USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 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 37 GLN : amide:sc= -0.529 K(o=-0.53,f=-3.3!) USER MOD Single : A 39 GLN : amide:sc= -0.623 K(o=-0.62,f=-4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -4:sc= 0.00539 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.805 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 102:sc= -0.764! USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.378 K(o=-0.38,f=-2.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= -0.101 (180deg=-0.521) USER MOD Single : A 102 MET CE :methyl -109:sc= -1.74 (180deg=-5.22!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 31 -6.971 14.231 6.511 1.00 0.00 N ATOM 30 CA ASP A 31 -7.130 13.307 7.669 1.00 0.00 C ATOM 31 C ASP A 31 -6.905 11.866 7.208 1.00 0.00 C ATOM 32 O ASP A 31 -7.831 11.088 7.094 1.00 0.00 O ATOM 33 CB ASP A 31 -8.544 13.445 8.239 1.00 0.00 C ATOM 34 CG ASP A 31 -8.465 13.699 9.745 1.00 0.00 C ATOM 35 OD1 ASP A 31 -7.501 14.314 10.173 1.00 0.00 O ATOM 36 OD2 ASP A 31 -9.369 13.276 10.446 1.00 0.00 O ATOM 0 HA ASP A 31 -6.400 13.559 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.067 14.266 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.117 12.539 8.042 1.00 0.00 H new ATOM 41 N GLY A 32 -5.680 11.503 6.942 1.00 0.00 N ATOM 42 CA GLY A 32 -5.397 10.112 6.489 1.00 0.00 C ATOM 43 C GLY A 32 -4.207 10.117 5.527 1.00 0.00 C ATOM 44 O GLY A 32 -4.192 10.836 4.548 1.00 0.00 O ATOM 0 H GLY A 32 -4.863 12.109 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.181 9.476 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.274 9.694 5.996 1.00 0.00 H new ATOM 48 N VAL A 33 -3.210 9.321 5.799 1.00 0.00 N ATOM 49 CA VAL A 33 -2.022 9.281 4.900 1.00 0.00 C ATOM 50 C VAL A 33 -1.644 7.825 4.621 1.00 0.00 C ATOM 51 O VAL A 33 -1.362 7.062 5.524 1.00 0.00 O ATOM 52 CB VAL A 33 -0.847 9.992 5.575 1.00 0.00 C ATOM 53 CG1 VAL A 33 -1.258 11.417 5.948 1.00 0.00 C ATOM 54 CG2 VAL A 33 -0.450 9.229 6.841 1.00 0.00 C ATOM 0 H VAL A 33 -3.166 8.697 6.604 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.259 9.782 3.962 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.001 10.026 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.421 11.923 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.542 11.961 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.104 11.384 6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.387 9.734 7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.297 9.196 7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.157 8.213 6.577 1.00 0.00 H new ATOM 64 N VAL A 34 -1.637 7.432 3.376 1.00 0.00 N ATOM 65 CA VAL A 34 -1.278 6.025 3.041 1.00 0.00 C ATOM 66 C VAL A 34 0.201 5.953 2.658 1.00 0.00 C ATOM 67 O VAL A 34 0.703 6.777 1.920 1.00 0.00 O ATOM 68 CB VAL A 34 -2.133 5.548 1.865 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.669 4.157 1.429 1.00 0.00 C ATOM 70 CG2 VAL A 34 -3.600 5.483 2.296 1.00 0.00 C ATOM 0 H VAL A 34 -1.864 8.024 2.577 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.460 5.387 3.906 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.028 6.244 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.278 3.816 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.624 4.201 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.775 3.461 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.210 5.143 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.704 4.786 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.932 6.473 2.609 1.00 0.00 H new ATOM 80 N ARG A 35 0.905 4.973 3.155 1.00 0.00 N ATOM 81 CA ARG A 35 2.351 4.848 2.820 1.00 0.00 C ATOM 82 C ARG A 35 2.648 3.419 2.363 1.00 0.00 C ATOM 83 O ARG A 35 2.374 2.464 3.063 1.00 0.00 O ATOM 84 CB ARG A 35 3.192 5.174 4.056 1.00 0.00 C ATOM 85 CG ARG A 35 2.734 4.305 5.229 1.00 0.00 C ATOM 86 CD ARG A 35 3.612 4.588 6.449 1.00 0.00 C ATOM 87 NE ARG A 35 4.292 3.332 6.874 1.00 0.00 N ATOM 88 CZ ARG A 35 5.307 3.385 7.692 1.00 0.00 C ATOM 89 NH1 ARG A 35 6.463 3.817 7.271 1.00 0.00 N ATOM 90 NH2 ARG A 35 5.165 3.004 8.933 1.00 0.00 N ATOM 0 H ARG A 35 0.541 4.253 3.779 1.00 0.00 H new ATOM 0 HA ARG A 35 2.599 5.544 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.247 4.996 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.091 6.229 4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.690 4.513 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.796 3.251 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.352 5.351 6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.004 4.979 7.265 1.00 0.00 H new ATOM 0 HE ARG A 35 3.964 2.431 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.574 4.114 6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.256 3.858 7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.261 2.665 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.958 3.045 9.573 1.00 0.00 H new ATOM 104 N ILE A 36 3.207 3.263 1.194 1.00 0.00 N ATOM 105 CA ILE A 36 3.520 1.894 0.695 1.00 0.00 C ATOM 106 C ILE A 36 5.037 1.690 0.684 1.00 0.00 C ATOM 107 O ILE A 36 5.773 2.468 0.112 1.00 0.00 O ATOM 108 CB ILE A 36 2.974 1.733 -0.725 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.495 2.125 -0.749 1.00 0.00 C ATOM 110 CG2 ILE A 36 3.121 0.275 -1.166 1.00 0.00 C ATOM 111 CD1 ILE A 36 1.354 3.554 -1.275 1.00 0.00 C ATOM 0 H ILE A 36 3.460 4.024 0.563 1.00 0.00 H new ATOM 0 HA ILE A 36 3.058 1.154 1.349 1.00 0.00 H new ATOM 0 HB ILE A 36 3.533 2.377 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.936 1.436 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.072 2.052 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.732 0.160 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.174 -0.006 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.562 -0.369 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.300 3.833 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.900 4.237 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.761 3.612 -2.284 1.00 0.00 H new ATOM 123 N GLN A 37 5.509 0.650 1.314 1.00 0.00 N ATOM 124 CA GLN A 37 6.977 0.398 1.340 1.00 0.00 C ATOM 125 C GLN A 37 7.270 -0.978 0.737 1.00 0.00 C ATOM 126 O GLN A 37 6.402 -1.823 0.644 1.00 0.00 O ATOM 127 CB GLN A 37 7.476 0.436 2.786 1.00 0.00 C ATOM 128 CG GLN A 37 8.939 0.884 2.811 1.00 0.00 C ATOM 129 CD GLN A 37 9.798 -0.212 3.443 1.00 0.00 C ATOM 130 OE1 GLN A 37 9.357 -1.333 3.597 1.00 0.00 O ATOM 131 NE2 GLN A 37 11.016 0.066 3.819 1.00 0.00 N ATOM 0 H GLN A 37 4.942 -0.036 1.812 1.00 0.00 H new ATOM 0 HA GLN A 37 7.487 1.166 0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.865 1.121 3.375 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.379 -0.550 3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.284 1.092 1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.037 1.810 3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.387 1.007 3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.597 -0.658 4.242 1.00 0.00 H new ATOM 140 N ARG A 38 8.487 -1.208 0.325 1.00 0.00 N ATOM 141 CA ARG A 38 8.834 -2.529 -0.272 1.00 0.00 C ATOM 142 C ARG A 38 10.119 -3.055 0.370 1.00 0.00 C ATOM 143 O ARG A 38 11.204 -2.593 0.079 1.00 0.00 O ATOM 144 CB ARG A 38 9.045 -2.368 -1.779 1.00 0.00 C ATOM 145 CG ARG A 38 9.876 -1.112 -2.047 1.00 0.00 C ATOM 146 CD ARG A 38 10.421 -1.155 -3.476 1.00 0.00 C ATOM 147 NE ARG A 38 11.590 -0.238 -3.589 1.00 0.00 N ATOM 148 CZ ARG A 38 12.150 -0.035 -4.751 1.00 0.00 C ATOM 149 NH1 ARG A 38 11.940 -0.870 -5.731 1.00 0.00 N ATOM 150 NH2 ARG A 38 12.919 1.004 -4.931 1.00 0.00 N ATOM 0 H ARG A 38 9.255 -0.539 0.376 1.00 0.00 H new ATOM 0 HA ARG A 38 8.023 -3.234 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.552 -3.245 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.083 -2.295 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.264 -0.221 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.699 -1.049 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.717 -2.172 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.644 -0.860 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 38 11.953 0.231 -2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.338 -1.681 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.377 -0.711 -6.639 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.082 1.657 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.357 1.163 -5.838 1.00 0.00 H new ATOM 164 N GLN A 39 10.006 -4.019 1.243 1.00 0.00 N ATOM 165 CA GLN A 39 11.221 -4.573 1.903 1.00 0.00 C ATOM 166 C GLN A 39 11.792 -5.708 1.051 1.00 0.00 C ATOM 167 O GLN A 39 11.568 -6.872 1.319 1.00 0.00 O ATOM 168 CB GLN A 39 10.850 -5.112 3.286 1.00 0.00 C ATOM 169 CG GLN A 39 11.974 -4.799 4.275 1.00 0.00 C ATOM 170 CD GLN A 39 12.572 -6.106 4.799 1.00 0.00 C ATOM 171 OE1 GLN A 39 12.131 -7.178 4.435 1.00 0.00 O ATOM 172 NE2 GLN A 39 13.566 -6.062 5.644 1.00 0.00 N ATOM 0 H GLN A 39 9.125 -4.446 1.527 1.00 0.00 H new ATOM 0 HA GLN A 39 11.968 -3.786 2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.917 -4.662 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.685 -6.188 3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.746 -4.203 3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.589 -4.205 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.936 -5.162 5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.973 -6.928 5.999 1.00 0.00 H new ATOM 181 N THR A 40 12.530 -5.379 0.025 1.00 0.00 N ATOM 182 CA THR A 40 13.114 -6.440 -0.842 1.00 0.00 C ATOM 183 C THR A 40 14.333 -7.052 -0.148 1.00 0.00 C ATOM 184 O THR A 40 14.623 -6.755 0.994 1.00 0.00 O ATOM 185 CB THR A 40 13.543 -5.828 -2.178 1.00 0.00 C ATOM 186 OG1 THR A 40 14.423 -4.739 -1.937 1.00 0.00 O ATOM 187 CG2 THR A 40 12.309 -5.332 -2.934 1.00 0.00 C ATOM 0 H THR A 40 12.753 -4.422 -0.249 1.00 0.00 H new ATOM 0 HA THR A 40 12.369 -7.215 -1.019 1.00 0.00 H new ATOM 0 HB THR A 40 14.053 -6.582 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 40 14.700 -4.347 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.616 -4.896 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.635 -6.168 -3.118 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.796 -4.577 -2.338 1.00 0.00 H new ATOM 266 N LYS A 46 12.909 -11.731 -4.550 1.00 0.00 N ATOM 267 CA LYS A 46 11.735 -11.845 -3.639 1.00 0.00 C ATOM 268 C LYS A 46 11.439 -10.481 -3.011 1.00 0.00 C ATOM 269 O LYS A 46 12.189 -9.987 -2.194 1.00 0.00 O ATOM 270 CB LYS A 46 12.046 -12.858 -2.535 1.00 0.00 C ATOM 271 CG LYS A 46 10.913 -12.860 -1.507 1.00 0.00 C ATOM 272 CD LYS A 46 11.250 -13.837 -0.380 1.00 0.00 C ATOM 273 CE LYS A 46 10.027 -14.025 0.519 1.00 0.00 C ATOM 274 NZ LYS A 46 10.287 -15.126 1.488 1.00 0.00 N ATOM 0 HA LYS A 46 10.866 -12.178 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.164 -13.853 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.989 -12.606 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.772 -11.857 -1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.976 -13.147 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.559 -14.796 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.089 -13.459 0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.809 -13.100 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.150 -14.258 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.455 -15.254 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.474 -16.008 0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.113 -14.886 2.073 1.00 0.00 H new ATOM 288 N GLY A 47 10.348 -9.870 -3.386 1.00 0.00 N ATOM 289 CA GLY A 47 10.003 -8.539 -2.810 1.00 0.00 C ATOM 290 C GLY A 47 8.667 -8.635 -2.072 1.00 0.00 C ATOM 291 O GLY A 47 7.806 -9.416 -2.425 1.00 0.00 O ATOM 0 H GLY A 47 9.681 -10.235 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.786 -8.213 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.941 -7.793 -3.602 1.00 0.00 H new ATOM 295 N VAL A 48 8.486 -7.845 -1.048 1.00 0.00 N ATOM 296 CA VAL A 48 7.204 -7.893 -0.290 1.00 0.00 C ATOM 297 C VAL A 48 6.606 -6.487 -0.209 1.00 0.00 C ATOM 298 O VAL A 48 7.299 -5.499 -0.349 1.00 0.00 O ATOM 299 CB VAL A 48 7.467 -8.417 1.123 1.00 0.00 C ATOM 300 CG1 VAL A 48 7.922 -9.875 1.052 1.00 0.00 C ATOM 301 CG2 VAL A 48 8.561 -7.574 1.783 1.00 0.00 C ATOM 0 H VAL A 48 9.169 -7.170 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 48 6.505 -8.556 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 48 6.551 -8.351 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.109 -10.247 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.144 -10.476 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.838 -9.942 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.749 -7.946 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.476 -7.640 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.238 -6.534 1.835 1.00 0.00 H new ATOM 311 N CYS A 49 5.324 -6.389 0.015 1.00 0.00 N ATOM 312 CA CYS A 49 4.684 -5.047 0.103 1.00 0.00 C ATOM 313 C CYS A 49 3.846 -4.964 1.381 1.00 0.00 C ATOM 314 O CYS A 49 2.973 -5.775 1.615 1.00 0.00 O ATOM 315 CB CYS A 49 3.780 -4.833 -1.113 1.00 0.00 C ATOM 316 SG CYS A 49 4.073 -3.184 -1.799 1.00 0.00 S ATOM 0 H CYS A 49 4.693 -7.180 0.141 1.00 0.00 H new ATOM 0 HA CYS A 49 5.455 -4.277 0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.981 -5.594 -1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.734 -4.938 -0.825 1.00 0.00 H new ATOM 0 HG CYS A 49 4.918 -2.545 -1.046 1.00 0.00 H new ATOM 322 N LEU A 50 4.105 -3.991 2.210 1.00 0.00 N ATOM 323 CA LEU A 50 3.321 -3.858 3.471 1.00 0.00 C ATOM 324 C LEU A 50 2.518 -2.556 3.435 1.00 0.00 C ATOM 325 O LEU A 50 3.063 -1.485 3.254 1.00 0.00 O ATOM 326 CB LEU A 50 4.275 -3.836 4.667 1.00 0.00 C ATOM 327 CG LEU A 50 5.108 -5.118 4.681 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.596 -4.760 4.666 1.00 0.00 C ATOM 329 CD2 LEU A 50 4.790 -5.918 5.946 1.00 0.00 C ATOM 0 H LEU A 50 4.825 -3.282 2.069 1.00 0.00 H new ATOM 0 HA LEU A 50 2.640 -4.704 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.929 -2.966 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.710 -3.747 5.595 1.00 0.00 H new ATOM 0 HG LEU A 50 4.869 -5.716 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.190 -5.674 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.824 -4.189 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.835 -4.162 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.383 -6.832 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.029 -5.319 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.730 -6.173 5.958 1.00 0.00 H new ATOM 341 N ILE A 51 1.227 -2.638 3.604 1.00 0.00 N ATOM 342 CA ILE A 51 0.393 -1.403 3.578 1.00 0.00 C ATOM 343 C ILE A 51 -0.076 -1.071 4.995 1.00 0.00 C ATOM 344 O ILE A 51 -0.766 -1.845 5.629 1.00 0.00 O ATOM 345 CB ILE A 51 -0.824 -1.628 2.679 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.399 -2.408 1.433 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.404 -0.276 2.259 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.462 -1.514 0.540 1.00 0.00 C ATOM 0 H ILE A 51 0.714 -3.506 3.759 1.00 0.00 H new ATOM 0 HA ILE A 51 0.985 -0.575 3.189 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.579 -2.195 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.160 -3.298 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.279 -2.747 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.271 -0.435 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.705 0.282 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.649 0.290 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.765 -2.070 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.112 -0.637 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.348 -1.197 1.089 1.00 0.00 H new ATOM 360 N THR A 52 0.292 0.075 5.497 1.00 0.00 N ATOM 361 CA THR A 52 -0.133 0.459 6.872 1.00 0.00 C ATOM 362 C THR A 52 -0.045 1.978 7.026 1.00 0.00 C ATOM 363 O THR A 52 0.660 2.646 6.295 1.00 0.00 O ATOM 364 CB THR A 52 0.783 -0.214 7.897 1.00 0.00 C ATOM 365 OG1 THR A 52 1.171 -1.493 7.415 1.00 0.00 O ATOM 366 CG2 THR A 52 0.039 -0.370 9.224 1.00 0.00 C ATOM 0 H THR A 52 0.869 0.763 5.014 1.00 0.00 H new ATOM 0 HA THR A 52 -1.161 0.136 7.039 1.00 0.00 H new ATOM 0 HB THR A 52 1.670 0.400 8.051 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.759 -1.925 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.692 -0.849 9.953 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.257 0.612 9.593 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.849 -0.984 9.073 1.00 0.00 H new ATOM 374 N GLY A 53 -0.755 2.531 7.971 1.00 0.00 N ATOM 375 CA GLY A 53 -0.711 4.007 8.169 1.00 0.00 C ATOM 376 C GLY A 53 -2.041 4.621 7.727 1.00 0.00 C ATOM 377 O GLY A 53 -2.418 5.689 8.165 1.00 0.00 O ATOM 0 H GLY A 53 -1.363 2.025 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.522 4.239 9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.109 4.437 7.594 1.00 0.00 H new ATOM 381 N VAL A 54 -2.754 3.953 6.862 1.00 0.00 N ATOM 382 CA VAL A 54 -4.060 4.498 6.394 1.00 0.00 C ATOM 383 C VAL A 54 -4.894 4.928 7.602 1.00 0.00 C ATOM 384 O VAL A 54 -5.595 4.135 8.199 1.00 0.00 O ATOM 385 CB VAL A 54 -4.812 3.419 5.612 1.00 0.00 C ATOM 386 CG1 VAL A 54 -6.050 4.032 4.957 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.896 2.843 4.530 1.00 0.00 C ATOM 0 H VAL A 54 -2.489 3.054 6.459 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.885 5.359 5.748 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.117 2.624 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.585 3.263 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.703 4.443 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.746 4.827 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.431 2.074 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.591 3.639 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.013 2.405 4.996 1.00 0.00 H new ATOM 397 N ASP A 55 -4.823 6.179 7.969 1.00 0.00 N ATOM 398 CA ASP A 55 -5.611 6.657 9.140 1.00 0.00 C ATOM 399 C ASP A 55 -7.062 6.899 8.716 1.00 0.00 C ATOM 400 O ASP A 55 -7.442 7.999 8.368 1.00 0.00 O ATOM 401 CB ASP A 55 -5.008 7.963 9.661 1.00 0.00 C ATOM 402 CG ASP A 55 -5.416 8.167 11.122 1.00 0.00 C ATOM 403 OD1 ASP A 55 -5.438 7.189 11.852 1.00 0.00 O ATOM 404 OD2 ASP A 55 -5.698 9.296 11.486 1.00 0.00 O ATOM 0 H ASP A 55 -4.254 6.890 7.509 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.584 5.904 9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.922 7.933 9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.352 8.802 9.056 1.00 0.00 H new ATOM 409 N LEU A 56 -7.874 5.878 8.743 1.00 0.00 N ATOM 410 CA LEU A 56 -9.300 6.049 8.343 1.00 0.00 C ATOM 411 C LEU A 56 -10.177 5.118 9.182 1.00 0.00 C ATOM 412 O LEU A 56 -9.690 4.232 9.856 1.00 0.00 O ATOM 413 CB LEU A 56 -9.460 5.702 6.862 1.00 0.00 C ATOM 414 CG LEU A 56 -8.918 6.848 6.007 1.00 0.00 C ATOM 415 CD1 LEU A 56 -8.668 6.349 4.583 1.00 0.00 C ATOM 416 CD2 LEU A 56 -9.941 7.986 5.975 1.00 0.00 C ATOM 0 H LEU A 56 -7.612 4.933 9.025 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.603 7.083 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.925 4.780 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.511 5.527 6.630 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.983 7.210 6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.282 7.166 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.941 5.537 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.603 5.988 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.556 8.804 5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.876 7.623 5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.121 8.342 6.989 1.00 0.00 H new ATOM 428 N ASP A 57 -11.467 5.309 9.146 1.00 0.00 N ATOM 429 CA ASP A 57 -12.370 4.431 9.941 1.00 0.00 C ATOM 430 C ASP A 57 -11.950 2.972 9.758 1.00 0.00 C ATOM 431 O ASP A 57 -11.422 2.592 8.732 1.00 0.00 O ATOM 432 CB ASP A 57 -13.812 4.613 9.463 1.00 0.00 C ATOM 433 CG ASP A 57 -14.668 5.146 10.613 1.00 0.00 C ATOM 434 OD1 ASP A 57 -14.098 5.669 11.557 1.00 0.00 O ATOM 435 OD2 ASP A 57 -15.879 5.023 10.531 1.00 0.00 O ATOM 0 H ASP A 57 -11.934 6.034 8.601 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.303 4.699 10.995 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.843 5.305 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.211 3.663 9.109 1.00 0.00 H new ATOM 440 N ASP A 58 -12.178 2.150 10.745 1.00 0.00 N ATOM 441 CA ASP A 58 -11.788 0.717 10.628 1.00 0.00 C ATOM 442 C ASP A 58 -12.526 0.077 9.449 1.00 0.00 C ATOM 443 O ASP A 58 -11.923 -0.517 8.577 1.00 0.00 O ATOM 444 CB ASP A 58 -12.159 -0.018 11.918 1.00 0.00 C ATOM 445 CG ASP A 58 -11.094 -1.070 12.231 1.00 0.00 C ATOM 446 OD1 ASP A 58 -10.036 -1.012 11.626 1.00 0.00 O ATOM 447 OD2 ASP A 58 -11.354 -1.918 13.069 1.00 0.00 O ATOM 0 H ASP A 58 -12.618 2.409 11.628 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.713 0.648 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.239 0.690 12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.134 -0.493 11.811 1.00 0.00 H new ATOM 452 N ALA A 59 -13.825 0.191 9.417 1.00 0.00 N ATOM 453 CA ALA A 59 -14.600 -0.414 8.297 1.00 0.00 C ATOM 454 C ALA A 59 -14.082 0.123 6.961 1.00 0.00 C ATOM 455 O ALA A 59 -13.987 -0.597 5.987 1.00 0.00 O ATOM 456 CB ALA A 59 -16.080 -0.056 8.451 1.00 0.00 C ATOM 0 H ALA A 59 -14.384 0.677 10.118 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.481 -1.497 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.648 -0.498 7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.451 -0.442 9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.196 1.028 8.430 1.00 0.00 H new ATOM 462 N GLU A 60 -13.750 1.384 6.904 1.00 0.00 N ATOM 463 CA GLU A 60 -13.243 1.965 5.628 1.00 0.00 C ATOM 464 C GLU A 60 -11.938 1.272 5.229 1.00 0.00 C ATOM 465 O GLU A 60 -11.698 1.002 4.069 1.00 0.00 O ATOM 466 CB GLU A 60 -12.989 3.462 5.815 1.00 0.00 C ATOM 467 CG GLU A 60 -13.547 4.229 4.614 1.00 0.00 C ATOM 468 CD GLU A 60 -12.585 5.357 4.238 1.00 0.00 C ATOM 469 OE1 GLU A 60 -11.435 5.061 3.959 1.00 0.00 O ATOM 470 OE2 GLU A 60 -13.015 6.499 4.235 1.00 0.00 O ATOM 0 H GLU A 60 -13.808 2.037 7.685 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.985 1.816 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.462 3.810 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.920 3.650 5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.681 3.554 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.528 4.638 4.854 1.00 0.00 H new ATOM 477 N LEU A 61 -11.092 0.984 6.179 1.00 0.00 N ATOM 478 CA LEU A 61 -9.803 0.311 5.851 1.00 0.00 C ATOM 479 C LEU A 61 -10.083 -1.027 5.162 1.00 0.00 C ATOM 480 O LEU A 61 -9.441 -1.385 4.194 1.00 0.00 O ATOM 481 CB LEU A 61 -9.015 0.065 7.140 1.00 0.00 C ATOM 482 CG LEU A 61 -7.809 1.003 7.190 1.00 0.00 C ATOM 483 CD1 LEU A 61 -7.513 1.377 8.644 1.00 0.00 C ATOM 484 CD2 LEU A 61 -6.591 0.299 6.588 1.00 0.00 C ATOM 0 H LEU A 61 -11.237 1.185 7.168 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.222 0.947 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.655 0.232 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.684 -0.973 7.183 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.027 1.906 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.653 2.046 8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.380 1.878 9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.295 0.474 9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.730 0.967 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.373 -0.604 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.800 0.031 5.552 1.00 0.00 H new ATOM 496 N THR A 62 -11.035 -1.769 5.656 1.00 0.00 N ATOM 497 CA THR A 62 -11.356 -3.086 5.035 1.00 0.00 C ATOM 498 C THR A 62 -11.806 -2.876 3.587 1.00 0.00 C ATOM 499 O THR A 62 -11.559 -3.696 2.726 1.00 0.00 O ATOM 500 CB THR A 62 -12.479 -3.760 5.825 1.00 0.00 C ATOM 501 OG1 THR A 62 -12.391 -3.377 7.190 1.00 0.00 O ATOM 502 CG2 THR A 62 -12.346 -5.280 5.710 1.00 0.00 C ATOM 0 H THR A 62 -11.606 -1.520 6.464 1.00 0.00 H new ATOM 0 HA THR A 62 -10.469 -3.719 5.049 1.00 0.00 H new ATOM 0 HB THR A 62 -13.443 -3.451 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.111 -3.807 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.147 -5.759 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.414 -5.573 4.662 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.382 -5.592 6.112 1.00 0.00 H new ATOM 510 N LYS A 63 -12.468 -1.786 3.313 1.00 0.00 N ATOM 511 CA LYS A 63 -12.936 -1.528 1.921 1.00 0.00 C ATOM 512 C LYS A 63 -11.738 -1.189 1.031 1.00 0.00 C ATOM 513 O LYS A 63 -11.699 -1.536 -0.133 1.00 0.00 O ATOM 514 CB LYS A 63 -13.919 -0.355 1.924 1.00 0.00 C ATOM 515 CG LYS A 63 -15.138 -0.713 2.778 1.00 0.00 C ATOM 516 CD LYS A 63 -16.085 0.487 2.849 1.00 0.00 C ATOM 517 CE LYS A 63 -17.287 0.139 3.728 1.00 0.00 C ATOM 518 NZ LYS A 63 -18.181 1.325 3.843 1.00 0.00 N ATOM 0 H LYS A 63 -12.705 -1.063 3.992 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.432 -2.418 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.435 0.538 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.230 -0.125 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.655 -1.572 2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.821 -0.999 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.562 1.352 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.420 0.759 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.833 -0.701 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.950 -0.172 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.998 1.087 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.657 2.115 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.513 1.602 2.897 1.00 0.00 H new ATOM 532 N LEU A 64 -10.759 -0.513 1.568 1.00 0.00 N ATOM 533 CA LEU A 64 -9.565 -0.152 0.752 1.00 0.00 C ATOM 534 C LEU A 64 -8.807 -1.424 0.361 1.00 0.00 C ATOM 535 O LEU A 64 -8.633 -1.722 -0.805 1.00 0.00 O ATOM 536 CB LEU A 64 -8.646 0.757 1.572 1.00 0.00 C ATOM 537 CG LEU A 64 -8.357 2.037 0.786 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.546 1.698 -0.466 1.00 0.00 C ATOM 539 CD2 LEU A 64 -9.678 2.692 0.375 1.00 0.00 C ATOM 0 H LEU A 64 -10.734 -0.195 2.537 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.886 0.370 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.115 1.001 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.714 0.239 1.799 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.788 2.725 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.341 2.611 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.605 1.232 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.114 1.009 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.473 3.604 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.247 2.003 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.256 2.936 1.266 1.00 0.00 H new ATOM 551 N ALA A 65 -8.354 -2.175 1.327 1.00 0.00 N ATOM 552 CA ALA A 65 -7.606 -3.425 1.013 1.00 0.00 C ATOM 553 C ALA A 65 -8.472 -4.337 0.140 1.00 0.00 C ATOM 554 O ALA A 65 -7.977 -5.046 -0.714 1.00 0.00 O ATOM 555 CB ALA A 65 -7.258 -4.151 2.314 1.00 0.00 C ATOM 0 H ALA A 65 -8.470 -1.977 2.321 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.690 -3.173 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.711 -5.066 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.640 -3.505 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.175 -4.401 2.848 1.00 0.00 H new ATOM 561 N ALA A 66 -9.759 -4.327 0.349 1.00 0.00 N ATOM 562 CA ALA A 66 -10.654 -5.196 -0.466 1.00 0.00 C ATOM 563 C ALA A 66 -10.643 -4.728 -1.924 1.00 0.00 C ATOM 564 O ALA A 66 -10.750 -5.519 -2.840 1.00 0.00 O ATOM 565 CB ALA A 66 -12.079 -5.114 0.083 1.00 0.00 C ATOM 0 H ALA A 66 -10.230 -3.754 1.049 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.300 -6.226 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.735 -5.749 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.090 -5.451 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.429 -4.083 0.033 1.00 0.00 H new ATOM 571 N GLU A 67 -10.517 -3.448 -2.147 1.00 0.00 N ATOM 572 CA GLU A 67 -10.504 -2.934 -3.546 1.00 0.00 C ATOM 573 C GLU A 67 -9.205 -3.351 -4.237 1.00 0.00 C ATOM 574 O GLU A 67 -9.205 -3.787 -5.371 1.00 0.00 O ATOM 575 CB GLU A 67 -10.601 -1.408 -3.529 1.00 0.00 C ATOM 576 CG GLU A 67 -11.911 -0.972 -4.187 1.00 0.00 C ATOM 577 CD GLU A 67 -11.969 0.556 -4.244 1.00 0.00 C ATOM 578 OE1 GLU A 67 -10.988 1.181 -3.875 1.00 0.00 O ATOM 579 OE2 GLU A 67 -12.994 1.075 -4.654 1.00 0.00 O ATOM 0 H GLU A 67 -10.423 -2.737 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.353 -3.349 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.558 -1.042 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.753 -0.973 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.981 -1.387 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.760 -1.358 -3.623 1.00 0.00 H new ATOM 586 N LEU A 68 -8.095 -3.218 -3.563 1.00 0.00 N ATOM 587 CA LEU A 68 -6.795 -3.604 -4.184 1.00 0.00 C ATOM 588 C LEU A 68 -6.786 -5.109 -4.465 1.00 0.00 C ATOM 589 O LEU A 68 -6.298 -5.557 -5.483 1.00 0.00 O ATOM 590 CB LEU A 68 -5.654 -3.256 -3.226 1.00 0.00 C ATOM 591 CG LEU A 68 -5.695 -1.762 -2.903 1.00 0.00 C ATOM 592 CD1 LEU A 68 -5.072 -1.518 -1.527 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.906 -0.990 -3.963 1.00 0.00 C ATOM 0 H LEU A 68 -8.032 -2.859 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.664 -3.062 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.744 -3.839 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.696 -3.515 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.730 -1.421 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.102 -0.453 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.633 -2.068 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.037 -1.860 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.935 0.075 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.871 -1.333 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.349 -1.162 -4.944 1.00 0.00 H new ATOM 605 N LYS A 69 -7.318 -5.891 -3.567 1.00 0.00 N ATOM 606 CA LYS A 69 -7.336 -7.368 -3.777 1.00 0.00 C ATOM 607 C LYS A 69 -8.404 -7.733 -4.810 1.00 0.00 C ATOM 608 O LYS A 69 -8.574 -8.885 -5.158 1.00 0.00 O ATOM 609 CB LYS A 69 -7.662 -8.059 -2.453 1.00 0.00 C ATOM 610 CG LYS A 69 -9.071 -7.661 -2.011 1.00 0.00 C ATOM 611 CD LYS A 69 -9.474 -8.477 -0.781 1.00 0.00 C ATOM 612 CE LYS A 69 -9.560 -9.957 -1.155 1.00 0.00 C ATOM 613 NZ LYS A 69 -10.655 -10.603 -0.378 1.00 0.00 N ATOM 0 H LYS A 69 -7.742 -5.572 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.360 -7.693 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.596 -9.141 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.935 -7.774 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.103 -6.596 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.779 -7.833 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.746 -8.335 0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.435 -8.131 -0.401 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.747 -10.063 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.611 -10.451 -0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.714 -11.610 -0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.458 -10.514 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.558 -10.137 -0.598 1.00 0.00 H new ATOM 627 N LYS A 70 -9.133 -6.767 -5.298 1.00 0.00 N ATOM 628 CA LYS A 70 -10.194 -7.068 -6.300 1.00 0.00 C ATOM 629 C LYS A 70 -9.563 -7.315 -7.672 1.00 0.00 C ATOM 630 O LYS A 70 -9.864 -8.287 -8.335 1.00 0.00 O ATOM 631 CB LYS A 70 -11.162 -5.886 -6.391 1.00 0.00 C ATOM 632 CG LYS A 70 -12.590 -6.405 -6.577 1.00 0.00 C ATOM 633 CD LYS A 70 -13.411 -5.376 -7.357 1.00 0.00 C ATOM 634 CE LYS A 70 -14.628 -6.061 -7.982 1.00 0.00 C ATOM 635 NZ LYS A 70 -15.526 -5.030 -8.576 1.00 0.00 N ATOM 0 H LYS A 70 -9.040 -5.783 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.735 -7.962 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.099 -5.281 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.887 -5.241 -7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.576 -7.355 -7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.049 -6.592 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.733 -4.574 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.798 -4.920 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.308 -6.766 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.164 -6.634 -7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.354 -5.494 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.841 -4.374 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.011 -4.502 -9.309 1.00 0.00 H new ATOM 649 N LYS A 71 -8.695 -6.444 -8.109 1.00 0.00 N ATOM 650 CA LYS A 71 -8.060 -6.638 -9.446 1.00 0.00 C ATOM 651 C LYS A 71 -6.583 -6.246 -9.379 1.00 0.00 C ATOM 652 O LYS A 71 -6.151 -5.305 -10.015 1.00 0.00 O ATOM 653 CB LYS A 71 -8.768 -5.774 -10.501 1.00 0.00 C ATOM 654 CG LYS A 71 -9.675 -4.739 -9.824 1.00 0.00 C ATOM 655 CD LYS A 71 -10.194 -3.750 -10.871 1.00 0.00 C ATOM 656 CE LYS A 71 -10.277 -2.351 -10.258 1.00 0.00 C ATOM 657 NZ LYS A 71 -10.716 -1.379 -11.300 1.00 0.00 N ATOM 0 H LYS A 71 -8.398 -5.610 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.148 -7.688 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.028 -5.268 -11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.359 -6.408 -11.162 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.511 -5.238 -9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.123 -4.208 -9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.532 -3.740 -11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.177 -4.062 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.979 -2.348 -9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.306 -2.059 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.773 -0.427 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.030 -1.375 -12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.651 -1.656 -11.661 1.00 0.00 H new ATOM 671 N CYS A 72 -5.803 -6.959 -8.612 1.00 0.00 N ATOM 672 CA CYS A 72 -4.353 -6.624 -8.506 1.00 0.00 C ATOM 673 C CYS A 72 -3.504 -7.875 -8.759 1.00 0.00 C ATOM 674 O CYS A 72 -2.314 -7.788 -8.993 1.00 0.00 O ATOM 675 CB CYS A 72 -4.055 -6.087 -7.105 1.00 0.00 C ATOM 676 SG CYS A 72 -4.384 -4.308 -7.060 1.00 0.00 S ATOM 0 H CYS A 72 -6.106 -7.758 -8.055 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.108 -5.868 -9.252 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.672 -6.601 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.015 -6.282 -6.842 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.524 -4.092 -6.473 1.00 0.00 H new ATOM 682 N GLY A 73 -4.097 -9.038 -8.713 1.00 0.00 N ATOM 683 CA GLY A 73 -3.311 -10.282 -8.950 1.00 0.00 C ATOM 684 C GLY A 73 -2.891 -10.884 -7.608 1.00 0.00 C ATOM 685 O GLY A 73 -1.764 -10.728 -7.184 1.00 0.00 O ATOM 0 H GLY A 73 -5.089 -9.180 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.908 -11.000 -9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.430 -10.059 -9.552 1.00 0.00 H new ATOM 689 N CYS A 74 -3.811 -11.556 -6.951 1.00 0.00 N ATOM 690 CA CYS A 74 -3.553 -12.196 -5.616 1.00 0.00 C ATOM 691 C CYS A 74 -4.366 -11.457 -4.550 1.00 0.00 C ATOM 692 O CYS A 74 -4.092 -10.320 -4.225 1.00 0.00 O ATOM 693 CB CYS A 74 -2.068 -12.148 -5.244 1.00 0.00 C ATOM 694 SG CYS A 74 -1.782 -13.159 -3.770 1.00 0.00 S ATOM 0 H CYS A 74 -4.761 -11.691 -7.297 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.850 -13.243 -5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.463 -12.515 -6.073 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.762 -11.119 -5.057 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.521 -13.120 -3.455 1.00 0.00 H new ATOM 700 N GLY A 75 -5.369 -12.093 -4.008 1.00 0.00 N ATOM 701 CA GLY A 75 -6.203 -11.423 -2.970 1.00 0.00 C ATOM 702 C GLY A 75 -5.375 -11.190 -1.704 1.00 0.00 C ATOM 703 O GLY A 75 -5.008 -12.118 -1.011 1.00 0.00 O ATOM 0 H GLY A 75 -5.647 -13.047 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.577 -10.472 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.073 -12.038 -2.738 1.00 0.00 H new ATOM 707 N GLY A 76 -5.083 -9.955 -1.395 1.00 0.00 N ATOM 708 CA GLY A 76 -4.285 -9.660 -0.171 1.00 0.00 C ATOM 709 C GLY A 76 -5.219 -9.611 1.039 1.00 0.00 C ATOM 710 O GLY A 76 -6.372 -9.245 0.930 1.00 0.00 O ATOM 0 H GLY A 76 -5.363 -9.138 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.523 -10.426 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.764 -8.709 -0.282 1.00 0.00 H new ATOM 714 N ALA A 77 -4.733 -9.980 2.193 1.00 0.00 N ATOM 715 CA ALA A 77 -5.600 -9.959 3.405 1.00 0.00 C ATOM 716 C ALA A 77 -5.191 -8.799 4.314 1.00 0.00 C ATOM 717 O ALA A 77 -4.158 -8.186 4.131 1.00 0.00 O ATOM 718 CB ALA A 77 -5.443 -11.277 4.164 1.00 0.00 C ATOM 0 H ALA A 77 -3.775 -10.294 2.349 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.639 -9.831 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.076 -11.264 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.738 -12.105 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.402 -11.403 4.463 1.00 0.00 H new ATOM 724 N VAL A 78 -5.995 -8.499 5.297 1.00 0.00 N ATOM 725 CA VAL A 78 -5.657 -7.383 6.224 1.00 0.00 C ATOM 726 C VAL A 78 -5.213 -7.959 7.570 1.00 0.00 C ATOM 727 O VAL A 78 -5.469 -9.106 7.879 1.00 0.00 O ATOM 728 CB VAL A 78 -6.887 -6.499 6.428 1.00 0.00 C ATOM 729 CG1 VAL A 78 -6.557 -5.388 7.427 1.00 0.00 C ATOM 730 CG2 VAL A 78 -7.296 -5.877 5.090 1.00 0.00 C ATOM 0 H VAL A 78 -6.872 -8.979 5.498 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.850 -6.787 5.798 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.708 -7.103 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.434 -4.757 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.266 -5.830 8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.736 -4.784 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.173 -5.246 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.475 -5.273 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.531 -6.668 4.378 1.00 0.00 H new ATOM 740 N LYS A 79 -4.552 -7.174 8.374 1.00 0.00 N ATOM 741 CA LYS A 79 -4.097 -7.683 9.697 1.00 0.00 C ATOM 742 C LYS A 79 -4.067 -6.533 10.704 1.00 0.00 C ATOM 743 O LYS A 79 -3.035 -5.944 10.962 1.00 0.00 O ATOM 744 CB LYS A 79 -2.697 -8.284 9.559 1.00 0.00 C ATOM 745 CG LYS A 79 -2.782 -9.803 9.721 1.00 0.00 C ATOM 746 CD LYS A 79 -1.374 -10.398 9.722 1.00 0.00 C ATOM 747 CE LYS A 79 -1.295 -11.519 10.760 1.00 0.00 C ATOM 748 NZ LYS A 79 0.077 -12.101 10.761 1.00 0.00 N ATOM 0 H LYS A 79 -4.308 -6.204 8.173 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.786 -8.451 10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.275 -8.033 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.032 -7.863 10.313 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.293 -10.052 10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.369 -10.233 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.131 -10.786 8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.641 -9.624 9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.537 -11.131 11.749 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.029 -12.292 10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.130 -12.863 11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.292 -12.486 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.768 -11.361 10.998 1.00 0.00 H new ATOM 762 N ASP A 80 -5.194 -6.210 11.275 1.00 0.00 N ATOM 763 CA ASP A 80 -5.242 -5.100 12.267 1.00 0.00 C ATOM 764 C ASP A 80 -4.473 -3.892 11.728 1.00 0.00 C ATOM 765 O ASP A 80 -3.447 -3.509 12.255 1.00 0.00 O ATOM 766 CB ASP A 80 -4.615 -5.564 13.583 1.00 0.00 C ATOM 767 CG ASP A 80 -5.695 -6.185 14.471 1.00 0.00 C ATOM 768 OD1 ASP A 80 -6.285 -7.168 14.052 1.00 0.00 O ATOM 769 OD2 ASP A 80 -5.916 -5.666 15.552 1.00 0.00 O ATOM 0 H ASP A 80 -6.087 -6.669 11.096 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.280 -4.815 12.441 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.828 -6.292 13.386 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.150 -4.721 14.094 1.00 0.00 H new ATOM 774 N GLY A 81 -4.967 -3.284 10.684 1.00 0.00 N ATOM 775 CA GLY A 81 -4.273 -2.094 10.112 1.00 0.00 C ATOM 776 C GLY A 81 -3.026 -2.535 9.343 1.00 0.00 C ATOM 777 O GLY A 81 -2.224 -1.722 8.929 1.00 0.00 O ATOM 0 H GLY A 81 -5.822 -3.560 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.948 -1.554 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.994 -1.407 10.911 1.00 0.00 H new ATOM 781 N VAL A 82 -2.853 -3.813 9.145 1.00 0.00 N ATOM 782 CA VAL A 82 -1.655 -4.291 8.399 1.00 0.00 C ATOM 783 C VAL A 82 -2.098 -5.153 7.216 1.00 0.00 C ATOM 784 O VAL A 82 -2.391 -6.323 7.363 1.00 0.00 O ATOM 785 CB VAL A 82 -0.768 -5.119 9.331 1.00 0.00 C ATOM 786 CG1 VAL A 82 0.632 -5.242 8.726 1.00 0.00 C ATOM 787 CG2 VAL A 82 -0.673 -4.426 10.692 1.00 0.00 C ATOM 0 H VAL A 82 -3.487 -4.545 9.466 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.093 -3.433 8.031 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.200 -6.112 9.456 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.265 -5.832 9.389 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.567 -5.733 7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.063 -4.249 8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.041 -5.015 11.357 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.241 -3.433 10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.669 -4.335 11.124 1.00 0.00 H new ATOM 797 N ILE A 83 -2.149 -4.585 6.042 1.00 0.00 N ATOM 798 CA ILE A 83 -2.574 -5.373 4.850 1.00 0.00 C ATOM 799 C ILE A 83 -1.341 -5.953 4.156 1.00 0.00 C ATOM 800 O ILE A 83 -0.430 -5.239 3.787 1.00 0.00 O ATOM 801 CB ILE A 83 -3.329 -4.463 3.880 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.607 -3.954 4.552 1.00 0.00 C ATOM 803 CG2 ILE A 83 -3.696 -5.252 2.621 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.791 -2.468 4.242 1.00 0.00 C ATOM 0 H ILE A 83 -1.915 -3.610 5.857 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.227 -6.187 5.165 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.698 -3.617 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.468 -4.520 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.549 -4.107 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.234 -4.604 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.787 -5.618 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.328 -6.097 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.701 -2.106 4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.935 -1.909 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.868 -2.328 3.164 1.00 0.00 H new ATOM 816 N GLU A 84 -1.306 -7.245 3.976 1.00 0.00 N ATOM 817 CA GLU A 84 -0.132 -7.875 3.308 1.00 0.00 C ATOM 818 C GLU A 84 -0.390 -7.973 1.803 1.00 0.00 C ATOM 819 O GLU A 84 -1.373 -8.539 1.367 1.00 0.00 O ATOM 820 CB GLU A 84 0.086 -9.277 3.879 1.00 0.00 C ATOM 821 CG GLU A 84 -0.153 -9.259 5.390 1.00 0.00 C ATOM 822 CD GLU A 84 0.311 -10.585 5.996 1.00 0.00 C ATOM 823 OE1 GLU A 84 1.469 -10.922 5.816 1.00 0.00 O ATOM 824 OE2 GLU A 84 -0.500 -11.240 6.629 1.00 0.00 O ATOM 0 H GLU A 84 -2.040 -7.892 4.263 1.00 0.00 H new ATOM 0 HA GLU A 84 0.755 -7.267 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.592 -9.984 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.100 -9.614 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.389 -8.430 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.211 -9.102 5.600 1.00 0.00 H new ATOM 831 N ILE A 85 0.488 -7.431 1.006 1.00 0.00 N ATOM 832 CA ILE A 85 0.299 -7.496 -0.470 1.00 0.00 C ATOM 833 C ILE A 85 1.568 -8.054 -1.116 1.00 0.00 C ATOM 834 O ILE A 85 2.620 -7.449 -1.062 1.00 0.00 O ATOM 835 CB ILE A 85 0.022 -6.093 -1.013 1.00 0.00 C ATOM 836 CG1 ILE A 85 -1.316 -5.590 -0.465 1.00 0.00 C ATOM 837 CG2 ILE A 85 -0.040 -6.141 -2.541 1.00 0.00 C ATOM 838 CD1 ILE A 85 -2.423 -6.579 -0.833 1.00 0.00 C ATOM 0 H ILE A 85 1.330 -6.945 1.314 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.545 -8.145 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 85 0.820 -5.419 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.259 -5.479 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.542 -4.606 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.237 -5.142 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.911 -6.501 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.838 -6.815 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.376 -6.221 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.486 -6.668 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.198 -7.554 -0.401 1.00 0.00 H new ATOM 850 N GLN A 86 1.480 -9.206 -1.722 1.00 0.00 N ATOM 851 CA GLN A 86 2.684 -9.803 -2.365 1.00 0.00 C ATOM 852 C GLN A 86 2.820 -9.272 -3.794 1.00 0.00 C ATOM 853 O GLN A 86 2.091 -9.663 -4.684 1.00 0.00 O ATOM 854 CB GLN A 86 2.543 -11.326 -2.397 1.00 0.00 C ATOM 855 CG GLN A 86 3.705 -11.962 -1.632 1.00 0.00 C ATOM 856 CD GLN A 86 3.192 -13.154 -0.822 1.00 0.00 C ATOM 857 OE1 GLN A 86 2.027 -13.217 -0.482 1.00 0.00 O ATOM 858 NE2 GLN A 86 4.019 -14.110 -0.497 1.00 0.00 N ATOM 0 H GLN A 86 0.627 -9.759 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 86 3.571 -9.532 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 86 1.594 -11.623 -1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.535 -11.680 -3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.478 -12.288 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.163 -11.228 -0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.997 -14.057 -0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.687 -14.910 0.042 1.00 0.00 H new ATOM 867 N GLY A 87 3.749 -8.384 -4.021 1.00 0.00 N ATOM 868 CA GLY A 87 3.934 -7.829 -5.392 1.00 0.00 C ATOM 869 C GLY A 87 4.742 -6.533 -5.315 1.00 0.00 C ATOM 870 O GLY A 87 4.526 -5.705 -4.452 1.00 0.00 O ATOM 0 H GLY A 87 4.389 -8.018 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.449 -8.554 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.964 -7.638 -5.852 1.00 0.00 H new ATOM 874 N ASP A 88 5.673 -6.348 -6.211 1.00 0.00 N ATOM 875 CA ASP A 88 6.494 -5.105 -6.188 1.00 0.00 C ATOM 876 C ASP A 88 5.912 -4.092 -7.177 1.00 0.00 C ATOM 877 O ASP A 88 6.541 -3.730 -8.151 1.00 0.00 O ATOM 878 CB ASP A 88 7.934 -5.436 -6.585 1.00 0.00 C ATOM 879 CG ASP A 88 8.551 -6.367 -5.540 1.00 0.00 C ATOM 880 OD1 ASP A 88 7.809 -6.871 -4.713 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.755 -6.561 -5.585 1.00 0.00 O ATOM 0 H ASP A 88 5.900 -7.004 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 88 6.483 -4.681 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.952 -5.911 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.520 -4.520 -6.663 1.00 0.00 H new ATOM 886 N LYS A 89 4.715 -3.632 -6.934 1.00 0.00 N ATOM 887 CA LYS A 89 4.094 -2.644 -7.862 1.00 0.00 C ATOM 888 C LYS A 89 3.967 -1.292 -7.157 1.00 0.00 C ATOM 889 O LYS A 89 3.010 -0.569 -7.351 1.00 0.00 O ATOM 890 CB LYS A 89 2.706 -3.136 -8.275 1.00 0.00 C ATOM 891 CG LYS A 89 2.846 -4.231 -9.335 1.00 0.00 C ATOM 892 CD LYS A 89 1.471 -4.554 -9.922 1.00 0.00 C ATOM 893 CE LYS A 89 1.636 -5.481 -11.128 1.00 0.00 C ATOM 894 NZ LYS A 89 0.382 -5.475 -11.934 1.00 0.00 N ATOM 0 H LYS A 89 4.141 -3.897 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 89 4.719 -2.534 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.172 -3.522 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.117 -2.307 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.522 -3.903 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.283 -5.126 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.844 -5.029 -9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.967 -3.635 -10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.476 -5.153 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.861 -6.494 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.493 -6.105 -12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.410 -5.807 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.186 -4.508 -12.264 1.00 0.00 H new ATOM 908 N ARG A 90 4.924 -0.944 -6.342 1.00 0.00 N ATOM 909 CA ARG A 90 4.855 0.362 -5.628 1.00 0.00 C ATOM 910 C ARG A 90 4.417 1.455 -6.605 1.00 0.00 C ATOM 911 O ARG A 90 3.698 2.367 -6.250 1.00 0.00 O ATOM 912 CB ARG A 90 6.234 0.708 -5.061 1.00 0.00 C ATOM 913 CG ARG A 90 6.106 1.881 -4.087 1.00 0.00 C ATOM 914 CD ARG A 90 7.415 2.672 -4.065 1.00 0.00 C ATOM 915 NE ARG A 90 8.517 1.794 -3.579 1.00 0.00 N ATOM 916 CZ ARG A 90 9.750 2.221 -3.602 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.296 2.577 -4.733 1.00 0.00 N ATOM 918 NH2 ARG A 90 10.438 2.292 -2.495 1.00 0.00 N ATOM 0 H ARG A 90 5.750 -1.507 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 90 4.134 0.292 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.657 -0.158 -4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.917 0.966 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.282 2.529 -4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.874 1.514 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.645 3.043 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.316 3.542 -3.416 1.00 0.00 H new ATOM 0 HE ARG A 90 8.307 0.859 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.759 2.521 -5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.260 2.911 -4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.012 2.014 -1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.402 2.626 -2.514 1.00 0.00 H new ATOM 932 N ASP A 91 4.844 1.369 -7.836 1.00 0.00 N ATOM 933 CA ASP A 91 4.450 2.403 -8.834 1.00 0.00 C ATOM 934 C ASP A 91 2.924 2.488 -8.906 1.00 0.00 C ATOM 935 O ASP A 91 2.346 3.549 -8.787 1.00 0.00 O ATOM 936 CB ASP A 91 5.006 2.023 -10.209 1.00 0.00 C ATOM 937 CG ASP A 91 5.579 3.266 -10.890 1.00 0.00 C ATOM 938 OD1 ASP A 91 5.119 4.353 -10.580 1.00 0.00 O ATOM 939 OD2 ASP A 91 6.468 3.111 -11.712 1.00 0.00 O ATOM 0 H ASP A 91 5.448 0.628 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 91 4.853 3.370 -8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.781 1.264 -10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.218 1.589 -10.824 1.00 0.00 H new ATOM 944 N LEU A 92 2.268 1.377 -9.101 1.00 0.00 N ATOM 945 CA LEU A 92 0.780 1.394 -9.180 1.00 0.00 C ATOM 946 C LEU A 92 0.202 1.808 -7.825 1.00 0.00 C ATOM 947 O LEU A 92 -0.881 2.352 -7.742 1.00 0.00 O ATOM 948 CB LEU A 92 0.273 -0.002 -9.546 1.00 0.00 C ATOM 949 CG LEU A 92 -1.029 0.119 -10.339 1.00 0.00 C ATOM 950 CD1 LEU A 92 -0.916 -0.691 -11.632 1.00 0.00 C ATOM 951 CD2 LEU A 92 -2.188 -0.422 -9.500 1.00 0.00 C ATOM 0 H LEU A 92 2.698 0.458 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 92 0.465 2.106 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.023 -0.530 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.108 -0.589 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.211 1.166 -10.580 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.844 -0.605 -12.197 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.089 -0.308 -12.230 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.734 -1.738 -11.391 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.117 -0.336 -10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.005 -1.469 -9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.269 0.153 -8.578 1.00 0.00 H new ATOM 963 N LEU A 93 0.917 1.555 -6.763 1.00 0.00 N ATOM 964 CA LEU A 93 0.407 1.934 -5.415 1.00 0.00 C ATOM 965 C LEU A 93 0.262 3.455 -5.334 1.00 0.00 C ATOM 966 O LEU A 93 -0.737 3.969 -4.873 1.00 0.00 O ATOM 967 CB LEU A 93 1.392 1.458 -4.345 1.00 0.00 C ATOM 968 CG LEU A 93 0.911 0.127 -3.764 1.00 0.00 C ATOM 969 CD1 LEU A 93 -0.465 0.317 -3.124 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.812 -0.911 -4.884 1.00 0.00 C ATOM 0 H LEU A 93 1.831 1.103 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.564 1.467 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.386 1.340 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.474 2.204 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 93 1.618 -0.217 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.808 -0.631 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.396 1.057 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.173 0.661 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.469 -1.860 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.104 -0.566 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.792 -1.047 -5.342 1.00 0.00 H new ATOM 982 N LYS A 94 1.253 4.180 -5.778 1.00 0.00 N ATOM 983 CA LYS A 94 1.170 5.666 -5.726 1.00 0.00 C ATOM 984 C LYS A 94 -0.006 6.143 -6.581 1.00 0.00 C ATOM 985 O LYS A 94 -0.612 7.160 -6.309 1.00 0.00 O ATOM 986 CB LYS A 94 2.469 6.269 -6.264 1.00 0.00 C ATOM 987 CG LYS A 94 2.580 7.727 -5.814 1.00 0.00 C ATOM 988 CD LYS A 94 3.795 8.376 -6.480 1.00 0.00 C ATOM 989 CE LYS A 94 4.034 9.759 -5.871 1.00 0.00 C ATOM 990 NZ LYS A 94 5.087 10.470 -6.650 1.00 0.00 N ATOM 0 H LYS A 94 2.116 3.807 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 94 1.021 5.985 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.324 5.699 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.486 6.211 -7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.673 8.271 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.676 7.778 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.676 7.749 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.631 8.464 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.109 10.336 -5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.341 9.661 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.250 11.410 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.970 9.921 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.777 10.575 -7.637 1.00 0.00 H new ATOM 1004 N SER A 95 -0.334 5.415 -7.613 1.00 0.00 N ATOM 1005 CA SER A 95 -1.471 5.827 -8.484 1.00 0.00 C ATOM 1006 C SER A 95 -2.786 5.654 -7.721 1.00 0.00 C ATOM 1007 O SER A 95 -3.444 6.615 -7.374 1.00 0.00 O ATOM 1008 CB SER A 95 -1.493 4.956 -9.740 1.00 0.00 C ATOM 1009 OG SER A 95 -2.435 5.486 -10.663 1.00 0.00 O ATOM 0 H SER A 95 0.136 4.553 -7.891 1.00 0.00 H new ATOM 0 HA SER A 95 -1.350 6.872 -8.769 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.502 4.925 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.758 3.931 -9.481 1.00 0.00 H new ATOM 0 HG SER A 95 -2.450 4.931 -11.470 1.00 0.00 H new ATOM 1015 N LEU A 96 -3.174 4.437 -7.456 1.00 0.00 N ATOM 1016 CA LEU A 96 -4.446 4.205 -6.716 1.00 0.00 C ATOM 1017 C LEU A 96 -4.526 5.166 -5.528 1.00 0.00 C ATOM 1018 O LEU A 96 -5.586 5.641 -5.171 1.00 0.00 O ATOM 1019 CB LEU A 96 -4.485 2.762 -6.208 1.00 0.00 C ATOM 1020 CG LEU A 96 -3.167 2.430 -5.507 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -3.281 2.765 -4.019 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.864 0.939 -5.671 1.00 0.00 C ATOM 0 H LEU A 96 -2.665 3.593 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.291 4.378 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.319 2.631 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.649 2.077 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.362 3.016 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.341 2.528 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.497 3.827 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.086 2.179 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.925 0.702 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.669 0.353 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.782 0.699 -6.731 1.00 0.00 H new ATOM 1034 N LEU A 97 -3.412 5.457 -4.912 1.00 0.00 N ATOM 1035 CA LEU A 97 -3.426 6.388 -3.749 1.00 0.00 C ATOM 1036 C LEU A 97 -3.861 7.779 -4.214 1.00 0.00 C ATOM 1037 O LEU A 97 -4.714 8.406 -3.617 1.00 0.00 O ATOM 1038 CB LEU A 97 -2.023 6.468 -3.143 1.00 0.00 C ATOM 1039 CG LEU A 97 -2.115 6.332 -1.623 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -0.710 6.176 -1.038 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -2.772 7.585 -1.039 1.00 0.00 C ATOM 0 H LEU A 97 -2.494 5.090 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.126 6.021 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.393 5.678 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.555 7.417 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.713 5.456 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.776 6.079 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.239 5.285 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.112 7.052 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.838 7.490 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.173 8.460 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.773 7.699 -1.455 1.00 0.00 H new ATOM 1053 N GLU A 98 -3.282 8.267 -5.277 1.00 0.00 N ATOM 1054 CA GLU A 98 -3.663 9.617 -5.780 1.00 0.00 C ATOM 1055 C GLU A 98 -5.102 9.581 -6.299 1.00 0.00 C ATOM 1056 O GLU A 98 -5.688 10.601 -6.604 1.00 0.00 O ATOM 1057 CB GLU A 98 -2.721 10.023 -6.916 1.00 0.00 C ATOM 1058 CG GLU A 98 -1.782 11.128 -6.430 1.00 0.00 C ATOM 1059 CD GLU A 98 -0.837 11.530 -7.564 1.00 0.00 C ATOM 1060 OE1 GLU A 98 -1.072 11.105 -8.683 1.00 0.00 O ATOM 1061 OE2 GLU A 98 0.106 12.256 -7.294 1.00 0.00 O ATOM 0 H GLU A 98 -2.562 7.789 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.587 10.341 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.143 9.161 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.297 10.372 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.359 11.992 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.209 10.781 -5.570 1.00 0.00 H new ATOM 1068 N ALA A 99 -5.677 8.414 -6.401 1.00 0.00 N ATOM 1069 CA ALA A 99 -7.078 8.315 -6.900 1.00 0.00 C ATOM 1070 C ALA A 99 -8.035 8.877 -5.848 1.00 0.00 C ATOM 1071 O ALA A 99 -9.058 9.450 -6.168 1.00 0.00 O ATOM 1072 CB ALA A 99 -7.420 6.848 -7.170 1.00 0.00 C ATOM 0 H ALA A 99 -5.238 7.525 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.177 8.887 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.444 6.774 -7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.738 6.447 -7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.322 6.276 -6.248 1.00 0.00 H new ATOM 1078 N LYS A 100 -7.713 8.718 -4.593 1.00 0.00 N ATOM 1079 CA LYS A 100 -8.605 9.244 -3.522 1.00 0.00 C ATOM 1080 C LYS A 100 -8.282 10.717 -3.266 1.00 0.00 C ATOM 1081 O LYS A 100 -9.116 11.476 -2.815 1.00 0.00 O ATOM 1082 CB LYS A 100 -8.386 8.443 -2.237 1.00 0.00 C ATOM 1083 CG LYS A 100 -8.998 7.049 -2.393 1.00 0.00 C ATOM 1084 CD LYS A 100 -8.097 6.017 -1.712 1.00 0.00 C ATOM 1085 CE LYS A 100 -7.176 5.377 -2.752 1.00 0.00 C ATOM 1086 NZ LYS A 100 -7.978 4.505 -3.656 1.00 0.00 N ATOM 0 H LYS A 100 -6.871 8.246 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.644 9.150 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.320 8.362 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.842 8.959 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.994 7.026 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.113 6.807 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.505 6.495 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.704 5.252 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.670 6.150 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.402 4.791 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.373 3.750 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.765 4.083 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.357 5.073 -4.440 1.00 0.00 H new ATOM 1100 N GLY A 101 -7.076 11.127 -3.549 1.00 0.00 N ATOM 1101 CA GLY A 101 -6.701 12.552 -3.322 1.00 0.00 C ATOM 1102 C GLY A 101 -6.090 12.703 -1.927 1.00 0.00 C ATOM 1103 O GLY A 101 -5.974 13.794 -1.405 1.00 0.00 O ATOM 0 H GLY A 101 -6.334 10.538 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.988 12.877 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.580 13.190 -3.417 1.00 0.00 H new ATOM 1107 N MET A 102 -5.699 11.616 -1.319 1.00 0.00 N ATOM 1108 CA MET A 102 -5.097 11.699 0.041 1.00 0.00 C ATOM 1109 C MET A 102 -3.589 11.927 -0.082 1.00 0.00 C ATOM 1110 O MET A 102 -3.066 12.115 -1.163 1.00 0.00 O ATOM 1111 CB MET A 102 -5.355 10.392 0.793 1.00 0.00 C ATOM 1112 CG MET A 102 -6.773 9.901 0.494 1.00 0.00 C ATOM 1113 SD MET A 102 -7.405 8.978 1.916 1.00 0.00 S ATOM 1114 CE MET A 102 -6.931 7.328 1.344 1.00 0.00 C ATOM 0 H MET A 102 -5.771 10.675 -1.706 1.00 0.00 H new ATOM 0 HA MET A 102 -5.547 12.528 0.588 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.627 9.638 0.493 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.231 10.546 1.865 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.424 10.748 0.278 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.770 9.267 -0.393 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.824 6.769 1.064 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.274 7.418 0.479 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.409 6.802 2.143 1.00 0.00 H new ATOM 1124 N LYS A 103 -2.886 11.913 1.017 1.00 0.00 N ATOM 1125 CA LYS A 103 -1.413 12.129 0.962 1.00 0.00 C ATOM 1126 C LYS A 103 -0.704 10.780 0.831 1.00 0.00 C ATOM 1127 O LYS A 103 -1.279 9.739 1.080 1.00 0.00 O ATOM 1128 CB LYS A 103 -0.951 12.826 2.244 1.00 0.00 C ATOM 1129 CG LYS A 103 -0.646 14.295 1.945 1.00 0.00 C ATOM 1130 CD LYS A 103 -0.172 14.988 3.224 1.00 0.00 C ATOM 1131 CE LYS A 103 0.248 16.423 2.902 1.00 0.00 C ATOM 1132 NZ LYS A 103 0.228 17.239 4.149 1.00 0.00 N ATOM 0 H LYS A 103 -3.268 11.761 1.951 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.169 12.752 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.724 12.753 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -0.063 12.332 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.120 14.369 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.536 14.791 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.970 14.989 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.666 14.441 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.247 16.432 2.465 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.427 16.853 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.514 18.215 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -0.733 17.241 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.889 16.832 4.841 1.00 0.00 H new ATOM 1146 N VAL A 104 0.542 10.789 0.442 1.00 0.00 N ATOM 1147 CA VAL A 104 1.286 9.507 0.295 1.00 0.00 C ATOM 1148 C VAL A 104 2.714 9.684 0.815 1.00 0.00 C ATOM 1149 O VAL A 104 3.220 10.785 0.907 1.00 0.00 O ATOM 1150 CB VAL A 104 1.327 9.106 -1.180 1.00 0.00 C ATOM 1151 CG1 VAL A 104 1.888 7.689 -1.310 1.00 0.00 C ATOM 1152 CG2 VAL A 104 -0.090 9.146 -1.757 1.00 0.00 C ATOM 0 H VAL A 104 1.076 11.629 0.220 1.00 0.00 H new ATOM 0 HA VAL A 104 0.784 8.728 0.869 1.00 0.00 H new ATOM 0 HB VAL A 104 1.965 9.800 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.917 7.404 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.897 7.658 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.251 6.994 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.063 8.860 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.726 8.451 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.492 10.155 -1.665 1.00 0.00 H new ATOM 1162 N LYS A 105 3.369 8.608 1.156 1.00 0.00 N ATOM 1163 CA LYS A 105 4.764 8.716 1.669 1.00 0.00 C ATOM 1164 C LYS A 105 5.663 7.735 0.913 1.00 0.00 C ATOM 1165 O LYS A 105 6.245 6.839 1.491 1.00 0.00 O ATOM 1166 CB LYS A 105 4.786 8.380 3.162 1.00 0.00 C ATOM 1167 CG LYS A 105 5.894 9.181 3.849 1.00 0.00 C ATOM 1168 CD LYS A 105 5.710 9.108 5.366 1.00 0.00 C ATOM 1169 CE LYS A 105 6.781 9.959 6.052 1.00 0.00 C ATOM 1170 NZ LYS A 105 7.227 9.283 7.303 1.00 0.00 N ATOM 0 H LYS A 105 2.999 7.659 1.102 1.00 0.00 H new ATOM 0 HA LYS A 105 5.128 9.732 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.821 8.613 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 105 4.954 7.312 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.870 8.784 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.866 10.219 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.717 9.464 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.782 8.074 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.629 10.105 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.383 10.947 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.955 9.861 7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.415 9.166 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.622 8.349 7.071 1.00 0.00 H new ATOM 1184 N LEU A 106 5.781 7.898 -0.377 1.00 0.00 N ATOM 1185 CA LEU A 106 6.643 6.975 -1.168 1.00 0.00 C ATOM 1186 C LEU A 106 7.969 6.762 -0.436 1.00 0.00 C ATOM 1187 O LEU A 106 8.872 7.571 -0.519 1.00 0.00 O ATOM 1188 CB LEU A 106 6.913 7.584 -2.545 1.00 0.00 C ATOM 1189 CG LEU A 106 6.917 6.478 -3.601 1.00 0.00 C ATOM 1190 CD1 LEU A 106 5.484 5.999 -3.846 1.00 0.00 C ATOM 1191 CD2 LEU A 106 7.501 7.022 -4.907 1.00 0.00 C ATOM 0 H LEU A 106 5.318 8.630 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 106 6.136 6.017 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.150 8.325 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.872 8.103 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 106 7.524 5.644 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.488 5.211 -4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.066 5.612 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.877 6.833 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.504 6.234 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.894 7.857 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.522 7.363 -4.735 1.00 0.00 H new ATOM 1203 N ALA A 107 8.095 5.679 0.282 1.00 0.00 N ATOM 1204 CA ALA A 107 9.363 5.416 1.018 1.00 0.00 C ATOM 1205 C ALA A 107 10.480 5.113 0.018 1.00 0.00 C ATOM 1206 O ALA A 107 10.233 4.842 -1.141 1.00 0.00 O ATOM 1207 CB ALA A 107 9.173 4.217 1.949 1.00 0.00 C ATOM 0 H ALA A 107 7.374 4.965 0.390 1.00 0.00 H new ATOM 0 HA ALA A 107 9.630 6.294 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.101 4.024 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.377 4.433 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.905 3.339 1.361 1.00 0.00 H new