392 CD LYS A 29 0.059 9.299 -9.105 1.00 0.00 C ATOM 393 CE LYS A 29 0.809 10.408 -9.828 1.00 0.00 C ATOM 394 NZ LYS A 29 0.815 10.204 -11.303 1.00 0.00 N ATOM 0 H LYS A 29 2.860 9.014 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 29 1.625 10.780 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.112 8.014 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.172 8.552 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.231 9.427 -7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.063 10.729 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.634 8.375 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.891 9.113 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.349 11.368 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.835 10.450 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.336 10.980 -11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.277 9.299 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.163 10.189 -11.655 1.00 0.00 H new ATOM 408 N THR A 30 1.625 9.734 -3.823 1.00 0.00 N ATOM 409 CA THR A 30 1.927 9.369 -2.443 1.00 0.00 C ATOM 410 C THR A 30 0.730 8.687 -1.788 1.00 0.00 C ATOM 411 O THR A 30 -0.419 9.033 -2.059 1.00 0.00 O ATOM 412 CB THR A 30 2.324 10.610 -1.641 1.00 0.00 C ATOM 413 OG1 THR A 30 1.733 11.773 -2.193 1.00 0.00 O ATOM 414 CG2 THR A 30 3.820 10.835 -1.591 1.00 0.00 C ATOM 0 H THR A 30 0.826 10.359 -3.929 1.00 0.00 H new ATOM 0 HA THR A 30 2.762 8.669 -2.452 1.00 0.00 H new ATOM 0 HB THR A 30 1.966 10.428 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.997 12.556 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.034 11.730 -1.007 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.302 9.975 -1.126 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.203 10.962 -2.604 1.00 0.00 H new ATOM 422 N GLY A 31 1.009 7.716 -0.924 1.00 0.00 N ATOM 423 CA GLY A 31 -0.054 7.001 -0.244 1.00 0.00 C ATOM 424 C GLY A 31 0.378 6.468 1.108 1.00 0.00 C ATOM 425 O GLY A 31 1.509 6.694 1.539 1.00 0.00 O ATOM 0 H GLY A 31 1.952 7.412 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.908 7.665 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.387 6.172 -0.868 1.00 0.00 H new ATOM 429 N THR A 32 -0.523 5.758 1.778 1.00 0.00 N ATOM 430 CA THR A 32 -0.231 5.191 3.089 1.00 0.00 C ATOM 431 C THR A 32 -0.454 3.682 3.091 1.00 0.00 C ATOM 432 O THR A 32 -1.555 3.207 2.810 1.00 0.00 O ATOM 433 CB THR A 32 -1.103 5.849 4.159 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.150 7.252 3.974 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.622 5.587 5.569 1.00 0.00 C ATOM 0 H THR A 32 -1.463 5.561 1.434 1.00 0.00 H new ATOM 0 HA THR A 32 0.817 5.385 3.316 1.00 0.00 H new ATOM 0 HB THR A 32 -2.090 5.402 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.714 7.655 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.286 6.082 6.278 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.623 4.514 5.760 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.390 5.976 5.686 1.00 0.00 H new ATOM 443 N LEU A 33 0.597 2.934 3.409 1.00 0.00 N ATOM 444 CA LEU A 33 0.514 1.478 3.448 1.00 0.00 C ATOM 445 C LEU A 33 -0.387 1.014 4.588 1.00 0.00 C ATOM 446 O LEU A 33 -0.140 1.325 5.753 1.00 0.00 O ATOM 447 CB LEU A 33 1.910 0.871 3.607 1.00 0.00 C ATOM 448 CG LEU A 33 1.996 -0.633 3.343 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.704 -0.935 1.881 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.365 -1.164 3.736 1.00 0.00 C ATOM 0 H LEU A 33 1.515 3.311 3.643 1.00 0.00 H new ATOM 0 HA LEU A 33 0.082 1.139 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.592 1.383 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.262 1.067 4.620 1.00 0.00 H new ATOM 0 HG LEU A 33 1.245 -1.134 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.770 -2.010 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.701 -0.589 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.432 -0.423 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.409 -2.236 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.133 -0.657 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.536 -0.980 4.797 1.00 0.00 H new ATOM 462 N ARG A 34 -1.433 0.270 4.243 1.00 0.00 N ATOM 463 CA ARG A 34 -2.372 -0.236 5.236 1.00 0.00 C ATOM 464 C ARG A 34 -2.339 -1.761 5.288 1.00 0.00 C ATOM 465 O ARG A 34 -2.421 -2.357 6.361 1.00 0.00 O ATOM 466 CB ARG A 34 -3.789 0.245 4.921 1.00 0.00 C ATOM 467 CG ARG A 34 -3.903 1.754 4.786 1.00 0.00 C ATOM 468 CD ARG A 34 -5.290 2.244 5.171 1.00 0.00 C ATOM 469 NE ARG A 34 -5.505 2.200 6.615 1.00 0.00 N ATOM 470 CZ ARG A 34 -5.044 3.116 7.462 1.00 0.00 C ATOM 471 NH1 ARG A 34 -4.342 4.150 7.015 1.00 0.00 N ATOM 472 NH2 ARG A 34 -5.284 2.998 8.761 1.00 0.00 N ATOM 0 H ARG A 34 -1.651 0.004 3.283 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.074 0.150 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.124 -0.221 3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.462 -0.093 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.157 2.235 5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.685 2.046 3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.425 3.265 4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.042 1.631 4.674 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.041 1.420 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.153 4.245 6.017 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.991 4.849 7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.822 2.205 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.931 3.700 9.411 1.00 0.00 H new ATOM 486 N PHE A 35 -2.220 -2.384 4.121 1.00 0.00 N ATOM 487 CA PHE A 35 -2.177 -3.840 4.034 1.00 0.00 C ATOM 488 C PHE A 35 -1.039 -4.297 3.126 1.00 0.00 C ATOM 489 O PHE A 35 -0.626 -3.573 2.220 1.00 0.00 O ATOM 490 CB PHE A 35 -3.509 -4.380 3.512 1.00 0.00 C ATOM 491 CG PHE A 35 -3.567 -5.880 3.452 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.939 -6.616 4.566 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.248 -6.553 2.284 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.993 -7.997 4.514 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.300 -7.933 2.227 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.673 -8.655 3.343 1.00 0.00 C ATOM 0 H PHE A 35 -2.152 -1.905 3.223 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.000 -4.234 5.035 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.314 -4.019 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.689 -3.977 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.189 -6.106 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.955 -5.993 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.285 -8.560 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.049 -8.446 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.714 -9.733 3.300 1.00 0.00 H new ATOM 506 N CYS A 36 -0.538 -5.502 3.376 1.00 0.00 N ATOM 507 CA CYS A 36 0.552 -6.056 2.582 1.00 0.00 C ATOM 508 C CYS A 36 0.610 -7.573 2.720 1.00 0.00 C ATOM 509 O CYS A 36 0.451 -8.114 3.814 1.00 0.00 O ATOM 510 CB CYS A 36 1.886 -5.442 3.009 1.00 0.00 C ATOM 511 SG CYS A 36 3.264 -5.825 1.902 1.00 0.00 S ATOM 0 H CYS A 36 -0.869 -6.113 4.122 1.00 0.00 H new ATOM 0 HA CYS A 36 0.366 -5.812 1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.773 -4.360 3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.131 -5.793 4.011 1.00 0.00 H new ATOM 0 HG CYS A 36 3.885 -4.727 1.587 1.00 0.00 H new ATOM 517 N GLY A 37 0.836 -8.257 1.602 1.00 0.00 N ATOM 518 CA GLY A 37 0.911 -9.705 1.618 1.00 0.00 C ATOM 519 C GLY A 37 0.042 -10.343 0.553 1.00 0.00 C ATOM 520 O GLY A 37 0.092 -9.953 -0.613 1.00 0.00 O ATOM 0 H GLY A 37 0.969 -7.832 0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.946 -10.014 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.606 -10.071 2.598 1.00 0.00 H new ATOM 524 N THR A 38 -0.758 -11.326 0.954 1.00 0.00 N ATOM 525 CA THR A 38 -1.642 -12.020 0.025 1.00 0.00 C ATOM 526 C THR A 38 -3.096 -11.619 0.257 1.00 0.00 C ATOM 527 O THR A 38 -3.435 -11.047 1.293 1.00 0.00 O ATOM 528 CB THR A 38 -1.488 -13.534 0.175 1.00 0.00 C ATOM 529 OG1 THR A 38 -1.128 -13.872 1.503 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.443 -14.124 -0.748 1.00 0.00 C ATOM 0 H THR A 38 -0.812 -11.660 1.916 1.00 0.00 H new ATOM 0 HA THR A 38 -1.361 -11.733 -0.988 1.00 0.00 H new ATOM 0 HB THR A 38 -2.460 -13.951 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.036 -14.845 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.385 -15.201 -0.590 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.717 -13.923 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.526 -13.673 -0.536 1.00 0.00 H new ATOM 538 N THR A 39 -3.951 -11.925 -0.713 1.00 0.00 N ATOM 539 CA THR A 39 -5.368 -11.597 -0.614 1.00 0.00 C ATOM 540 C THR A 39 -6.227 -12.850 -0.750 1.00 0.00 C ATOM 541 O THR A 39 -5.710 -13.954 -0.923 1.00 0.00 O ATOM 542 CB THR A 39 -5.754 -10.582 -1.691 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.169 -10.922 -2.935 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.333 -9.167 -1.357 1.00 0.00 C ATOM 0 H THR A 39 -3.687 -12.400 -1.576 1.00 0.00 H new ATOM 0 HA THR A 39 -5.546 -11.160 0.369 1.00 0.00 H new ATOM 0 HB THR A 39 -6.842 -10.618 -1.744 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.355 -10.393 -3.069 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.637 -8.497 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.809 -8.856 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.250 -9.127 -1.242 1.00 0.00 H new ATOM 552 N GLU A 40 -7.542 -12.671 -0.672 1.00 0.00 N ATOM 553 CA GLU A 40 -8.474 -13.787 -0.786 1.00 0.00 C ATOM 554 C GLU A 40 -8.920 -13.977 -2.232 1.00 0.00 C ATOM 555 O GLU A 40 -9.215 -15.094 -2.659 1.00 0.00 O ATOM 556 CB GLU A 40 -9.691 -13.556 0.111 1.00 0.00 C ATOM 557 CG GLU A 40 -10.185 -14.816 0.802 1.00 0.00 C ATOM 558 CD GLU A 40 -10.986 -15.712 -0.122 1.00 0.00 C ATOM 559 OE1 GLU A 40 -10.378 -16.577 -0.785 1.00 0.00 O ATOM 560 OE2 GLU A 40 -12.223 -15.549 -0.180 1.00 0.00 O ATOM 0 H GLU A 40 -7.986 -11.764 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.960 -14.692 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.439 -12.812 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.500 -13.139 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.331 -15.371 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.801 -14.539 1.657 1.00 0.00 H new ATOM 567 N PHE A 41 -8.967 -12.881 -2.981 1.00 0.00 N ATOM 568 CA PHE A 41 -9.377 -12.929 -4.380 1.00 0.00 C ATOM 569 C PHE A 41 -8.163 -12.937 -5.304 1.00 0.00 C ATOM 570 O PHE A 41 -8.220 -12.430 -6.425 1.00 0.00 O ATOM 571 CB PHE A 41 -10.276 -11.736 -4.712 1.00 0.00 C ATOM 572 CG PHE A 41 -9.747 -10.424 -4.204 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.625 -9.848 -4.777 1.00 0.00 C ATOM 574 CD2 PHE A 41 -10.372 -9.770 -3.156 1.00 0.00 C ATOM 575 CE1 PHE A 41 -8.135 -8.642 -4.313 1.00 0.00 C ATOM 576 CE2 PHE A 41 -9.887 -8.563 -2.688 1.00 0.00 C ATOM 577 CZ PHE A 41 -8.768 -7.998 -3.267 1.00 0.00 C ATOM 0 H PHE A 41 -8.727 -11.949 -2.643 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.936 -13.852 -4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.399 -11.674 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.265 -11.908 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.128 -10.347 -5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -11.248 -10.207 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.259 -8.204 -4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -10.383 -8.062 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.388 -7.055 -2.903 1.00 0.00 H new ATOM 587 N ALA A 42 -7.068 -13.518 -4.827 1.00 0.00 N ATOM 588 CA ALA A 42 -5.840 -13.593 -5.611 1.00 0.00 C ATOM 589 C ALA A 42 -4.813 -14.496 -4.938 1.00 0.00 C ATOM 590 O ALA A 42 -4.762 -14.588 -3.711 1.00 0.00 O ATOM 591 CB ALA A 42 -5.264 -12.201 -5.823 1.00 0.00 C ATOM 0 H ALA A 42 -7.005 -13.944 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.084 -14.025 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.348 -12.272 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.989 -11.585 -6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.042 -11.748 -4.857 1.00 0.00 H new ATOM 597 N SER A 43 -3.996 -15.162 -5.748 1.00 0.00 N ATOM 598 CA SER A 43 -2.970 -16.059 -5.231 1.00 0.00 C ATOM 599 C SER A 43 -1.574 -15.538 -5.562 1.00 0.00 C ATOM 600 O SER A 43 -0.663 -16.315 -5.851 1.00 0.00 O ATOM 601 CB SER A 43 -3.153 -17.464 -5.808 1.00 0.00 C ATOM 602 OG SER A 43 -4.522 -17.824 -5.850 1.00 0.00 O ATOM 0 H SER A 43 -4.025 -15.097 -6.766 1.00 0.00 H new ATOM 0 HA SER A 43 -3.074 -16.103 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.732 -17.506 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.603 -18.184 -5.202 1.00 0.00 H new ATOM 0 HG SER A 43 -4.612 -18.725 -6.224 1.00 0.00 H new ATOM 608 N GLY A 44 -1.415 -14.220 -5.520 1.00 0.00 N ATOM 609 CA GLY A 44 -0.128 -13.618 -5.818 1.00 0.00 C ATOM 610 C GLY A 44 0.275 -12.574 -4.796 1.00 0.00 C ATOM 611 O GLY A 44 -0.146 -12.632 -3.640 1.00 0.00 O ATOM 0 H GLY A 44 -2.154 -13.557 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.634 -14.397 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.165 -13.159 -6.806 1.00 0.00 H new ATOM 615 N GLN A 45 1.093 -11.617 -5.220 1.00 0.00 N ATOM 616 CA GLN A 45 1.554 -10.556 -4.332 1.00 0.00 C ATOM 617 C GLN A 45 0.715 -9.294 -4.512 1.00 0.00 C ATOM 618 O GLN A 45 0.592 -8.770 -5.619 1.00 0.00 O ATOM 619 CB GLN A 45 3.028 -10.244 -4.598 1.00 0.00 C ATOM 620 CG GLN A 45 3.986 -11.167 -3.866 1.00 0.00 C ATOM 621 CD GLN A 45 4.538 -12.261 -4.760 1.00 0.00 C ATOM 622 OE1 GLN A 45 5.302 -11.994 -5.688 1.00 0.00 O ATOM 623 NE2 GLN A 45 4.153 -13.502 -4.484 1.00 0.00 N ATOM 0 H GLN A 45 1.451 -11.554 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 45 1.443 -10.902 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.218 -10.312 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.232 -9.215 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.812 -10.581 -3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.472 -11.620 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.518 -13.678 -3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.492 -14.279 -5.051 1.00 0.00 H new ATOM 632 N TRP A 46 0.139 -8.812 -3.415 1.00 0.00 N ATOM 633 CA TRP A 46 -0.689 -7.612 -3.451 1.00 0.00 C ATOM 634 C TRP A 46 -0.451 -6.751 -2.214 1.00 0.00 C ATOM 635 O TRP A 46 0.054 -7.230 -1.199 1.00 0.00 O ATOM 636 CB TRP A 46 -2.167 -7.991 -3.547 1.00 0.00 C ATOM 637 CG TRP A 46 -2.492 -8.817 -4.754 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.428 -10.176 -4.858 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.931 -8.336 -6.030 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.801 -10.571 -6.120 1.00 0.00 N ATOM 641 CE2 TRP A 46 -3.113 -9.460 -6.858 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.187 -7.066 -6.553 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.541 -9.350 -8.179 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.611 -6.958 -7.865 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.785 -8.094 -8.664 1.00 0.00 C ATOM 0 H TRP A 46 0.230 -9.234 -2.491 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.412 -7.034 -4.333 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.452 -8.542 -2.651 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.767 -7.081 -3.566 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.128 -10.844 -4.064 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.839 -11.534 -6.453 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.056 -6.184 -5.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.675 -10.225 -8.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.811 -5.981 -8.280 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.119 -7.977 -9.684 1.00 0.00 H new ATOM 656 N VAL A 47 -0.819 -5.477 -2.309 1.00 0.00 N ATOM 657 CA VAL A 47 -0.646 -4.548 -1.198 1.00 0.00 C ATOM 658 C VAL A 47 -1.701 -3.448 -1.232 1.00 0.00 C ATOM 659 O VAL A 47 -1.979 -2.874 -2.285 1.00 0.00 O ATOM 660 CB VAL A 47 0.753 -3.903 -1.217 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.825 -4.940 -0.918 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.012 -3.226 -2.556 1.00 0.00 C ATOM 0 H VAL A 47 -1.238 -5.065 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.758 -5.127 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 47 0.792 -3.141 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.806 -4.465 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.649 -5.372 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.789 -5.728 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.005 -2.776 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.953 -3.965 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.264 -2.451 -2.723 1.00 0.00 H new ATOM 672 N GLY A 48 -2.285 -3.159 -0.074 1.00 0.00 N ATOM 673 CA GLY A 48 -3.303 -2.129 0.007 1.00 0.00 C ATOM 674 C GLY A 48 -2.755 -0.812 0.522 1.00 0.00 C ATOM 675 O GLY A 48 -2.194 -0.751 1.616 1.00 0.00 O ATOM 0 H GLY A 48 -2.071 -3.620 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.740 -1.976 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.106 -2.466 0.663 1.00 0.00 H new ATOM 679 N VAL A 49 -2.918 0.244 -0.268 1.00 0.00 N ATOM 680 CA VAL A 49 -2.435 1.566 0.113 1.00 0.00 C ATOM 681 C VAL A 49 -3.489 2.634 -0.157 1.00 0.00 C ATOM 682 O VAL A 49 -4.130 2.637 -1.208 1.00 0.00 O ATOM 683 CB VAL A 49 -1.144 1.932 -0.641 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.546 3.216 -0.085 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.140 0.792 -0.567 1.00 0.00 C ATOM 0 H VAL A 49 -3.381 0.210 -1.176 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.223 1.530 1.182 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.393 2.098 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.366 3.459 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.263 4.029 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.312 3.081 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.766 1.070 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.105 0.590 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.571 -0.102 -1.018 1.00 0.00 H new ATOM 695 N GLU A 50 -3.661 3.542 0.798 1.00 0.00 N ATOM 696 CA GLU A 50 -4.637 4.618 0.662 1.00 0.00 C ATOM 697 C GLU A 50 -4.076 5.758 -0.182 1.00 0.00 C ATOM 698 O GLU A 50 -2.999 6.282 0.104 1.00 0.00 O ATOM 699 CB GLU A 50 -5.047 5.140 2.040 1.00 0.00 C ATOM 700 CG GLU A 50 -6.520 5.501 2.142 1.00 0.00 C ATOM 701 CD GLU A 50 -6.905 5.997 3.521 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.538 5.335 4.515 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.574 7.048 3.609 1.00 0.00 O ATOM 0 H GLU A 50 -3.138 3.555 1.674 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.516 4.216 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.814 4.383 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.449 6.019 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.754 6.270 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.122 4.627 1.893 1.00 0.00 H new ATOM 710 N LEU A 51 -4.811 6.135 -1.221 1.00 0.00 N ATOM 711 CA LEU A 51 -4.386 7.213 -2.107 1.00 0.00 C ATOM 712 C LEU A 51 -4.570 8.573 -1.439 1.00 0.00 C ATOM 713 O LEU A 51 -5.628 8.862 -0.880 1.00 0.00 O ATOM 714 CB LEU A 51 -5.174 7.165 -3.418 1.00 0.00 C ATOM 715 CG LEU A 51 -4.672 6.141 -4.437 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.801 5.709 -5.359 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.515 6.713 -5.240 1.00 0.00 C ATOM 0 H LEU A 51 -5.704 5.711 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.326 7.075 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.217 6.946 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.148 8.154 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.315 5.264 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.425 4.980 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.600 5.259 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.188 6.578 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.170 5.971 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.846 7.606 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.698 6.972 -4.567 1.00 0.00 H new ATOM 729 N ASP A 52 -3.534 9.402 -1.502 1.00 0.00 N ATOM 730 CA ASP A 52 -3.581 10.731 -0.904 1.00 0.00 C ATOM 731 C ASP A 52 -4.680 11.576 -1.540 1.00 0.00 C ATOM 732 O ASP A 52 -5.329 12.376 -0.866 1.00 0.00 O ATOM 733 CB ASP A 52 -2.229 11.431 -1.058 1.00 0.00 C ATOM 734 CG ASP A 52 -2.121 12.676 -0.199 1.00 0.00 C ATOM 735 OD1 ASP A 52 -3.006 13.551 -0.309 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.152 12.776 0.583 1.00 0.00 O ATOM 0 H ASP A 52 -2.651 9.177 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.804 10.617 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.432 10.738 -0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.079 11.700 -2.104 1.00 0.00 H new ATOM 741 N GLU A 53 -4.883 11.392 -2.840 1.00 0.00 N ATOM 742 CA GLU A 53 -5.903 12.137 -3.567 1.00 0.00 C ATOM 743 C GLU A 53 -7.215 11.356 -3.621 1.00 0.00 C ATOM 744 O GLU A 53 -7.223 10.132 -3.480 1.00 0.00 O ATOM 745 CB GLU A 53 -5.424 12.448 -4.985 1.00 0.00 C ATOM 746 CG GLU A 53 -4.382 13.553 -5.047 1.00 0.00 C ATOM 747 CD GLU A 53 -4.986 14.933 -4.873 1.00 0.00 C ATOM 748 OE1 GLU A 53 -5.816 15.108 -3.956 1.00 0.00 O ATOM 749 OE2 GLU A 53 -4.629 15.840 -5.655 1.00 0.00 O ATOM 0 H GLU A 53 -4.354 10.733 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.080 13.073 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.007 11.542 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.281 12.734 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.635 13.387 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.863 13.505 -6.005 1.00 0.00 H new ATOM 756 N PRO A 54 -8.344 12.055 -3.827 1.00 0.00 N ATOM 757 CA PRO A 54 -9.663 11.419 -3.900 1.00 0.00 C ATOM 758 C PRO A 54 -9.829 10.578 -5.162 1.00 0.00 C ATOM 759 O PRO A 54 -10.651 10.889 -6.025 1.00 0.00 O ATOM 760 CB PRO A 54 -10.630 12.605 -3.914 1.00 0.00 C ATOM 761 CG PRO A 54 -9.836 13.735 -4.471 1.00 0.00 C ATOM 762 CD PRO A 54 -8.422 13.517 -4.007 1.00 0.00 C ATOM 0 HA PRO A 54 -9.830 10.728 -3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.505 12.395 -4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.992 12.832 -2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.891 13.751 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.219 14.692 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.699 13.871 -4.742 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.218 14.048 -3.077 1.00 0.00 H new ATOM 770 N GLU A 55 -9.044 9.510 -5.261 1.00 0.00 N ATOM 771 CA GLU A 55 -9.104 8.623 -6.418 1.00 0.00 C ATOM 772 C GLU A 55 -9.121 7.161 -5.983 1.00 0.00 C ATOM 773 O GLU A 55 -8.643 6.820 -4.900 1.00 0.00 O ATOM 774 CB GLU A 55 -7.911 8.878 -7.343 1.00 0.00 C ATOM 775 CG GLU A 55 -8.164 8.470 -8.785 1.00 0.00 C ATOM 776 CD GLU A 55 -9.111 9.412 -9.500 1.00 0.00 C ATOM 777 OE1 GLU A 55 -8.817 10.625 -9.552 1.00 0.00 O ATOM 778 OE2 GLU A 55 -10.149 8.937 -10.009 1.00 0.00 O ATOM 0 H GLU A 55 -8.360 9.238 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.027 8.833 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.658 9.938 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.046 8.333 -6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.216 8.438 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.576 7.461 -8.806 1.00 0.00 H new ATOM 785 N GLY A 56 -9.673 6.302 -6.834 1.00 0.00 N ATOM 786 CA GLY A 56 -9.741 4.888 -6.518 1.00 0.00 C ATOM 787 C GLY A 56 -11.044 4.255 -6.969 1.00 0.00 C ATOM 788 O GLY A 56 -11.726 4.783 -7.847 1.00 0.00 O ATOM 0 H GLY A 56 -10.074 6.560 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.906 4.372 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.628 4.753 -5.442 1.00 0.00 H new ATOM 792 N LYS A 57 -11.388 3.121 -6.368 1.00 0.00 N ATOM 793 CA LYS A 57 -12.616 2.415 -6.712 1.00 0.00 C ATOM 794 C LYS A 57 -13.219 1.740 -5.484 1.00 0.00 C ATOM 795 O LYS A 57 -14.416 1.863 -5.221 1.00 0.00 O ATOM 796 CB LYS A 57 -12.343 1.373 -7.798 1.00 0.00 C ATOM 797 CG LYS A 57 -13.471 1.235 -8.807 1.00 0.00 C ATOM 798 CD LYS A 57 -13.179 2.011 -10.081 1.00 0.00 C ATOM 799 CE LYS A 57 -14.162 1.660 -11.185 1.00 0.00 C ATOM 800 NZ LYS A 57 -14.187 0.197 -11.463 1.00 0.00 N ATOM 0 H LYS A 57 -10.833 2.671 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.331 3.146 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.427 1.641 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.169 0.406 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.619 0.182 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.401 1.595 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.227 3.080 -9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.164 1.796 -10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.160 1.993 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.894 2.198 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.539 0.033 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.226 -0.190 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.814 -0.275 -10.781 1.00 0.00 H new ATOM 814 N ASN A 58 -12.383 1.029 -4.735 1.00 0.00 N ATOM 815 CA ASN A 58 -12.833 0.335 -3.535 1.00 0.00 C ATOM 816 C ASN A 58 -12.715 1.235 -2.308 1.00 0.00 C ATOM 817 O ASN A 58 -11.889 2.147 -2.273 1.00 0.00 O ATOM 818 CB ASN A 58 -12.019 -0.943 -3.322 1.00 0.00 C ATOM 819 CG ASN A 58 -12.073 -1.868 -4.523 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.853 -2.820 -4.553 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.241 -1.591 -5.521 1.00 0.00 N ATOM 0 H ASN A 58 -11.390 0.918 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.882 0.072 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.982 -0.680 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.395 -1.469 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.232 -2.178 -6.355 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.611 -0.791 -5.453 1.00 0.00 H new ATOM 828 N ASP A 59 -13.546 0.972 -1.306 1.00 0.00 N ATOM 829 CA ASP A 59 -13.536 1.758 -0.077 1.00 0.00 C ATOM 830 C ASP A 59 -12.760 1.036 1.022 1.00 0.00 C ATOM 831 O ASP A 59 -13.055 1.191 2.207 1.00 0.00 O ATOM 832 CB ASP A 59 -14.968 2.037 0.386 1.00 0.00 C ATOM 833 CG ASP A 59 -15.424 3.441 0.038 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.514 3.754 -1.168 1.00 0.00 O ATOM 835 OD2 ASP A 59 -15.691 4.227 0.971 1.00 0.00 O ATOM 0 H ASP A 59 -14.235 0.220 -1.320 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.040 2.706 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.643 1.314 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.033 1.894 1.465 1.00 0.00 H new ATOM 840 N GLY A 60 -11.768 0.248 0.620 1.00 0.00 N ATOM 841 CA GLY A 60 -10.966 -0.484 1.583 1.00 0.00 C ATOM 842 C GLY A 60 -11.445 -1.910 1.775 1.00 0.00 C ATOM 843 O GLY A 60 -10.648 -2.808 2.043 1.00 0.00 O ATOM 0 H GLY A 60 -11.505 0.103 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.927 -0.495 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.990 0.036 2.541 1.00 0.00 H new ATOM 847 N SER A 61 -12.751 -2.118 1.636 1.00 0.00 N ATOM 848 CA SER A 61 -13.334 -3.445 1.797 1.00 0.00 C ATOM 849 C SER A 61 -13.831 -3.986 0.460 1.00 0.00 C ATOM 850 O SER A 61 -14.295 -3.230 -0.394 1.00 0.00 O ATOM 851 CB SER A 61 -14.486 -3.400 2.802 1.00 0.00 C ATOM 852 OG SER A 61 -15.489 -2.486 2.389 1.00 0.00 O ATOM 0 H SER A 61 -13.424 -1.385 1.413 1.00 0.00 H new ATOM 0 HA SER A 61 -12.559 -4.112 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.918 -4.395 2.909 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.107 -3.110 3.782 1.00 0.00 H new ATOM 0 HG SER A 61 -16.215 -2.477 3.047 1.00 0.00 H new ATOM 858 N VAL A 62 -13.732 -5.300 0.286 1.00 0.00 N ATOM 859 CA VAL A 62 -14.171 -5.943 -0.947 1.00 0.00 C ATOM 860 C VAL A 62 -15.150 -7.075 -0.656 1.00 0.00 C ATOM 861 O VAL A 62 -14.760 -8.140 -0.180 1.00 0.00 O ATOM 862 CB VAL A 62 -12.978 -6.506 -1.743 1.00 0.00 C ATOM 863 CG1 VAL A 62 -13.431 -6.994 -3.111 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.885 -5.456 -1.878 1.00 0.00 C ATOM 0 H VAL A 62 -13.352 -5.940 0.983 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.668 -5.178 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.569 -7.356 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.575 -7.388 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.176 -7.780 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.867 -6.164 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.050 -5.871 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.280 -4.585 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.541 -5.159 -0.887 1.00 0.00 H new ATOM 874 N GLY A 63 -16.426 -6.835 -0.945 1.00 0.00 N ATOM 875 CA GLY A 63 -17.442 -7.844 -0.708 1.00 0.00 C ATOM 876 C GLY A 63 -17.579 -8.195 0.761 1.00 0.00 C ATOM 877 O GLY A 63 -18.251 -7.490 1.514 1.00 0.00 O ATOM 0 H GLY A 63 -16.774 -5.961 -1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.400 -7.485 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.195 -8.744 -1.272 1.00 0.00 H new ATOM 881 N GLY A 64 -16.940 -9.286 1.168 1.00 0.00 N ATOM 882 CA GLY A 64 -17.006 -9.711 2.555 1.00 0.00 C ATOM 883 C GLY A 64 -15.643 -9.743 3.217 1.00 0.00 C ATOM 884 O GLY A 64 -15.413 -10.523 4.142 1.00 0.00 O ATOM 0 H GLY A 64 -16.377 -9.884 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.659 -9.036 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.455 -10.703 2.607 1.00 0.00 H new ATOM 888 N VAL A 65 -14.736 -8.895 2.744 1.00 0.00 N ATOM 889 CA VAL A 65 -13.389 -8.830 3.296 1.00 0.00 C ATOM 890 C VAL A 65 -12.972 -7.387 3.560 1.00 0.00 C ATOM 891 O VAL A 65 -12.885 -6.577 2.637 1.00 0.00 O ATOM 892 CB VAL A 65 -12.363 -9.484 2.352 1.00 0.00 C ATOM 893 CG1 VAL A 65 -11.004 -9.586 3.028 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.847 -10.854 1.903 1.00 0.00 C ATOM 0 H VAL A 65 -14.910 -8.243 1.979 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.407 -9.379 4.238 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.257 -8.854 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.292 -10.051 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.654 -8.588 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.091 -10.192 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.109 -11.300 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.984 -11.495 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.795 -10.750 1.376 1.00 0.00 H new ATOM 904 N ARG A 66 -12.714 -7.073 4.825 1.00 0.00 N ATOM 905 CA ARG A 66 -12.305 -5.727 5.210 1.00 0.00 C ATOM 906 C ARG A 66 -10.793 -5.648 5.390 1.00 0.00 C ATOM 907 O ARG A 66 -10.206 -6.430 6.138 1.00 0.00 O ATOM 908 CB ARG A 66 -13.007 -5.309 6.504 1.00 0.00 C ATOM 909 CG ARG A 66 -12.685 -3.887 6.937 1.00 0.00 C ATOM 910 CD ARG A 66 -13.295 -3.566 8.292 1.00 0.00 C ATOM 911 NE ARG A 66 -13.799 -2.197 8.354 1.00 0.00 N ATOM 912 CZ ARG A 66 -14.673 -1.769 9.262 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.143 -2.599 10.186 1.00 0.00 N ATOM 914 NH2 ARG A 66 -15.079 -0.507 9.247 1.00 0.00 N ATOM 0 H ARG A 66 -12.781 -7.732 5.601 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.593 -5.044 4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.085 -5.404 6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.722 -5.996 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.604 -3.755 6.983 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.060 -3.185 6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.109 -4.262 8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.546 -3.712 9.071 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.461 -1.529 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.834 -3.571 10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.813 -2.264 10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.722 0.135 8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.749 -0.178 9.943 1.00 0.00 H new ATOM 928 N TYR A 67 -10.168 -4.701 4.698 1.00 0.00 N ATOM 929 CA TYR A 67 -8.724 -4.521 4.780 1.00 0.00 C ATOM 930 C TYR A 67 -8.375 -3.296 5.620 1.00 0.00 C ATOM 931 O TYR A 67 -7.356 -3.275 6.310 1.00 0.00 O ATOM 932 CB TYR A 67 -8.126 -4.380 3.379 1.00 0.00 C ATOM 933 CG TYR A 67 -8.365 -5.583 2.494 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.650 -5.938 2.103 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.304 -6.363 2.049 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.871 -7.037 1.294 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.518 -7.462 1.240 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.803 -7.795 0.865 1.00 0.00 C ATOM 939 OH TYR A 67 -9.020 -8.890 0.061 1.00 0.00 O ATOM 0 H TYR A 67 -10.640 -4.046 4.074 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.300 -5.402 5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.549 -3.497 2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.053 -4.212 3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.490 -5.346 2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.296 -6.106 2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.876 -7.300 0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.683 -8.058 0.903 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.838 -8.652 -0.872 1.00 0.00 H new ATOM 949 N PHE A 68 -9.226 -2.278 5.555 1.00 0.00 N ATOM 950 CA PHE A 68 -9.006 -1.048 6.308 1.00 0.00 C ATOM 951 C PHE A 68 -10.164 -0.075 6.113 1.00 0.00 C ATOM 952 O PHE A 68 -11.134 -0.379 5.418 1.00 0.00 O ATOM 953 CB PHE A 68 -7.694 -0.389 5.878 1.00 0.00 C ATOM 954 CG PHE A 68 -7.490 -0.370 4.389 1.00 0.00 C ATOM 955 CD1 PHE A 68 -8.078 0.611 3.608 1.00 0.00 C ATOM 956 CD2 PHE A 68 -6.709 -1.334 3.772 1.00 0.00 C ATOM 957 CE1 PHE A 68 -7.892 0.631 2.240 1.00 0.00 C ATOM 958 CE2 PHE A 68 -6.519 -1.320 2.404 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.111 -0.335 1.636 1.00 0.00 C ATOM 0 H PHE A 68 -10.074 -2.280 4.989 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.946 -1.306 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.671 0.634 6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.862 -0.917 6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.689 1.369 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.243 -2.105 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.357 1.401 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.909 -2.078 1.935 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.963 -0.321 0.566 1.00 0.00 H new ATOM 969 N ILE A 69 -10.056 1.096 6.731 1.00 0.00 N ATOM 970 CA ILE A 69 -11.095 2.116 6.626 1.00 0.00 C ATOM 971 C ILE A 69 -10.577 3.354 5.903 1.00 0.00 C ATOM 972 O ILE A 69 -9.655 4.019 6.374 1.00 0.00 O ATOM 973 CB ILE A 69 -11.621 2.528 8.014 1.00 0.00 C ATOM 974 CG1 ILE A 69 -11.960 1.290 8.845 1.00 0.00 C ATOM 975 CG2 ILE A 69 -12.840 3.428 7.871 1.00 0.00 C ATOM 976 CD1 ILE A 69 -12.168 1.588 10.314 1.00 0.00 C ATOM 0 H ILE A 69 -9.260 1.363 7.310 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.912 1.678 6.052 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.840 3.085 8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.863 0.829 8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.157 0.561 8.740 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.201 3.711 8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.567 4.324 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.626 2.894 7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.405 0.665 10.843 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.258 2.021 10.730 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.991 2.293 10.429 1.00 0.00 H new ATOM 988 N CYS A 70 -11.175 3.657 4.756 1.00 0.00 N ATOM 989 CA CYS A 70 -10.774 4.817 3.967 1.00 0.00 C ATOM 990 C CYS A 70 -11.993 5.514 3.367 1.00 0.00 C ATOM 991 O CYS A 70 -13.042 4.896 3.183 1.00 0.00 O ATOM 992 CB CYS A 70 -9.815 4.394 2.853 1.00 0.00 C ATOM 993 SG CYS A 70 -10.447 3.070 1.797 1.00 0.00 S ATOM 0 H CYS A 70 -11.939 3.116 4.352 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.265 5.518 4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.590 5.262 2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.876 4.070 3.301 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.903 1.941 2.143 1.00 0.00 H new ATOM 999 N PRO A 71 -11.868 6.814 3.048 1.00 0.00 N ATOM 1000 CA PRO A 71 -12.965 7.593 2.462 1.00 0.00 C ATOM 1001 C PRO A 71 -13.471 6.981 1.159 1.00 0.00 C ATOM 1002 O PRO A 71 -12.889 6.023 0.648 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.339 8.971 2.203 1.00 0.00 C ATOM 1004 CG PRO A 71 -10.864 8.753 2.262 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.655 7.625 3.228 1.00 0.00 C ATOM 0 HA PRO A 71 -13.834 7.629 3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.640 9.363 1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.659 9.695 2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.466 8.504 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.349 9.654 2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.752 7.059 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.556 7.983 4.253 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.566 7.526 0.600 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.146 7.025 -0.651 1.00 0.00 C ATOM 1015 C PRO A 72 -14.150 7.062 -1.804 1.00 0.00 C ATOM 1016 O PRO A 72 -13.718 8.132 -2.233 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.319 7.978 -0.923 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.060 9.173 -0.069 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.323 8.667 1.136 1.00 0.00 C ATOM 0 HA PRO A 72 -15.448 5.981 -0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.368 8.251 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.271 7.512 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.469 9.915 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.993 9.657 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.665 9.427 1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.006 8.363 1.929 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.789 5.884 -2.304 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.842 5.778 -3.409 1.00 0.00 C ATOM 1029 C LYS A 73 -11.484 6.351 -3.021 1.00 0.00 C ATOM 1030 O LYS A 73 -11.132 7.463 -3.414 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.383 6.503 -4.643 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.671 5.904 -5.185 1.00 0.00 C ATOM 1033 CD LYS A 73 -14.931 6.345 -6.617 1.00 0.00 C ATOM 1034 CE LYS A 73 -16.323 5.948 -7.078 1.00 0.00 C ATOM 1035 NZ LYS A 73 -16.330 4.616 -7.743 1.00 0.00 N ATOM 0 H LYS A 73 -14.138 4.989 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.714 4.721 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.556 7.550 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.625 6.484 -5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.614 4.816 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.507 6.204 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.816 7.426 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.187 5.899 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.997 5.930 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.705 6.700 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.298 4.383 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.707 4.640 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.990 3.894 -7.077 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.723 5.583 -2.247 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.401 6.014 -1.806 1.00 0.00 C ATOM 1051 C GLN A 74 -8.549 4.818 -1.390 1.00 0.00 C ATOM 1052 O GLN A 74 -7.664 4.940 -0.542 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.524 6.998 -0.641 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.395 8.014 -0.584 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.895 9.431 -0.375 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.867 9.856 -0.999 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.228 10.170 0.504 1.00 0.00 N ATOM 0 H GLN A 74 -10.999 4.660 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.911 6.512 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.474 7.526 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.547 6.440 0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.714 7.750 0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.822 7.968 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.428 9.776 0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.516 11.132 0.685 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.819 3.665 -1.992 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.067 2.466 -1.671 1.00 0.00 C ATOM 1068 C GLY A 75 -7.741 1.641 -2.901 1.00 0.00 C ATOM 1069 O GLY A 75 -8.631 1.291 -3.675 1.00 0.00 O ATOM 0 H GLY A 75 -9.545 3.539 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.141 2.745 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.639 1.858 -0.970 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.461 1.331 -3.082 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.021 0.544 -4.228 1.00 0.00 C ATOM 1075 C LEU A 76 -5.210 -0.668 -3.778 1.00 0.00 C ATOM 1076 O LEU A 76 -4.494 -0.612 -2.778 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.186 1.407 -5.175 1.00 0.00 C ATOM 1078 CG LEU A 76 -4.912 0.786 -6.545 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.093 1.009 -7.478 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -3.639 1.363 -7.147 1.00 0.00 C ATOM 0 H LEU A 76 -5.711 1.613 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.907 0.190 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.697 2.359 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.232 1.627 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.775 -0.288 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.880 0.560 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.985 0.548 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.262 2.079 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.460 0.910 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.748 2.441 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.797 1.152 -6.488 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.328 -1.761 -4.525 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.606 -2.988 -4.206 1.00 0.00 C ATOM 1094 C PHE A 77 -3.823 -3.486 -5.416 1.00 0.00 C ATOM 1095 O PHE A 77 -4.402 -4.006 -6.371 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.578 -4.069 -3.732 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.231 -3.754 -2.415 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -5.558 -3.972 -1.225 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.518 -3.243 -2.370 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -6.157 -3.684 -0.012 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.121 -2.953 -1.161 1.00 0.00 C ATOM 1102 CZ PHE A 77 -7.440 -3.174 0.019 1.00 0.00 C ATOM 0 H PHE A 77 -5.917 -1.822 -5.356 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.901 -2.768 -3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.351 -4.208 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.043 -5.015 -3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.555 -4.371 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.056 -3.069 -3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.622 -3.858 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.124 -2.554 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.910 -2.948 0.965 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.505 -3.324 -5.371 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.644 -3.757 -6.465 1.00 0.00 C ATOM 1114 C ALA A 78 -0.464 -4.571 -5.948 1.00 0.00 C ATOM 1115 O ALA A 78 -0.291 -4.735 -4.740 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.152 -2.554 -7.256 1.00 0.00 C ATOM 0 H ALA A 78 -2.010 -2.896 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.231 -4.397 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.510 -2.891 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.006 -2.015 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.587 -1.893 -6.599 1.00 0.00 H new ATOM 1122 N SER A 79 0.346 -5.081 -6.871 1.00 0.00 N ATOM 1123 CA SER A 79 1.511 -5.880 -6.510 1.00 0.00 C ATOM 1124 C SER A 79 2.644 -4.991 -6.006 1.00 0.00 C ATOM 1125 O SER A 79 2.614 -3.773 -6.178 1.00 0.00 O ATOM 1126 CB SER A 79 1.985 -6.700 -7.711 1.00 0.00 C ATOM 1127 OG SER A 79 0.895 -7.320 -8.368 1.00 0.00 O ATOM 0 H SER A 79 0.216 -4.955 -7.875 1.00 0.00 H new ATOM 0 HA SER A 79 1.222 -6.559 -5.708 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.515 -6.053 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.693 -7.459 -7.380 1.00 0.00 H new ATOM 0 HG SER A 79 0.470 -7.962 -7.762 1.00 0.00 H new ATOM 1133 N VAL A 80 3.643 -5.610 -5.384 1.00 0.00 N ATOM 1134 CA VAL A 80 4.786 -4.876 -4.855 1.00 0.00 C ATOM 1135 C VAL A 80 5.565 -4.191 -5.973 1.00 0.00 C ATOM 1136 O VAL A 80 6.182 -3.147 -5.763 1.00 0.00 O ATOM 1137 CB VAL A 80 5.737 -5.803 -4.076 1.00 0.00 C ATOM 1138 CG1 VAL A 80 5.127 -6.193 -2.739 1.00 0.00 C ATOM 1139 CG2 VAL A 80 6.071 -7.039 -4.898 1.00 0.00 C ATOM 0 H VAL A 80 3.683 -6.618 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 80 4.390 -4.121 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 80 6.663 -5.262 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.814 -6.848 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.945 -5.296 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.185 -6.715 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.744 -7.682 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.154 -7.584 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.554 -6.738 -5.828 1.00 0.00 H new ATOM 1149 N SER A 81 5.535 -4.786 -7.162 1.00 0.00 N ATOM 1150 CA SER A 81 6.241 -4.232 -8.312 1.00 0.00 C ATOM 1151 C SER A 81 5.744 -2.824 -8.631 1.00 0.00 C ATOM 1152 O SER A 81 6.497 -1.989 -9.131 1.00 0.00 O ATOM 1153 CB SER A 81 6.061 -5.140 -9.531 1.00 0.00 C ATOM 1154 OG SER A 81 7.304 -5.403 -10.158 1.00 0.00 O ATOM 0 H SER A 81 5.030 -5.651 -7.354 1.00 0.00 H new ATOM 0 HA SER A 81 7.301 -4.174 -8.064 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.599 -6.078 -9.224 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.383 -4.669 -10.243 1.00 0.00 H new ATOM 0 HG SER A 81 7.163 -5.986 -10.933 1.00 0.00 H new ATOM 1160 N LYS A 82 4.473 -2.569 -8.338 1.00 0.00 N ATOM 1161 CA LYS A 82 3.878 -1.262 -8.593 1.00 0.00 C ATOM 1162 C LYS A 82 3.870 -0.410 -7.328 1.00 0.00 C ATOM 1163 O LYS A 82 2.930 0.345 -7.082 1.00 0.00 O ATOM 1164 CB LYS A 82 2.452 -1.423 -9.122 1.00 0.00 C ATOM 1165 CG LYS A 82 2.355 -2.315 -10.350 1.00 0.00 C ATOM 1166 CD LYS A 82 1.556 -1.654 -11.463 1.00 0.00 C ATOM 1167 CE LYS A 82 0.073 -1.963 -11.343 1.00 0.00 C ATOM 1168 NZ LYS A 82 -0.770 -0.784 -11.688 1.00 0.00 N ATOM 0 H LYS A 82 3.836 -3.249 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 82 4.483 -0.756 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.825 -1.837 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.050 -0.439 -9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.357 -2.549 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.886 -3.260 -10.077 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.708 -0.575 -11.430 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.923 -1.998 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.179 -2.794 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.150 -2.283 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.775 -1.036 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.548 0.002 -11.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.576 -0.494 -12.668 1.00 0.00 H new ATOM 1182 N ILE A 83 4.924 -0.537 -6.529 1.00 0.00 N ATOM 1183 CA ILE A 83 5.038 0.223 -5.289 1.00 0.00 C ATOM 1184 C ILE A 83 6.467 0.711 -5.073 1.00 0.00 C ATOM 1185 O ILE A 83 7.422 0.093 -5.543 1.00 0.00 O ATOM 1186 CB ILE A 83 4.607 -0.619 -4.073 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.259 -1.290 -4.343 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.533 0.251 -2.827 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.113 -0.312 -4.493 1.00 0.00 C ATOM 0 H ILE A 83 5.711 -1.158 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 83 4.373 1.082 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 83 5.351 -1.397 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.336 -1.888 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.035 -1.977 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.227 -0.358 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.512 0.686 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.806 1.048 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.190 -0.860 -4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.009 0.269 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.314 0.359 -5.328 1.00 0.00 H new ATOM 1201 N SER A 84 6.604 1.823 -4.358 1.00 0.00 N ATOM 1202 CA SER A 84 7.917 2.393 -4.079 1.00 0.00 C ATOM 1203 C SER A 84 7.947 3.030 -2.694 1.00 0.00 C ATOM 1204 O SER A 84 6.903 3.334 -2.116 1.00 0.00 O ATOM 1205 CB SER A 84 8.280 3.433 -5.140 1.00 0.00 C ATOM 1206 OG SER A 84 9.018 2.848 -6.199 1.00 0.00 O ATOM 0 H SER A 84 5.823 2.346 -3.962 1.00 0.00 H new ATOM 0 HA SER A 84 8.650 1.587 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.371 3.887 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.864 4.233 -4.684 1.00 0.00 H new ATOM 0 HG SER A 84 8.786 1.899 -6.274 1.00 0.00 H new ATOM 1212 N LYS A 85 9.150 3.229 -2.166 1.00 0.00 N ATOM 1213 CA LYS A 85 9.315 3.831 -0.847 1.00 0.00 C ATOM 1214 C LYS A 85 9.140 5.345 -0.916 1.00 0.00 C ATOM 1215 O LYS A 85 9.691 6.004 -1.797 1.00 0.00 O ATOM 1216 CB LYS A 85 10.692 3.487 -0.275 1.00 0.00 C ATOM 1217 CG LYS A 85 10.654 2.404 0.791 1.00 0.00 C ATOM 1218 CD LYS A 85 11.988 1.683 0.900 1.00 0.00 C ATOM 1219 CE LYS A 85 11.956 0.337 0.191 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.162 0.127 -0.656 1.00 0.00 N ATOM 0 H LYS A 85 10.024 2.983 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 85 8.547 3.425 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.343 3.163 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.135 4.388 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.399 2.848 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.869 1.686 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.774 2.303 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.238 1.536 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.888 -0.461 0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.062 0.274 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.102 -0.801 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.214 0.874 -1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.014 0.161 -0.061 1.00 0.00 H new ATOM 1234 N ALA A 86 8.370 5.889 0.022 1.00 0.00 N ATOM 1235 CA ALA A 86 8.124 7.325 0.069 1.00 0.00 C ATOM 1236 C ALA A 86 9.045 8.006 1.076 1.00 0.00 C ATOM 1237 O ALA A 86 8.658 8.974 1.729 1.00 0.00 O ATOM 1238 CB ALA A 86 6.668 7.598 0.415 1.00 0.00 C ATOM 0 H ALA A 86 7.907 5.357 0.759 1.00 0.00 H new ATOM 0 HA ALA A 86 8.337 7.739 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.497 8.674 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.024 7.151 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.438 7.165 1.389 1.00 0.00 H new