USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 676 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 39 LYS NZ :NH3+ -147:sc= 2.21 (180deg=-0.705) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 151:sc= 3.6 (180deg=1.25) USER MOD Set 2.1: A 10 CYS SG : rot 172:sc= -2.25! USER MOD Set 2.2: A 22 CYS SG : rot 48:sc= 0.735 USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 20 SER OG : rot -170:sc= -0.73 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 2.22 (180deg=2.22) USER MOD Single : A 31 ASN : amide:sc= -0.0346 K(o=-0.035,f=-1.7) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 42 THR OG1 : rot -119:sc= 0.0118 USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0.68 (180deg=0.576) USER MOD Single : A 50 ASN : amide:sc= -0.874 K(o=-0.87,f=-4!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.0244 (180deg=-0.201) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= -0.408 (180deg=-0.508) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.479 (180deg=0.479) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00203 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= 1.16 (180deg=-0.111) USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= 1.13 (180deg=0.799) USER MOD Single : A 79 SER OG : rot 74:sc= 1.04 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0229 F(o=-1.1,f=-0.023) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00839 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -114:sc= -0.251 (180deg=-0.944) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 3.554 10.449 -6.511 1.00 0.00 N ATOM 45 CA ILE A 4 3.699 10.368 -5.068 1.00 0.00 C ATOM 46 C ILE A 4 2.730 11.323 -4.378 1.00 0.00 C ATOM 47 O ILE A 4 3.109 12.408 -3.926 1.00 0.00 O ATOM 48 CB ILE A 4 5.148 10.670 -4.618 1.00 0.00 C ATOM 49 CG1 ILE A 4 6.144 9.810 -5.408 1.00 0.00 C ATOM 50 CG2 ILE A 4 5.308 10.427 -3.121 1.00 0.00 C ATOM 51 CD1 ILE A 4 5.929 8.320 -5.245 1.00 0.00 C ATOM 0 HA ILE A 4 3.464 9.345 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 4 5.358 11.720 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.071 10.065 -6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.156 10.058 -5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.334 10.645 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.626 11.076 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.079 9.386 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.671 7.779 -5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.032 8.050 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.929 8.057 -5.591 1.00 0.00 H new ATOM 63 N GLU A 5 1.469 10.926 -4.335 1.00 0.00 N ATOM 64 CA GLU A 5 0.447 11.708 -3.670 1.00 0.00 C ATOM 65 C GLU A 5 -0.101 10.944 -2.481 1.00 0.00 C ATOM 66 O GLU A 5 -0.440 9.761 -2.596 1.00 0.00 O ATOM 67 CB GLU A 5 -0.701 12.063 -4.621 1.00 0.00 C ATOM 68 CG GLU A 5 -0.474 13.327 -5.440 1.00 0.00 C ATOM 69 CD GLU A 5 0.595 13.173 -6.501 1.00 0.00 C ATOM 70 OE1 GLU A 5 0.293 12.599 -7.566 1.00 0.00 O ATOM 71 OE2 GLU A 5 1.728 13.646 -6.283 1.00 0.00 O ATOM 0 H GLU A 5 1.130 10.061 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 5 0.910 12.636 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.863 11.228 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.615 12.181 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.411 13.614 -5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.195 14.140 -4.770 1.00 0.00 H new ATOM 78 N VAL A 6 -0.171 11.616 -1.344 1.00 0.00 N ATOM 79 CA VAL A 6 -0.767 11.034 -0.155 1.00 0.00 C ATOM 80 C VAL A 6 -2.204 10.617 -0.440 1.00 0.00 C ATOM 81 O VAL A 6 -3.044 11.433 -0.828 1.00 0.00 O ATOM 82 CB VAL A 6 -0.716 11.998 1.050 1.00 0.00 C ATOM 83 CG1 VAL A 6 0.696 12.076 1.604 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.201 13.386 0.658 1.00 0.00 C ATOM 0 H VAL A 6 0.178 12.566 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.181 10.154 0.109 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.379 11.609 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.717 12.759 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.015 11.085 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.371 12.439 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.155 14.046 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.566 13.783 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.230 13.325 0.303 1.00 0.00 H new ATOM 94 N GLY A 7 -2.468 9.329 -0.297 1.00 0.00 N ATOM 95 CA GLY A 7 -3.780 8.804 -0.597 1.00 0.00 C ATOM 96 C GLY A 7 -3.737 7.763 -1.694 1.00 0.00 C ATOM 97 O GLY A 7 -4.686 7.000 -1.879 1.00 0.00 O ATOM 0 H GLY A 7 -1.793 8.635 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.209 8.364 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.437 9.620 -0.897 1.00 0.00 H new ATOM 101 N ARG A 8 -2.639 7.729 -2.442 1.00 0.00 N ATOM 102 CA ARG A 8 -2.476 6.727 -3.477 1.00 0.00 C ATOM 103 C ARG A 8 -1.790 5.491 -2.902 1.00 0.00 C ATOM 104 O ARG A 8 -0.586 5.489 -2.657 1.00 0.00 O ATOM 105 CB ARG A 8 -1.662 7.285 -4.653 1.00 0.00 C ATOM 106 CG ARG A 8 -1.915 6.611 -6.009 1.00 0.00 C ATOM 107 CD ARG A 8 -2.601 5.249 -5.899 1.00 0.00 C ATOM 108 NE ARG A 8 -4.043 5.379 -5.664 1.00 0.00 N ATOM 109 CZ ARG A 8 -4.826 4.420 -5.156 1.00 0.00 C ATOM 110 NH1 ARG A 8 -4.323 3.236 -4.833 1.00 0.00 N ATOM 111 NH2 ARG A 8 -6.122 4.652 -4.984 1.00 0.00 N ATOM 0 H ARG A 8 -1.858 8.379 -2.349 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.463 6.449 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.878 8.349 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.602 7.195 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.530 7.269 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.964 6.488 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.432 4.683 -6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.151 4.681 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.482 6.267 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.330 3.049 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.929 2.513 -4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.516 5.558 -5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.723 3.925 -4.597 1.00 0.00 H new ATOM 125 N ILE A 9 -2.577 4.452 -2.670 1.00 0.00 N ATOM 126 CA ILE A 9 -2.039 3.162 -2.263 1.00 0.00 C ATOM 127 C ILE A 9 -1.273 2.557 -3.437 1.00 0.00 C ATOM 128 O ILE A 9 -1.846 2.321 -4.502 1.00 0.00 O ATOM 129 CB ILE A 9 -3.153 2.174 -1.821 1.00 0.00 C ATOM 130 CG1 ILE A 9 -3.956 2.712 -0.627 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.555 0.816 -1.472 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.027 3.723 -0.992 1.00 0.00 C ATOM 0 H ILE A 9 -3.593 4.477 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.384 3.326 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.837 2.063 -2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.426 1.873 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.266 3.172 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.350 0.137 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.046 0.407 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.841 0.932 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.543 4.048 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.565 4.584 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.743 3.264 -1.674 1.00 0.00 H new ATOM 144 N CYS A 10 0.011 2.335 -3.255 1.00 0.00 N ATOM 145 CA CYS A 10 0.850 1.839 -4.331 1.00 0.00 C ATOM 146 C CYS A 10 1.121 0.351 -4.165 1.00 0.00 C ATOM 147 O CYS A 10 1.108 -0.176 -3.051 1.00 0.00 O ATOM 148 CB CYS A 10 2.158 2.628 -4.368 1.00 0.00 C ATOM 149 SG CYS A 10 2.904 2.879 -2.743 1.00 0.00 S ATOM 0 H CYS A 10 0.499 2.489 -2.373 1.00 0.00 H new ATOM 0 HA CYS A 10 0.327 1.976 -5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.869 2.105 -5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.973 3.599 -4.826 1.00 0.00 H new ATOM 0 HG CYS A 10 4.086 3.402 -2.884 1.00 0.00 H new ATOM 155 N VAL A 11 1.349 -0.326 -5.279 1.00 0.00 N ATOM 156 CA VAL A 11 1.612 -1.753 -5.259 1.00 0.00 C ATOM 157 C VAL A 11 2.941 -2.062 -5.946 1.00 0.00 C ATOM 158 O VAL A 11 3.315 -1.406 -6.924 1.00 0.00 O ATOM 159 CB VAL A 11 0.459 -2.542 -5.929 1.00 0.00 C ATOM 160 CG1 VAL A 11 0.231 -2.069 -7.356 1.00 0.00 C ATOM 161 CG2 VAL A 11 0.723 -4.043 -5.895 1.00 0.00 C ATOM 0 H VAL A 11 1.357 0.092 -6.209 1.00 0.00 H new ATOM 0 HA VAL A 11 1.676 -2.069 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.448 -2.348 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.583 -2.639 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.027 -1.010 -7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.140 -2.218 -7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.104 -4.569 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.648 -4.262 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.813 -4.373 -4.860 1.00 0.00 H new ATOM 171 N LYS A 12 3.657 -3.040 -5.414 1.00 0.00 N ATOM 172 CA LYS A 12 4.934 -3.450 -5.978 1.00 0.00 C ATOM 173 C LYS A 12 4.715 -4.431 -7.125 1.00 0.00 C ATOM 174 O LYS A 12 4.808 -5.644 -6.945 1.00 0.00 O ATOM 175 CB LYS A 12 5.824 -4.061 -4.891 1.00 0.00 C ATOM 176 CG LYS A 12 6.314 -3.037 -3.877 1.00 0.00 C ATOM 177 CD LYS A 12 7.166 -3.667 -2.784 1.00 0.00 C ATOM 178 CE LYS A 12 6.367 -4.658 -1.958 1.00 0.00 C ATOM 179 NZ LYS A 12 7.155 -5.219 -0.826 1.00 0.00 N ATOM 0 H LYS A 12 3.374 -3.567 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 12 5.442 -2.572 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.269 -4.842 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.684 -4.540 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.894 -2.270 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.457 -2.539 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.021 -4.172 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.562 -2.886 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.476 -4.167 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.028 -5.471 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.566 -5.890 -0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.993 -5.712 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.457 -4.448 -0.197 1.00 0.00 H new ATOM 193 N VAL A 13 4.408 -3.882 -8.296 1.00 0.00 N ATOM 194 CA VAL A 13 4.018 -4.678 -9.460 1.00 0.00 C ATOM 195 C VAL A 13 5.143 -5.584 -9.952 1.00 0.00 C ATOM 196 O VAL A 13 4.897 -6.716 -10.359 1.00 0.00 O ATOM 197 CB VAL A 13 3.542 -3.781 -10.627 1.00 0.00 C ATOM 198 CG1 VAL A 13 2.292 -3.019 -10.230 1.00 0.00 C ATOM 199 CG2 VAL A 13 4.633 -2.813 -11.059 1.00 0.00 C ATOM 0 H VAL A 13 4.422 -2.877 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 13 3.192 -5.307 -9.126 1.00 0.00 H new ATOM 0 HB VAL A 13 3.310 -4.427 -11.474 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.969 -2.392 -11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.500 -3.725 -9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.508 -2.392 -9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.268 -2.197 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.906 -2.174 -10.219 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.508 -3.374 -11.387 1.00 0.00 H new ATOM 287 N GLY A 19 2.897 -9.428 -4.739 1.00 0.00 N ATOM 288 CA GLY A 19 1.936 -9.786 -3.720 1.00 0.00 C ATOM 289 C GLY A 19 2.016 -8.918 -2.480 1.00 0.00 C ATOM 290 O GLY A 19 2.021 -9.430 -1.364 1.00 0.00 O ATOM 0 HA2 GLY A 19 0.932 -9.716 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.091 -10.827 -3.436 1.00 0.00 H new ATOM 294 N SER A 20 2.090 -7.605 -2.665 1.00 0.00 N ATOM 295 CA SER A 20 2.090 -6.684 -1.536 1.00 0.00 C ATOM 296 C SER A 20 1.760 -5.256 -1.966 1.00 0.00 C ATOM 297 O SER A 20 2.261 -4.762 -2.980 1.00 0.00 O ATOM 298 CB SER A 20 3.438 -6.736 -0.814 1.00 0.00 C ATOM 299 OG SER A 20 4.497 -6.953 -1.730 1.00 0.00 O ATOM 0 H SER A 20 2.150 -7.157 -3.579 1.00 0.00 H new ATOM 0 HA SER A 20 1.307 -7.001 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.603 -5.802 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.426 -7.533 -0.071 1.00 0.00 H new ATOM 0 HG SER A 20 5.323 -7.139 -1.237 1.00 0.00 H new ATOM 305 N LYS A 21 0.901 -4.608 -1.185 1.00 0.00 N ATOM 306 CA LYS A 21 0.510 -3.223 -1.431 1.00 0.00 C ATOM 307 C LYS A 21 0.868 -2.398 -0.206 1.00 0.00 C ATOM 308 O LYS A 21 0.929 -2.937 0.901 1.00 0.00 O ATOM 309 CB LYS A 21 -0.999 -3.088 -1.703 1.00 0.00 C ATOM 310 CG LYS A 21 -1.667 -4.333 -2.274 1.00 0.00 C ATOM 311 CD LYS A 21 -2.052 -5.319 -1.175 1.00 0.00 C ATOM 312 CE LYS A 21 -2.778 -6.533 -1.732 1.00 0.00 C ATOM 313 NZ LYS A 21 -3.173 -7.479 -0.654 1.00 0.00 N ATOM 0 H LYS A 21 0.458 -5.026 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 21 1.039 -2.870 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.498 -2.822 -0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.155 -2.261 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.557 -4.045 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.991 -4.818 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.155 -5.643 -0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.688 -4.819 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.666 -6.209 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.135 -7.045 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.666 -8.295 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.324 -7.807 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.806 -6.997 0.016 1.00 0.00 H new ATOM 327 N CYS A 22 1.098 -1.110 -0.386 1.00 0.00 N ATOM 328 CA CYS A 22 1.490 -0.257 0.724 1.00 0.00 C ATOM 329 C CYS A 22 0.975 1.170 0.548 1.00 0.00 C ATOM 330 O CYS A 22 0.705 1.617 -0.569 1.00 0.00 O ATOM 331 CB CYS A 22 3.013 -0.259 0.861 1.00 0.00 C ATOM 332 SG CYS A 22 3.886 0.074 -0.686 1.00 0.00 S ATOM 0 H CYS A 22 1.021 -0.633 -1.284 1.00 0.00 H new ATOM 0 HA CYS A 22 1.041 -0.656 1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.303 0.489 1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.332 -1.227 1.246 1.00 0.00 H new ATOM 0 HG CYS A 22 3.356 1.107 -1.270 1.00 0.00 H new ATOM 338 N VAL A 23 0.822 1.868 1.666 1.00 0.00 N ATOM 339 CA VAL A 23 0.383 3.257 1.664 1.00 0.00 C ATOM 340 C VAL A 23 1.518 4.165 2.132 1.00 0.00 C ATOM 341 O VAL A 23 2.159 3.892 3.149 1.00 0.00 O ATOM 342 CB VAL A 23 -0.836 3.466 2.592 1.00 0.00 C ATOM 343 CG1 VAL A 23 -1.398 4.874 2.444 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.917 2.429 2.319 1.00 0.00 C ATOM 0 H VAL A 23 0.998 1.489 2.596 1.00 0.00 H new ATOM 0 HA VAL A 23 0.095 3.508 0.643 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.495 3.339 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.254 4.995 3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.630 5.602 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.712 5.034 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.762 2.600 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.249 2.513 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.515 1.431 2.491 1.00 0.00 H new ATOM 354 N ILE A 24 1.777 5.225 1.380 1.00 0.00 N ATOM 355 CA ILE A 24 2.799 6.192 1.749 1.00 0.00 C ATOM 356 C ILE A 24 2.274 7.120 2.843 1.00 0.00 C ATOM 357 O ILE A 24 1.313 7.857 2.632 1.00 0.00 O ATOM 358 CB ILE A 24 3.244 7.032 0.535 1.00 0.00 C ATOM 359 CG1 ILE A 24 3.699 6.117 -0.605 1.00 0.00 C ATOM 360 CG2 ILE A 24 4.369 7.979 0.935 1.00 0.00 C ATOM 361 CD1 ILE A 24 4.057 6.858 -1.874 1.00 0.00 C ATOM 0 H ILE A 24 1.292 5.437 0.508 1.00 0.00 H new ATOM 0 HA ILE A 24 3.661 5.637 2.119 1.00 0.00 H new ATOM 0 HB ILE A 24 2.396 7.623 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.564 5.542 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.906 5.402 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.675 8.567 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.020 8.647 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.218 7.401 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.370 6.144 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.188 7.411 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.872 7.553 -1.672 1.00 0.00 H new ATOM 373 N VAL A 25 2.896 7.075 4.013 1.00 0.00 N ATOM 374 CA VAL A 25 2.447 7.889 5.136 1.00 0.00 C ATOM 375 C VAL A 25 3.401 9.050 5.414 1.00 0.00 C ATOM 376 O VAL A 25 2.977 10.115 5.865 1.00 0.00 O ATOM 377 CB VAL A 25 2.264 7.049 6.419 1.00 0.00 C ATOM 378 CG1 VAL A 25 1.100 6.084 6.261 1.00 0.00 C ATOM 379 CG2 VAL A 25 3.537 6.290 6.770 1.00 0.00 C ATOM 0 H VAL A 25 3.707 6.488 4.210 1.00 0.00 H new ATOM 0 HA VAL A 25 1.478 8.297 4.847 1.00 0.00 H new ATOM 0 HB VAL A 25 2.045 7.734 7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.985 5.500 7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.185 6.645 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.294 5.414 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.375 5.709 7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.798 5.620 5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.350 6.998 6.933 1.00 0.00 H new ATOM 389 N ASP A 26 4.683 8.848 5.141 1.00 0.00 N ATOM 390 CA ASP A 26 5.677 9.890 5.371 1.00 0.00 C ATOM 391 C ASP A 26 6.753 9.851 4.298 1.00 0.00 C ATOM 392 O ASP A 26 7.095 8.784 3.785 1.00 0.00 O ATOM 393 CB ASP A 26 6.309 9.747 6.761 1.00 0.00 C ATOM 394 CG ASP A 26 7.300 10.856 7.070 1.00 0.00 C ATOM 395 OD1 ASP A 26 6.999 12.032 6.770 1.00 0.00 O ATOM 396 OD2 ASP A 26 8.376 10.558 7.632 1.00 0.00 O ATOM 0 H ASP A 26 5.058 7.978 4.762 1.00 0.00 H new ATOM 0 HA ASP A 26 5.170 10.854 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.522 9.748 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.815 8.784 6.829 1.00 0.00 H new ATOM 401 N ILE A 27 7.279 11.017 3.962 1.00 0.00 N ATOM 402 CA ILE A 27 8.271 11.132 2.910 1.00 0.00 C ATOM 403 C ILE A 27 9.595 11.626 3.477 1.00 0.00 C ATOM 404 O ILE A 27 9.689 12.750 3.973 1.00 0.00 O ATOM 405 CB ILE A 27 7.794 12.087 1.793 1.00 0.00 C ATOM 406 CG1 ILE A 27 6.457 11.606 1.216 1.00 0.00 C ATOM 407 CG2 ILE A 27 8.839 12.193 0.693 1.00 0.00 C ATOM 408 CD1 ILE A 27 5.895 12.508 0.137 1.00 0.00 C ATOM 0 H ILE A 27 7.033 11.901 4.406 1.00 0.00 H new ATOM 0 HA ILE A 27 8.412 10.141 2.480 1.00 0.00 H new ATOM 0 HB ILE A 27 7.652 13.077 2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.588 10.604 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.731 11.527 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.483 12.870 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.769 12.577 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.015 11.207 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.949 12.101 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.730 13.505 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.601 12.568 -0.691 1.00 0.00 H new ATOM 420 N ILE A 28 10.610 10.782 3.421 1.00 0.00 N ATOM 421 CA ILE A 28 11.925 11.156 3.914 1.00 0.00 C ATOM 422 C ILE A 28 12.682 11.917 2.831 1.00 0.00 C ATOM 423 O ILE A 28 13.113 13.053 3.040 1.00 0.00 O ATOM 424 CB ILE A 28 12.757 9.928 4.372 1.00 0.00 C ATOM 425 CG1 ILE A 28 12.104 9.226 5.571 1.00 0.00 C ATOM 426 CG2 ILE A 28 14.179 10.343 4.728 1.00 0.00 C ATOM 427 CD1 ILE A 28 10.909 8.358 5.223 1.00 0.00 C ATOM 0 H ILE A 28 10.550 9.837 3.041 1.00 0.00 H new ATOM 0 HA ILE A 28 11.777 11.792 4.787 1.00 0.00 H new ATOM 0 HB ILE A 28 12.789 9.226 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.853 8.608 6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.790 9.982 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 28 14.745 9.467 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 28 14.658 10.787 3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.153 11.072 5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.513 7.903 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.137 8.971 4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.217 7.576 4.530 1.00 0.00 H new ATOM 439 N ASP A 29 12.822 11.291 1.672 1.00 0.00 N ATOM 440 CA ASP A 29 13.457 11.925 0.528 1.00 0.00 C ATOM 441 C ASP A 29 12.672 11.616 -0.741 1.00 0.00 C ATOM 442 O ASP A 29 11.534 11.159 -0.672 1.00 0.00 O ATOM 443 CB ASP A 29 14.918 11.477 0.388 1.00 0.00 C ATOM 444 CG ASP A 29 15.070 9.988 0.165 1.00 0.00 C ATOM 445 OD1 ASP A 29 15.014 9.545 -1.003 1.00 0.00 O ATOM 446 OD2 ASP A 29 15.272 9.256 1.151 1.00 0.00 O ATOM 0 H ASP A 29 12.502 10.338 1.499 1.00 0.00 H new ATOM 0 HA ASP A 29 13.457 13.003 0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.376 12.010 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.465 11.760 1.287 1.00 0.00 H new ATOM 451 N ASP A 30 13.282 11.861 -1.890 1.00 0.00 N ATOM 452 CA ASP A 30 12.575 11.775 -3.167 1.00 0.00 C ATOM 453 C ASP A 30 12.526 10.342 -3.707 1.00 0.00 C ATOM 454 O ASP A 30 11.833 10.062 -4.686 1.00 0.00 O ATOM 455 CB ASP A 30 13.240 12.707 -4.186 1.00 0.00 C ATOM 456 CG ASP A 30 12.433 12.862 -5.463 1.00 0.00 C ATOM 457 OD1 ASP A 30 11.347 13.480 -5.412 1.00 0.00 O ATOM 458 OD2 ASP A 30 12.889 12.387 -6.525 1.00 0.00 O ATOM 0 H ASP A 30 14.265 12.121 -1.969 1.00 0.00 H new ATOM 0 HA ASP A 30 11.544 12.087 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.385 13.688 -3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.229 12.321 -4.432 1.00 0.00 H new ATOM 463 N ASN A 31 13.250 9.430 -3.073 1.00 0.00 N ATOM 464 CA ASN A 31 13.277 8.042 -3.527 1.00 0.00 C ATOM 465 C ASN A 31 12.810 7.096 -2.429 1.00 0.00 C ATOM 466 O ASN A 31 12.045 6.165 -2.683 1.00 0.00 O ATOM 467 CB ASN A 31 14.685 7.653 -3.992 1.00 0.00 C ATOM 468 CG ASN A 31 14.748 6.243 -4.561 1.00 0.00 C ATOM 469 OD1 ASN A 31 13.776 5.742 -5.125 1.00 0.00 O ATOM 470 ND2 ASN A 31 15.896 5.596 -4.424 1.00 0.00 N ATOM 0 H ASN A 31 13.822 9.621 -2.250 1.00 0.00 H new ATOM 0 HA ASN A 31 12.591 7.955 -4.370 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.021 8.361 -4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.375 7.732 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.995 4.650 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.680 6.044 -3.950 1.00 0.00 H new ATOM 477 N PHE A 32 13.269 7.334 -1.208 1.00 0.00 N ATOM 478 CA PHE A 32 12.894 6.492 -0.083 1.00 0.00 C ATOM 479 C PHE A 32 11.815 7.156 0.761 1.00 0.00 C ATOM 480 O PHE A 32 12.001 8.255 1.294 1.00 0.00 O ATOM 481 CB PHE A 32 14.113 6.156 0.780 1.00 0.00 C ATOM 482 CG PHE A 32 15.038 5.156 0.146 1.00 0.00 C ATOM 483 CD1 PHE A 32 14.852 3.798 0.356 1.00 0.00 C ATOM 484 CD2 PHE A 32 16.090 5.567 -0.652 1.00 0.00 C ATOM 485 CE1 PHE A 32 15.692 2.871 -0.226 1.00 0.00 C ATOM 486 CE2 PHE A 32 16.935 4.643 -1.238 1.00 0.00 C ATOM 487 CZ PHE A 32 16.738 3.293 -1.021 1.00 0.00 C ATOM 0 H PHE A 32 13.899 8.101 -0.973 1.00 0.00 H new ATOM 0 HA PHE A 32 12.491 5.563 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 32 14.667 7.072 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 32 13.773 5.767 1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.039 3.462 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 32 16.253 6.621 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.531 1.816 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 32 17.749 4.976 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.401 2.570 -1.472 1.00 0.00 H new ATOM 497 N VAL A 33 10.683 6.482 0.868 1.00 0.00 N ATOM 498 CA VAL A 33 9.568 6.968 1.660 1.00 0.00 C ATOM 499 C VAL A 33 9.172 5.936 2.705 1.00 0.00 C ATOM 500 O VAL A 33 9.620 4.786 2.658 1.00 0.00 O ATOM 501 CB VAL A 33 8.344 7.297 0.778 1.00 0.00 C ATOM 502 CG1 VAL A 33 8.655 8.437 -0.180 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.885 6.070 0.006 1.00 0.00 C ATOM 0 H VAL A 33 10.512 5.587 0.410 1.00 0.00 H new ATOM 0 HA VAL A 33 9.894 7.884 2.152 1.00 0.00 H new ATOM 0 HB VAL A 33 7.535 7.612 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.777 8.649 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.926 9.327 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.486 8.153 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.022 6.328 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.694 5.720 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.610 5.281 0.706 1.00 0.00 H new ATOM 513 N LEU A 34 8.343 6.343 3.650 1.00 0.00 N ATOM 514 CA LEU A 34 7.860 5.435 4.675 1.00 0.00 C ATOM 515 C LEU A 34 6.486 4.919 4.285 1.00 0.00 C ATOM 516 O LEU A 34 5.527 5.690 4.175 1.00 0.00 O ATOM 517 CB LEU A 34 7.799 6.137 6.036 1.00 0.00 C ATOM 518 CG LEU A 34 7.316 5.264 7.199 1.00 0.00 C ATOM 519 CD1 LEU A 34 8.259 4.091 7.417 1.00 0.00 C ATOM 520 CD2 LEU A 34 7.193 6.092 8.468 1.00 0.00 C ATOM 0 H LEU A 34 7.990 7.297 3.729 1.00 0.00 H new ATOM 0 HA LEU A 34 8.551 4.596 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.792 6.517 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.139 7.000 5.952 1.00 0.00 H new ATOM 0 HG LEU A 34 6.332 4.869 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.898 3.484 8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.299 3.483 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.257 4.464 7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.849 5.457 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.165 6.515 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.477 6.898 8.308 1.00 0.00 H new ATOM 532 N VAL A 35 6.396 3.621 4.063 1.00 0.00 N ATOM 533 CA VAL A 35 5.147 3.010 3.652 1.00 0.00 C ATOM 534 C VAL A 35 4.695 1.960 4.659 1.00 0.00 C ATOM 535 O VAL A 35 5.515 1.335 5.335 1.00 0.00 O ATOM 536 CB VAL A 35 5.255 2.373 2.250 1.00 0.00 C ATOM 537 CG1 VAL A 35 5.531 3.431 1.191 1.00 0.00 C ATOM 538 CG2 VAL A 35 6.330 1.296 2.222 1.00 0.00 C ATOM 0 H VAL A 35 7.174 2.969 4.161 1.00 0.00 H new ATOM 0 HA VAL A 35 4.404 3.806 3.610 1.00 0.00 H new ATOM 0 HB VAL A 35 4.297 1.905 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.603 2.956 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.719 4.158 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.469 3.937 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.386 0.863 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.293 1.736 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.082 0.516 2.942 1.00 0.00 H new ATOM 548 N THR A 36 3.391 1.791 4.767 1.00 0.00 N ATOM 549 CA THR A 36 2.811 0.820 5.673 1.00 0.00 C ATOM 550 C THR A 36 1.405 0.464 5.201 1.00 0.00 C ATOM 551 O THR A 36 0.882 1.086 4.276 1.00 0.00 O ATOM 552 CB THR A 36 2.760 1.363 7.123 1.00 0.00 C ATOM 553 OG1 THR A 36 2.366 0.330 8.035 1.00 0.00 O ATOM 554 CG2 THR A 36 1.793 2.531 7.242 1.00 0.00 C ATOM 0 H THR A 36 2.706 2.322 4.230 1.00 0.00 H new ATOM 0 HA THR A 36 3.439 -0.071 5.671 1.00 0.00 H new ATOM 0 HB THR A 36 3.762 1.709 7.376 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.341 0.690 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.780 2.889 8.271 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.113 3.337 6.581 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.792 2.205 6.959 1.00 0.00 H new ATOM 562 N GLY A 37 0.805 -0.535 5.817 1.00 0.00 N ATOM 563 CA GLY A 37 -0.561 -0.880 5.493 1.00 0.00 C ATOM 564 C GLY A 37 -1.430 -0.898 6.729 1.00 0.00 C ATOM 565 O GLY A 37 -0.910 -0.951 7.842 1.00 0.00 O ATOM 0 H GLY A 37 1.237 -1.115 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.959 -0.162 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.587 -1.858 5.013 1.00 0.00 H new ATOM 569 N PRO A 38 -2.756 -0.843 6.570 1.00 0.00 N ATOM 570 CA PRO A 38 -3.684 -0.876 7.700 1.00 0.00 C ATOM 571 C PRO A 38 -3.646 -2.215 8.422 1.00 0.00 C ATOM 572 O PRO A 38 -3.494 -3.272 7.797 1.00 0.00 O ATOM 573 CB PRO A 38 -5.064 -0.658 7.060 1.00 0.00 C ATOM 574 CG PRO A 38 -4.787 -0.159 5.681 1.00 0.00 C ATOM 575 CD PRO A 38 -3.461 -0.739 5.288 1.00 0.00 C ATOM 0 HA PRO A 38 -3.434 -0.125 8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.636 -1.585 7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.651 0.063 7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.569 -0.471 4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.758 0.930 5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.572 -1.711 4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.931 -0.095 4.586 1.00 0.00 H new ATOM 583 N LYS A 39 -3.786 -2.171 9.736 1.00 0.00 N ATOM 584 CA LYS A 39 -3.835 -3.367 10.536 1.00 0.00 C ATOM 585 C LYS A 39 -5.261 -3.876 10.562 1.00 0.00 C ATOM 586 O LYS A 39 -6.099 -3.428 9.773 1.00 0.00 O ATOM 587 CB LYS A 39 -3.334 -3.087 11.959 1.00 0.00 C ATOM 588 CG LYS A 39 -3.233 -1.605 12.294 1.00 0.00 C ATOM 589 CD LYS A 39 -2.972 -1.362 13.773 1.00 0.00 C ATOM 590 CE LYS A 39 -4.194 -1.686 14.622 1.00 0.00 C ATOM 591 NZ LYS A 39 -5.407 -0.949 14.173 1.00 0.00 N ATOM 0 H LYS A 39 -3.868 -1.306 10.270 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.184 -4.125 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.005 -3.566 12.672 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.354 -3.546 12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.431 -1.156 11.708 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.158 -1.106 12.004 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.130 -1.973 14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.688 -0.321 13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.387 -2.758 14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.986 -1.439 15.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.005 -0.732 14.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.123 -0.063 13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.942 -1.537 13.502 1.00 0.00 H new ATOM 605 N ASP A 40 -5.521 -4.791 11.478 1.00 0.00 N ATOM 606 CA ASP A 40 -6.830 -5.428 11.635 1.00 0.00 C ATOM 607 C ASP A 40 -7.162 -6.316 10.436 1.00 0.00 C ATOM 608 O ASP A 40 -7.395 -7.516 10.578 1.00 0.00 O ATOM 609 CB ASP A 40 -7.935 -4.383 11.831 1.00 0.00 C ATOM 610 CG ASP A 40 -7.688 -3.462 13.012 1.00 0.00 C ATOM 611 OD1 ASP A 40 -7.982 -3.863 14.157 1.00 0.00 O ATOM 612 OD2 ASP A 40 -7.210 -2.324 12.800 1.00 0.00 O ATOM 0 H ASP A 40 -4.825 -5.122 12.146 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.779 -6.053 12.526 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.024 -3.784 10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.888 -4.894 11.970 1.00 0.00 H new ATOM 617 N ILE A 41 -7.161 -5.716 9.257 1.00 0.00 N ATOM 618 CA ILE A 41 -7.533 -6.398 8.028 1.00 0.00 C ATOM 619 C ILE A 41 -6.323 -7.067 7.377 1.00 0.00 C ATOM 620 O ILE A 41 -6.185 -8.288 7.419 1.00 0.00 O ATOM 621 CB ILE A 41 -8.174 -5.410 7.025 1.00 0.00 C ATOM 622 CG1 ILE A 41 -9.343 -4.675 7.684 1.00 0.00 C ATOM 623 CG2 ILE A 41 -8.639 -6.139 5.772 1.00 0.00 C ATOM 624 CD1 ILE A 41 -9.949 -3.592 6.813 1.00 0.00 C ATOM 0 H ILE A 41 -6.901 -4.739 9.125 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.260 -7.167 8.291 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.422 -4.678 6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.117 -5.398 7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.001 -4.229 8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.087 -5.425 5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.786 -6.621 5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.378 -6.893 6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.772 -3.115 7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.189 -2.847 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.323 -4.034 5.890 1.00 0.00 H new ATOM 636 N THR A 42 -5.445 -6.267 6.783 1.00 0.00 N ATOM 637 CA THR A 42 -4.311 -6.804 6.039 1.00 0.00 C ATOM 638 C THR A 42 -3.092 -6.988 6.944 1.00 0.00 C ATOM 639 O THR A 42 -2.476 -8.056 6.964 1.00 0.00 O ATOM 640 CB THR A 42 -3.947 -5.882 4.861 1.00 0.00 C ATOM 641 OG1 THR A 42 -5.143 -5.440 4.203 1.00 0.00 O ATOM 642 CG2 THR A 42 -3.054 -6.603 3.864 1.00 0.00 C ATOM 0 H THR A 42 -5.496 -5.248 6.802 1.00 0.00 H new ATOM 0 HA THR A 42 -4.606 -7.779 5.651 1.00 0.00 H new ATOM 0 HB THR A 42 -3.405 -5.022 5.254 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.135 -5.743 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.811 -5.931 3.041 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.135 -6.918 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.575 -7.478 3.476 1.00 0.00 H new ATOM 650 N GLY A 43 -2.743 -5.945 7.689 1.00 0.00 N ATOM 651 CA GLY A 43 -1.641 -6.038 8.627 1.00 0.00 C ATOM 652 C GLY A 43 -0.286 -5.942 7.956 1.00 0.00 C ATOM 653 O GLY A 43 0.627 -6.712 8.266 1.00 0.00 O ATOM 0 H GLY A 43 -3.205 -5.036 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.732 -5.242 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.708 -6.983 9.166 1.00 0.00 H new ATOM 657 N VAL A 44 -0.141 -4.999 7.036 1.00 0.00 N ATOM 658 CA VAL A 44 1.136 -4.795 6.368 1.00 0.00 C ATOM 659 C VAL A 44 2.080 -4.027 7.283 1.00 0.00 C ATOM 660 O VAL A 44 1.800 -2.892 7.661 1.00 0.00 O ATOM 661 CB VAL A 44 0.986 -4.030 5.036 1.00 0.00 C ATOM 662 CG1 VAL A 44 2.321 -3.946 4.309 1.00 0.00 C ATOM 663 CG2 VAL A 44 -0.071 -4.674 4.157 1.00 0.00 C ATOM 0 H VAL A 44 -0.885 -4.368 6.737 1.00 0.00 H new ATOM 0 HA VAL A 44 1.542 -5.781 6.142 1.00 0.00 H new ATOM 0 HB VAL A 44 0.660 -3.015 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.192 -3.403 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.044 -3.423 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.684 -4.952 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.158 -4.116 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.215 -5.703 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.030 -4.665 4.675 1.00 0.00 H new ATOM 673 N LYS A 45 3.191 -4.658 7.635 1.00 0.00 N ATOM 674 CA LYS A 45 4.160 -4.055 8.538 1.00 0.00 C ATOM 675 C LYS A 45 4.965 -2.985 7.808 1.00 0.00 C ATOM 676 O LYS A 45 5.341 -3.167 6.649 1.00 0.00 O ATOM 677 CB LYS A 45 5.070 -5.140 9.127 1.00 0.00 C ATOM 678 CG LYS A 45 4.678 -5.575 10.539 1.00 0.00 C ATOM 679 CD LYS A 45 3.215 -6.021 10.653 1.00 0.00 C ATOM 680 CE LYS A 45 3.018 -7.514 10.398 1.00 0.00 C ATOM 681 NZ LYS A 45 3.069 -7.861 8.952 1.00 0.00 N ATOM 0 H LYS A 45 3.444 -5.590 7.308 1.00 0.00 H new ATOM 0 HA LYS A 45 3.635 -3.571 9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.053 -6.010 8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.096 -4.772 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.326 -6.394 10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.853 -4.749 11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.844 -5.777 11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.613 -5.455 9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.788 -8.074 10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.057 -7.825 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.780 -8.852 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.424 -7.240 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.039 -7.734 8.599 1.00 0.00 H new ATOM 695 N ARG A 46 5.219 -1.869 8.487 1.00 0.00 N ATOM 696 CA ARG A 46 5.830 -0.705 7.846 1.00 0.00 C ATOM 697 C ARG A 46 7.304 -0.927 7.534 1.00 0.00 C ATOM 698 O ARG A 46 8.010 -1.650 8.244 1.00 0.00 O ATOM 699 CB ARG A 46 5.658 0.549 8.713 1.00 0.00 C ATOM 700 CG ARG A 46 6.328 0.472 10.072 1.00 0.00 C ATOM 701 CD ARG A 46 6.072 1.733 10.879 1.00 0.00 C ATOM 702 NE ARG A 46 6.685 1.683 12.202 1.00 0.00 N ATOM 703 CZ ARG A 46 6.245 2.378 13.252 1.00 0.00 C ATOM 704 NH1 ARG A 46 5.196 3.183 13.130 1.00 0.00 N ATOM 705 NH2 ARG A 46 6.857 2.268 14.419 1.00 0.00 N ATOM 0 H ARG A 46 5.012 -1.745 9.478 1.00 0.00 H new ATOM 0 HA ARG A 46 5.311 -0.558 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.059 1.407 8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.593 0.732 8.857 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.954 -0.395 10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.401 0.329 9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.460 2.594 10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.997 1.881 10.985 1.00 0.00 H new ATOM 0 HE ARG A 46 7.498 1.081 12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.723 3.272 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.863 3.713 13.936 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.664 1.652 14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.522 2.799 15.223 1.00 0.00 H new ATOM 719 N ARG A 47 7.758 -0.285 6.464 1.00 0.00 N ATOM 720 CA ARG A 47 9.130 -0.409 5.992 1.00 0.00 C ATOM 721 C ARG A 47 9.478 0.807 5.132 1.00 0.00 C ATOM 722 O ARG A 47 8.591 1.407 4.526 1.00 0.00 O ATOM 723 CB ARG A 47 9.271 -1.695 5.165 1.00 0.00 C ATOM 724 CG ARG A 47 10.697 -2.045 4.762 1.00 0.00 C ATOM 725 CD ARG A 47 11.511 -2.532 5.948 1.00 0.00 C ATOM 726 NE ARG A 47 12.840 -2.994 5.545 1.00 0.00 N ATOM 727 CZ ARG A 47 13.633 -3.745 6.308 1.00 0.00 C ATOM 728 NH1 ARG A 47 13.210 -4.174 7.492 1.00 0.00 N ATOM 729 NH2 ARG A 47 14.839 -4.084 5.868 1.00 0.00 N ATOM 0 H ARG A 47 7.182 0.338 5.898 1.00 0.00 H new ATOM 0 HA ARG A 47 9.811 -0.456 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.857 -2.525 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.667 -1.597 4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.679 -2.816 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.177 -1.169 4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.612 -1.726 6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.979 -3.344 6.444 1.00 0.00 H new ATOM 0 HE ARG A 47 13.180 -2.724 4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.276 -3.929 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.820 -4.749 8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.154 -3.770 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.450 -4.659 6.448 1.00 0.00 H new ATOM 743 N ARG A 48 10.748 1.193 5.101 1.00 0.00 N ATOM 744 CA ARG A 48 11.187 2.255 4.205 1.00 0.00 C ATOM 745 C ARG A 48 11.681 1.657 2.896 1.00 0.00 C ATOM 746 O ARG A 48 12.725 1.004 2.852 1.00 0.00 O ATOM 747 CB ARG A 48 12.278 3.111 4.847 1.00 0.00 C ATOM 748 CG ARG A 48 11.788 3.898 6.049 1.00 0.00 C ATOM 749 CD ARG A 48 12.775 4.979 6.462 1.00 0.00 C ATOM 750 NE ARG A 48 14.038 4.436 6.961 1.00 0.00 N ATOM 751 CZ ARG A 48 15.034 5.190 7.427 1.00 0.00 C ATOM 752 NH1 ARG A 48 14.925 6.514 7.423 1.00 0.00 N ATOM 753 NH2 ARG A 48 16.138 4.620 7.885 1.00 0.00 N ATOM 0 H ARG A 48 11.485 0.791 5.680 1.00 0.00 H new ATOM 0 HA ARG A 48 10.335 2.904 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.103 2.468 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.673 3.803 4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.826 4.355 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.624 3.218 6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.976 5.626 5.608 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.323 5.601 7.234 1.00 0.00 H new ATOM 0 HE ARG A 48 14.164 3.424 6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.079 6.955 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.688 7.090 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.227 3.604 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.900 5.197 8.241 1.00 0.00 H new ATOM 767 N VAL A 49 10.917 1.870 1.836 1.00 0.00 N ATOM 768 CA VAL A 49 11.207 1.270 0.542 1.00 0.00 C ATOM 769 C VAL A 49 11.366 2.359 -0.522 1.00 0.00 C ATOM 770 O VAL A 49 10.877 3.477 -0.352 1.00 0.00 O ATOM 771 CB VAL A 49 10.081 0.289 0.118 1.00 0.00 C ATOM 772 CG1 VAL A 49 10.474 -0.517 -1.111 1.00 0.00 C ATOM 773 CG2 VAL A 49 9.717 -0.649 1.258 1.00 0.00 C ATOM 0 H VAL A 49 10.084 2.459 1.847 1.00 0.00 H new ATOM 0 HA VAL A 49 12.139 0.712 0.632 1.00 0.00 H new ATOM 0 HB VAL A 49 9.209 0.892 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.661 -1.193 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.671 0.160 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.371 -1.097 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.926 -1.325 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.594 -1.228 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.370 -0.067 2.111 1.00 0.00 H new ATOM 783 N ASN A 50 12.057 2.029 -1.607 1.00 0.00 N ATOM 784 CA ASN A 50 12.232 2.952 -2.719 1.00 0.00 C ATOM 785 C ASN A 50 11.040 2.864 -3.664 1.00 0.00 C ATOM 786 O ASN A 50 10.437 1.801 -3.813 1.00 0.00 O ATOM 787 CB ASN A 50 13.529 2.650 -3.480 1.00 0.00 C ATOM 788 CG ASN A 50 13.549 1.253 -4.077 1.00 0.00 C ATOM 789 OD1 ASN A 50 13.109 1.036 -5.207 1.00 0.00 O ATOM 790 ND2 ASN A 50 14.078 0.298 -3.326 1.00 0.00 N ATOM 0 H ASN A 50 12.507 1.123 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 50 12.297 3.963 -2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.656 3.383 -4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.376 2.764 -2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.132 -0.657 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.432 0.518 -2.395 1.00 0.00 H new ATOM 797 N ILE A 51 10.712 3.975 -4.303 1.00 0.00 N ATOM 798 CA ILE A 51 9.547 4.054 -5.174 1.00 0.00 C ATOM 799 C ILE A 51 9.850 3.563 -6.590 1.00 0.00 C ATOM 800 O ILE A 51 9.018 3.678 -7.486 1.00 0.00 O ATOM 801 CB ILE A 51 9.028 5.502 -5.248 1.00 0.00 C ATOM 802 CG1 ILE A 51 10.135 6.447 -5.733 1.00 0.00 C ATOM 803 CG2 ILE A 51 8.504 5.947 -3.889 1.00 0.00 C ATOM 804 CD1 ILE A 51 9.678 7.878 -5.932 1.00 0.00 C ATOM 0 H ILE A 51 11.242 4.844 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 51 8.787 3.404 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 51 8.208 5.539 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.952 6.434 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.535 6.070 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.141 6.972 -3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.688 5.293 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.308 5.895 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.517 8.483 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.882 7.906 -6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.306 8.276 -4.988 1.00 0.00 H new ATOM 816 N LEU A 52 11.032 2.992 -6.784 1.00 0.00 N ATOM 817 CA LEU A 52 11.476 2.578 -8.112 1.00 0.00 C ATOM 818 C LEU A 52 10.822 1.257 -8.536 1.00 0.00 C ATOM 819 O LEU A 52 10.917 0.848 -9.690 1.00 0.00 O ATOM 820 CB LEU A 52 13.005 2.448 -8.129 1.00 0.00 C ATOM 821 CG LEU A 52 13.626 2.140 -9.497 1.00 0.00 C ATOM 822 CD1 LEU A 52 13.365 3.273 -10.477 1.00 0.00 C ATOM 823 CD2 LEU A 52 15.120 1.892 -9.357 1.00 0.00 C ATOM 0 H LEU A 52 11.702 2.804 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 52 11.170 3.341 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.435 3.377 -7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.293 1.660 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 52 13.158 1.237 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.815 3.032 -11.440 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.290 3.406 -10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.802 4.194 -10.093 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.546 1.675 -10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.599 2.779 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.287 1.044 -8.692 1.00 0.00 H new ATOM 835 N HIS A 53 10.163 0.587 -7.599 1.00 0.00 N ATOM 836 CA HIS A 53 9.523 -0.696 -7.892 1.00 0.00 C ATOM 837 C HIS A 53 8.026 -0.641 -7.595 1.00 0.00 C ATOM 838 O HIS A 53 7.358 -1.675 -7.533 1.00 0.00 O ATOM 839 CB HIS A 53 10.169 -1.825 -7.075 1.00 0.00 C ATOM 840 CG HIS A 53 11.622 -2.057 -7.377 1.00 0.00 C ATOM 841 ND1 HIS A 53 12.513 -2.552 -6.449 1.00 0.00 N ATOM 842 CD2 HIS A 53 12.339 -1.870 -8.515 1.00 0.00 C ATOM 843 CE1 HIS A 53 13.709 -2.656 -6.998 1.00 0.00 C ATOM 844 NE2 HIS A 53 13.632 -2.252 -8.250 1.00 0.00 N ATOM 0 H HIS A 53 10.056 0.905 -6.636 1.00 0.00 H new ATOM 0 HA HIS A 53 9.663 -0.900 -8.954 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.063 -1.596 -6.015 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.620 -2.749 -7.258 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.963 -1.491 -9.454 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.601 -3.012 -6.504 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.406 -2.227 -8.914 1.00 0.00 H new ATOM 853 N LEU A 54 7.503 0.566 -7.423 1.00 0.00 N ATOM 854 CA LEU A 54 6.107 0.745 -7.037 1.00 0.00 C ATOM 855 C LEU A 54 5.338 1.517 -8.105 1.00 0.00 C ATOM 856 O LEU A 54 5.760 2.591 -8.525 1.00 0.00 O ATOM 857 CB LEU A 54 6.000 1.480 -5.693 1.00 0.00 C ATOM 858 CG LEU A 54 6.327 0.659 -4.436 1.00 0.00 C ATOM 859 CD1 LEU A 54 7.793 0.261 -4.396 1.00 0.00 C ATOM 860 CD2 LEU A 54 5.969 1.446 -3.189 1.00 0.00 C ATOM 0 H LEU A 54 8.023 1.435 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 54 5.666 -0.247 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.667 2.342 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.985 1.866 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 54 5.732 -0.253 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.988 -0.318 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.030 -0.342 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.413 1.157 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.205 0.854 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.541 2.374 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.904 1.676 -3.197 1.00 0.00 H new ATOM 872 N GLU A 55 4.210 0.963 -8.533 1.00 0.00 N ATOM 873 CA GLU A 55 3.352 1.619 -9.514 1.00 0.00 C ATOM 874 C GLU A 55 2.027 2.019 -8.877 1.00 0.00 C ATOM 875 O GLU A 55 1.302 1.174 -8.344 1.00 0.00 O ATOM 876 CB GLU A 55 3.102 0.700 -10.716 1.00 0.00 C ATOM 877 CG GLU A 55 4.228 0.704 -11.740 1.00 0.00 C ATOM 878 CD GLU A 55 4.174 1.901 -12.670 1.00 0.00 C ATOM 879 OE1 GLU A 55 4.063 3.043 -12.185 1.00 0.00 O ATOM 880 OE2 GLU A 55 4.233 1.708 -13.905 1.00 0.00 O ATOM 0 H GLU A 55 3.866 0.057 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 55 3.860 2.517 -9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.954 -0.319 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.177 1.003 -11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.186 0.697 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.179 -0.211 -12.330 1.00 0.00 H new ATOM 887 N PRO A 56 1.717 3.321 -8.887 1.00 0.00 N ATOM 888 CA PRO A 56 0.450 3.846 -8.390 1.00 0.00 C ATOM 889 C PRO A 56 -0.679 3.688 -9.410 1.00 0.00 C ATOM 890 O PRO A 56 -0.508 3.984 -10.595 1.00 0.00 O ATOM 891 CB PRO A 56 0.742 5.337 -8.144 1.00 0.00 C ATOM 892 CG PRO A 56 2.189 5.538 -8.469 1.00 0.00 C ATOM 893 CD PRO A 56 2.586 4.398 -9.357 1.00 0.00 C ATOM 0 HA PRO A 56 0.114 3.315 -7.500 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.111 5.966 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.534 5.609 -7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.345 6.493 -8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.793 5.552 -7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.419 4.625 -10.410 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.641 4.146 -9.249 1.00 0.00 H new ATOM 901 N THR A 57 -1.827 3.219 -8.940 1.00 0.00 N ATOM 902 CA THR A 57 -2.994 3.041 -9.799 1.00 0.00 C ATOM 903 C THR A 57 -3.610 4.389 -10.183 1.00 0.00 C ATOM 904 O THR A 57 -3.315 5.413 -9.565 1.00 0.00 O ATOM 905 CB THR A 57 -4.062 2.183 -9.096 1.00 0.00 C ATOM 906 OG1 THR A 57 -4.391 2.770 -7.832 1.00 0.00 O ATOM 907 CG2 THR A 57 -3.567 0.760 -8.888 1.00 0.00 C ATOM 0 H THR A 57 -1.977 2.954 -7.967 1.00 0.00 H new ATOM 0 HA THR A 57 -2.656 2.534 -10.703 1.00 0.00 H new ATOM 0 HB THR A 57 -4.949 2.148 -9.729 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.072 2.225 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.340 0.175 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.337 0.310 -9.854 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.668 0.774 -8.271 1.00 0.00 H new ATOM 915 N ASP A 58 -4.484 4.370 -11.189 1.00 0.00 N ATOM 916 CA ASP A 58 -5.133 5.586 -11.689 1.00 0.00 C ATOM 917 C ASP A 58 -6.078 6.193 -10.650 1.00 0.00 C ATOM 918 O ASP A 58 -6.361 7.395 -10.679 1.00 0.00 O ATOM 919 CB ASP A 58 -5.912 5.277 -12.973 1.00 0.00 C ATOM 920 CG ASP A 58 -5.017 4.830 -14.112 1.00 0.00 C ATOM 921 OD1 ASP A 58 -4.717 3.617 -14.203 1.00 0.00 O ATOM 922 OD2 ASP A 58 -4.604 5.689 -14.925 1.00 0.00 O ATOM 0 H ASP A 58 -4.762 3.519 -11.678 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.349 6.314 -11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.647 4.499 -12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.465 6.165 -13.279 1.00 0.00 H new ATOM 927 N LYS A 59 -6.570 5.357 -9.743 1.00 0.00 N ATOM 928 CA LYS A 59 -7.449 5.814 -8.667 1.00 0.00 C ATOM 929 C LYS A 59 -6.692 6.739 -7.715 1.00 0.00 C ATOM 930 O LYS A 59 -5.486 6.593 -7.534 1.00 0.00 O ATOM 931 CB LYS A 59 -8.008 4.622 -7.877 1.00 0.00 C ATOM 932 CG LYS A 59 -9.107 3.836 -8.583 1.00 0.00 C ATOM 933 CD LYS A 59 -8.584 3.030 -9.763 1.00 0.00 C ATOM 934 CE LYS A 59 -9.686 2.189 -10.398 1.00 0.00 C ATOM 935 NZ LYS A 59 -10.823 3.024 -10.870 1.00 0.00 N ATOM 0 H LYS A 59 -6.376 4.356 -9.729 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.276 6.360 -9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.188 3.942 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.397 4.987 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.582 3.163 -7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.876 4.526 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.165 3.705 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.775 2.380 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.275 1.628 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.048 1.460 -9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.459 2.446 -11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.347 3.392 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.460 3.819 -11.434 1.00 0.00 H new ATOM 949 N LYS A 60 -7.397 7.672 -7.093 1.00 0.00 N ATOM 950 CA LYS A 60 -6.777 8.589 -6.141 1.00 0.00 C ATOM 951 C LYS A 60 -7.813 9.188 -5.198 1.00 0.00 C ATOM 952 O LYS A 60 -8.808 9.765 -5.634 1.00 0.00 O ATOM 953 CB LYS A 60 -6.041 9.723 -6.865 1.00 0.00 C ATOM 954 CG LYS A 60 -5.412 10.735 -5.913 1.00 0.00 C ATOM 955 CD LYS A 60 -4.847 11.939 -6.650 1.00 0.00 C ATOM 956 CE LYS A 60 -4.303 12.981 -5.681 1.00 0.00 C ATOM 957 NZ LYS A 60 -3.811 14.201 -6.379 1.00 0.00 N ATOM 0 H LYS A 60 -8.398 7.816 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.059 8.009 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.263 9.296 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.740 10.239 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.160 11.069 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.617 10.252 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.052 11.616 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.625 12.387 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.085 13.260 -4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.490 12.545 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.314 14.813 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.158 13.926 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.617 14.718 -6.785 1.00 0.00 H new ATOM 971 N ILE A 61 -7.577 9.030 -3.904 1.00 0.00 N ATOM 972 CA ILE A 61 -8.359 9.723 -2.894 1.00 0.00 C ATOM 973 C ILE A 61 -7.530 10.868 -2.327 1.00 0.00 C ATOM 974 O ILE A 61 -6.466 10.652 -1.748 1.00 0.00 O ATOM 975 CB ILE A 61 -8.833 8.781 -1.761 1.00 0.00 C ATOM 976 CG1 ILE A 61 -7.671 7.934 -1.230 1.00 0.00 C ATOM 977 CG2 ILE A 61 -9.962 7.893 -2.261 1.00 0.00 C ATOM 978 CD1 ILE A 61 -8.050 7.035 -0.073 1.00 0.00 C ATOM 0 H ILE A 61 -6.847 8.425 -3.529 1.00 0.00 H new ATOM 0 HA ILE A 61 -9.260 10.110 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.204 9.390 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.280 7.321 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.865 8.597 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.289 7.233 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.798 8.514 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.609 7.294 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.177 6.467 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.413 7.642 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.834 6.347 -0.389 1.00 0.00 H new ATOM 990 N ASP A 62 -8.007 12.084 -2.528 1.00 0.00 N ATOM 991 CA ASP A 62 -7.221 13.271 -2.212 1.00 0.00 C ATOM 992 C ASP A 62 -7.256 13.579 -0.720 1.00 0.00 C ATOM 993 O ASP A 62 -8.265 14.057 -0.194 1.00 0.00 O ATOM 994 CB ASP A 62 -7.740 14.470 -3.007 1.00 0.00 C ATOM 995 CG ASP A 62 -6.771 15.635 -2.992 1.00 0.00 C ATOM 996 OD1 ASP A 62 -6.732 16.378 -1.990 1.00 0.00 O ATOM 997 OD2 ASP A 62 -6.050 15.815 -3.994 1.00 0.00 O ATOM 0 H ASP A 62 -8.933 12.279 -2.908 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.186 13.073 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.924 14.167 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.696 14.791 -2.593 1.00 0.00 H new ATOM 1002 N ILE A 63 -6.157 13.285 -0.040 1.00 0.00 N ATOM 1003 CA ILE A 63 -6.022 13.603 1.375 1.00 0.00 C ATOM 1004 C ILE A 63 -4.763 14.422 1.615 1.00 0.00 C ATOM 1005 O ILE A 63 -4.133 14.905 0.669 1.00 0.00 O ATOM 1006 CB ILE A 63 -5.982 12.335 2.258 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -4.825 11.422 1.847 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -7.306 11.595 2.175 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -4.662 10.207 2.735 1.00 0.00 C ATOM 0 H ILE A 63 -5.343 12.825 -0.447 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.902 14.182 1.655 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.819 12.640 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.982 11.092 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.899 11.997 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.265 10.704 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.109 12.246 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.496 11.304 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.823 9.608 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.473 10.528 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.573 9.609 2.704 1.00 0.00 H new ATOM 1021 N GLN A 64 -4.411 14.591 2.880 1.00 0.00 N ATOM 1022 CA GLN A 64 -3.243 15.358 3.260 1.00 0.00 C ATOM 1023 C GLN A 64 -2.288 14.490 4.074 1.00 0.00 C ATOM 1024 O GLN A 64 -2.512 13.290 4.235 1.00 0.00 O ATOM 1025 CB GLN A 64 -3.690 16.579 4.055 1.00 0.00 C ATOM 1026 CG GLN A 64 -4.595 17.498 3.255 1.00 0.00 C ATOM 1027 CD GLN A 64 -5.377 18.458 4.124 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -4.923 18.866 5.191 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -6.562 18.827 3.669 1.00 0.00 N ATOM 0 H GLN A 64 -4.928 14.200 3.668 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.711 15.692 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.214 16.251 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.812 17.135 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.992 18.066 2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.291 16.896 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.902 18.465 2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.137 19.474 4.209 1.00 0.00 H new ATOM 1038 N LYS A 65 -1.224 15.093 4.587 1.00 0.00 N ATOM 1039 CA LYS A 65 -0.221 14.345 5.328 1.00 0.00 C ATOM 1040 C LYS A 65 -0.634 14.200 6.785 1.00 0.00 C ATOM 1041 O LYS A 65 -1.006 15.182 7.433 1.00 0.00 O ATOM 1042 CB LYS A 65 1.143 15.032 5.233 1.00 0.00 C ATOM 1043 CG LYS A 65 2.282 14.172 5.747 1.00 0.00 C ATOM 1044 CD LYS A 65 3.603 14.922 5.741 1.00 0.00 C ATOM 1045 CE LYS A 65 4.755 13.987 6.069 1.00 0.00 C ATOM 1046 NZ LYS A 65 6.049 14.703 6.222 1.00 0.00 N ATOM 0 H LYS A 65 -1.035 16.092 4.504 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.141 13.352 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.337 15.298 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.114 15.962 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.058 13.840 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.369 13.278 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.764 15.376 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.569 15.734 6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.531 13.450 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.848 13.241 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.800 14.019 6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.281 15.195 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.973 15.397 6.993 1.00 0.00 H new ATOM 1060 N GLY A 66 -0.573 12.980 7.294 1.00 0.00 N ATOM 1061 CA GLY A 66 -0.953 12.731 8.666 1.00 0.00 C ATOM 1062 C GLY A 66 -2.096 11.741 8.774 1.00 0.00 C ATOM 1063 O GLY A 66 -2.840 11.745 9.755 1.00 0.00 O ATOM 0 H GLY A 66 -0.266 12.155 6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.092 12.351 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.243 13.670 9.137 1.00 0.00 H new ATOM 1067 N ALA A 67 -2.236 10.894 7.763 1.00 0.00 N ATOM 1068 CA ALA A 67 -3.294 9.895 7.741 1.00 0.00 C ATOM 1069 C ALA A 67 -2.932 8.707 8.621 1.00 0.00 C ATOM 1070 O ALA A 67 -1.842 8.144 8.504 1.00 0.00 O ATOM 1071 CB ALA A 67 -3.567 9.442 6.315 1.00 0.00 C ATOM 0 H ALA A 67 -1.627 10.880 6.945 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.202 10.348 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.361 8.695 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.875 10.298 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.661 9.008 5.891 1.00 0.00 H new ATOM 1077 N SER A 68 -3.843 8.336 9.504 1.00 0.00 N ATOM 1078 CA SER A 68 -3.612 7.234 10.420 1.00 0.00 C ATOM 1079 C SER A 68 -4.181 5.929 9.868 1.00 0.00 C ATOM 1080 O SER A 68 -4.912 5.929 8.874 1.00 0.00 O ATOM 1081 CB SER A 68 -4.240 7.553 11.776 1.00 0.00 C ATOM 1082 OG SER A 68 -5.589 7.962 11.626 1.00 0.00 O ATOM 0 H SER A 68 -4.753 8.785 9.606 1.00 0.00 H new ATOM 0 HA SER A 68 -2.536 7.105 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.192 6.674 12.419 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.670 8.340 12.269 1.00 0.00 H new ATOM 0 HG SER A 68 -5.971 8.159 12.507 1.00 0.00 H new ATOM 1088 N ASP A 69 -3.837 4.826 10.523 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.323 3.497 10.148 1.00 0.00 C ATOM 1090 C ASP A 69 -5.850 3.458 10.077 1.00 0.00 C ATOM 1091 O ASP A 69 -6.424 2.987 9.090 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.793 2.466 11.154 1.00 0.00 C ATOM 1093 CG ASP A 69 -4.673 1.238 11.286 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -4.673 0.400 10.366 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -5.357 1.101 12.331 1.00 0.00 O ATOM 0 H ASP A 69 -3.213 4.825 11.330 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.953 3.254 9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.793 2.155 10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.697 2.940 12.131 1.00 0.00 H new ATOM 1100 N GLU A 70 -6.498 3.970 11.119 1.00 0.00 N ATOM 1101 CA GLU A 70 -7.954 4.002 11.183 1.00 0.00 C ATOM 1102 C GLU A 70 -8.524 4.810 10.019 1.00 0.00 C ATOM 1103 O GLU A 70 -9.502 4.406 9.390 1.00 0.00 O ATOM 1104 CB GLU A 70 -8.409 4.608 12.513 1.00 0.00 C ATOM 1105 CG GLU A 70 -9.738 4.063 13.011 1.00 0.00 C ATOM 1106 CD GLU A 70 -9.647 2.606 13.414 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -9.865 1.728 12.555 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -9.356 2.332 14.598 1.00 0.00 O ATOM 0 H GLU A 70 -6.034 4.370 11.934 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.326 2.980 11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.645 4.422 13.267 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.489 5.689 12.401 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.074 4.653 13.864 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.490 4.175 12.230 1.00 0.00 H new ATOM 1115 N GLU A 71 -7.890 5.942 9.734 1.00 0.00 N ATOM 1116 CA GLU A 71 -8.311 6.814 8.638 1.00 0.00 C ATOM 1117 C GLU A 71 -8.247 6.082 7.298 1.00 0.00 C ATOM 1118 O GLU A 71 -9.153 6.197 6.473 1.00 0.00 O ATOM 1119 CB GLU A 71 -7.428 8.065 8.594 1.00 0.00 C ATOM 1120 CG GLU A 71 -7.772 9.031 7.465 1.00 0.00 C ATOM 1121 CD GLU A 71 -9.083 9.761 7.678 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -10.134 9.100 7.796 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -9.066 11.012 7.706 1.00 0.00 O ATOM 0 H GLU A 71 -7.077 6.281 10.249 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.345 7.109 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.513 8.590 9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.387 7.758 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.970 9.762 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.820 8.479 6.526 1.00 0.00 H new ATOM 1130 N VAL A 72 -7.177 5.327 7.087 1.00 0.00 N ATOM 1131 CA VAL A 72 -7.007 4.584 5.846 1.00 0.00 C ATOM 1132 C VAL A 72 -8.140 3.574 5.665 1.00 0.00 C ATOM 1133 O VAL A 72 -8.746 3.506 4.598 1.00 0.00 O ATOM 1134 CB VAL A 72 -5.641 3.862 5.792 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -5.493 3.083 4.494 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -4.505 4.859 5.939 1.00 0.00 C ATOM 0 H VAL A 72 -6.416 5.213 7.757 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.037 5.306 5.030 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.597 3.158 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.524 2.583 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.286 2.339 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.562 3.768 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.551 4.333 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.552 5.587 5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.595 5.374 6.895 1.00 0.00 H new ATOM 1146 N LYS A 73 -8.440 2.813 6.716 1.00 0.00 N ATOM 1147 CA LYS A 73 -9.546 1.862 6.686 1.00 0.00 C ATOM 1148 C LYS A 73 -10.867 2.576 6.419 1.00 0.00 C ATOM 1149 O LYS A 73 -11.706 2.093 5.657 1.00 0.00 O ATOM 1150 CB LYS A 73 -9.618 1.103 8.009 1.00 0.00 C ATOM 1151 CG LYS A 73 -8.652 -0.068 8.106 1.00 0.00 C ATOM 1152 CD LYS A 73 -8.538 -0.573 9.537 1.00 0.00 C ATOM 1153 CE LYS A 73 -7.842 0.452 10.408 1.00 0.00 C ATOM 1154 NZ LYS A 73 -7.824 0.072 11.842 1.00 0.00 N ATOM 0 H LYS A 73 -7.931 2.838 7.599 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.370 1.154 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.415 1.796 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.634 0.735 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.991 -0.877 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.669 0.237 7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.531 -0.783 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.983 -1.511 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.818 0.583 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.342 1.414 10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.983 0.480 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.681 0.434 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.795 -0.964 11.926 1.00 0.00 H new ATOM 1168 N LYS A 74 -11.031 3.733 7.051 1.00 0.00 N ATOM 1169 CA LYS A 74 -12.213 4.565 6.865 1.00 0.00 C ATOM 1170 C LYS A 74 -12.384 4.897 5.383 1.00 0.00 C ATOM 1171 O LYS A 74 -13.471 4.766 4.819 1.00 0.00 O ATOM 1172 CB LYS A 74 -12.052 5.856 7.691 1.00 0.00 C ATOM 1173 CG LYS A 74 -13.344 6.613 8.004 1.00 0.00 C ATOM 1174 CD LYS A 74 -13.982 7.253 6.776 1.00 0.00 C ATOM 1175 CE LYS A 74 -13.031 8.191 6.042 1.00 0.00 C ATOM 1176 NZ LYS A 74 -12.567 9.325 6.883 1.00 0.00 N ATOM 0 H LYS A 74 -10.350 4.119 7.705 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.101 4.030 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.564 5.604 8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.381 6.527 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.058 5.926 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.133 7.388 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.313 6.470 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.870 7.807 7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.166 7.625 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.529 8.584 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.233 10.097 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.354 9.665 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.789 9.007 7.495 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.288 5.305 4.758 1.00 0.00 N ATOM 1191 CA LYS A 75 -11.316 5.752 3.373 1.00 0.00 C ATOM 1192 C LYS A 75 -11.322 4.581 2.390 1.00 0.00 C ATOM 1193 O LYS A 75 -11.762 4.725 1.247 1.00 0.00 O ATOM 1194 CB LYS A 75 -10.135 6.682 3.103 1.00 0.00 C ATOM 1195 CG LYS A 75 -10.148 7.918 3.990 1.00 0.00 C ATOM 1196 CD LYS A 75 -9.384 9.067 3.367 1.00 0.00 C ATOM 1197 CE LYS A 75 -10.098 9.603 2.135 1.00 0.00 C ATOM 1198 NZ LYS A 75 -11.457 10.121 2.451 1.00 0.00 N ATOM 0 H LYS A 75 -10.365 5.335 5.191 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.246 6.299 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.205 6.136 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.151 6.990 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.178 8.223 4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.712 7.674 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.266 9.867 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.383 8.735 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.502 10.400 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.177 8.811 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.732 10.829 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.139 9.336 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.450 10.561 3.394 1.00 0.00 H new ATOM 1212 N LEU A 76 -10.836 3.425 2.828 1.00 0.00 N ATOM 1213 CA LEU A 76 -10.916 2.218 2.021 1.00 0.00 C ATOM 1214 C LEU A 76 -12.369 1.803 1.855 1.00 0.00 C ATOM 1215 O LEU A 76 -12.767 1.283 0.812 1.00 0.00 O ATOM 1216 CB LEU A 76 -10.120 1.081 2.666 1.00 0.00 C ATOM 1217 CG LEU A 76 -8.600 1.228 2.605 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -7.922 0.060 3.311 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -8.131 1.324 1.160 1.00 0.00 C ATOM 0 H LEU A 76 -10.385 3.300 3.734 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.486 2.428 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.418 0.999 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.397 0.145 2.181 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.322 2.148 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.840 0.181 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.233 0.036 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.207 -0.873 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.046 1.428 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.421 0.421 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.590 2.192 0.686 1.00 0.00 H new ATOM 1231 N GLU A 77 -13.153 2.063 2.895 1.00 0.00 N ATOM 1232 CA GLU A 77 -14.579 1.785 2.882 1.00 0.00 C ATOM 1233 C GLU A 77 -15.264 2.673 1.842 1.00 0.00 C ATOM 1234 O GLU A 77 -16.113 2.213 1.082 1.00 0.00 O ATOM 1235 CB GLU A 77 -15.152 2.026 4.286 1.00 0.00 C ATOM 1236 CG GLU A 77 -16.460 1.300 4.586 1.00 0.00 C ATOM 1237 CD GLU A 77 -17.660 1.896 3.882 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -18.017 3.057 4.182 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -18.273 1.193 3.050 1.00 0.00 O ATOM 0 H GLU A 77 -12.817 2.471 3.767 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.759 0.745 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.408 1.721 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.310 3.096 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.361 0.255 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.636 1.315 5.662 1.00 0.00 H new ATOM 1246 N GLU A 78 -14.863 3.943 1.797 1.00 0.00 N ATOM 1247 CA GLU A 78 -15.392 4.886 0.813 1.00 0.00 C ATOM 1248 C GLU A 78 -15.057 4.430 -0.603 1.00 0.00 C ATOM 1249 O GLU A 78 -15.899 4.469 -1.502 1.00 0.00 O ATOM 1250 CB GLU A 78 -14.800 6.278 1.031 1.00 0.00 C ATOM 1251 CG GLU A 78 -15.051 6.858 2.409 1.00 0.00 C ATOM 1252 CD GLU A 78 -14.406 8.216 2.571 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -13.238 8.272 3.002 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -15.052 9.229 2.242 1.00 0.00 O ATOM 0 H GLU A 78 -14.172 4.343 2.432 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.474 4.923 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.724 6.233 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.213 6.956 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.124 6.943 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.662 6.178 3.166 1.00 0.00 H new ATOM 1261 N SER A 79 -13.819 3.996 -0.785 1.00 0.00 N ATOM 1262 CA SER A 79 -13.316 3.608 -2.089 1.00 0.00 C ATOM 1263 C SER A 79 -13.829 2.229 -2.507 1.00 0.00 C ATOM 1264 O SER A 79 -13.768 1.873 -3.685 1.00 0.00 O ATOM 1265 CB SER A 79 -11.789 3.605 -2.054 1.00 0.00 C ATOM 1266 OG SER A 79 -11.287 4.821 -1.521 1.00 0.00 O ATOM 0 H SER A 79 -13.137 3.904 -0.032 1.00 0.00 H new ATOM 0 HA SER A 79 -13.676 4.328 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.438 2.768 -1.451 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.399 3.458 -3.061 1.00 0.00 H new ATOM 0 HG SER A 79 -11.431 4.838 -0.552 1.00 0.00 H new ATOM 1272 N ASN A 80 -14.318 1.459 -1.530 1.00 0.00 N ATOM 1273 CA ASN A 80 -14.773 0.082 -1.760 1.00 0.00 C ATOM 1274 C ASN A 80 -13.602 -0.794 -2.201 1.00 0.00 C ATOM 1275 O ASN A 80 -13.785 -1.856 -2.803 1.00 0.00 O ATOM 1276 CB ASN A 80 -15.895 0.039 -2.805 1.00 0.00 C ATOM 1277 CG ASN A 80 -17.188 0.670 -2.317 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -17.506 0.494 -1.044 1.00 0.00 O flip ATOM 1279 ND2 ASN A 80 -17.913 1.298 -3.090 1.00 0.00 N flip ATOM 0 H ASN A 80 -14.410 1.769 -0.563 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.171 -0.306 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.564 0.554 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.086 -0.998 -3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.638 1.415 -4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.788 1.701 -2.755 1.00 0.00 H new ATOM 1286 N LEU A 81 -12.399 -0.357 -1.850 1.00 0.00 N ATOM 1287 CA LEU A 81 -11.177 -1.030 -2.265 1.00 0.00 C ATOM 1288 C LEU A 81 -10.756 -2.055 -1.215 1.00 0.00 C ATOM 1289 O LEU A 81 -9.750 -2.750 -1.371 1.00 0.00 O ATOM 1290 CB LEU A 81 -10.064 0.004 -2.474 1.00 0.00 C ATOM 1291 CG LEU A 81 -8.781 -0.525 -3.122 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -9.049 -0.981 -4.548 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -7.698 0.541 -3.101 1.00 0.00 C ATOM 0 H LEU A 81 -12.244 0.470 -1.273 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.359 -1.552 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.455 0.812 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.809 0.437 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.435 -1.384 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.125 -1.353 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.794 -1.776 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.420 -0.141 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.793 0.149 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.039 1.417 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.484 0.822 -2.070 1.00 0.00 H new ATOM 1305 N THR A 82 -11.548 -2.147 -0.152 1.00 0.00 N ATOM 1306 CA THR A 82 -11.262 -3.031 0.970 1.00 0.00 C ATOM 1307 C THR A 82 -11.044 -4.476 0.516 1.00 0.00 C ATOM 1308 O THR A 82 -10.116 -5.144 0.971 1.00 0.00 O ATOM 1309 CB THR A 82 -12.413 -2.985 1.991 1.00 0.00 C ATOM 1310 OG1 THR A 82 -12.787 -1.623 2.226 1.00 0.00 O ATOM 1311 CG2 THR A 82 -12.009 -3.637 3.306 1.00 0.00 C ATOM 0 H THR A 82 -12.408 -1.609 -0.045 1.00 0.00 H new ATOM 0 HA THR A 82 -10.341 -2.678 1.434 1.00 0.00 H new ATOM 0 HB THR A 82 -13.258 -3.539 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.521 -1.593 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.842 -3.589 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.743 -4.679 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.152 -3.110 3.725 1.00 0.00 H new ATOM 1319 N GLU A 83 -11.886 -4.946 -0.401 1.00 0.00 N ATOM 1320 CA GLU A 83 -11.796 -6.311 -0.889 1.00 0.00 C ATOM 1321 C GLU A 83 -10.490 -6.550 -1.641 1.00 0.00 C ATOM 1322 O GLU A 83 -9.851 -7.582 -1.468 1.00 0.00 O ATOM 1323 CB GLU A 83 -12.983 -6.618 -1.799 1.00 0.00 C ATOM 1324 CG GLU A 83 -14.320 -6.657 -1.079 1.00 0.00 C ATOM 1325 CD GLU A 83 -15.457 -7.054 -1.997 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -15.921 -6.198 -2.781 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -15.893 -8.224 -1.942 1.00 0.00 O ATOM 0 H GLU A 83 -12.638 -4.397 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.815 -6.978 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.028 -5.866 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.816 -7.579 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.263 -7.362 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.528 -5.677 -0.650 1.00 0.00 H new ATOM 1334 N TYR A 84 -10.081 -5.581 -2.452 1.00 0.00 N ATOM 1335 CA TYR A 84 -8.909 -5.743 -3.307 1.00 0.00 C ATOM 1336 C TYR A 84 -7.624 -5.651 -2.487 1.00 0.00 C ATOM 1337 O TYR A 84 -6.621 -6.287 -2.809 1.00 0.00 O ATOM 1338 CB TYR A 84 -8.916 -4.687 -4.417 1.00 0.00 C ATOM 1339 CG TYR A 84 -7.979 -4.995 -5.568 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -8.343 -5.909 -6.551 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -6.739 -4.375 -5.677 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -7.500 -6.196 -7.608 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -5.893 -4.657 -6.733 1.00 0.00 C ATOM 1344 CZ TYR A 84 -6.278 -5.567 -7.696 1.00 0.00 C ATOM 1345 OH TYR A 84 -5.441 -5.850 -8.754 1.00 0.00 O ATOM 0 H TYR A 84 -10.543 -4.675 -2.536 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.948 -6.732 -3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.930 -4.589 -4.804 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.643 -3.723 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.301 -6.403 -6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.433 -3.663 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.798 -6.910 -8.361 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.933 -4.167 -6.804 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.619 -5.323 -8.671 1.00 0.00 H new ATOM 1355 N MET A 85 -7.666 -4.863 -1.420 1.00 0.00 N ATOM 1356 CA MET A 85 -6.511 -4.698 -0.545 1.00 0.00 C ATOM 1357 C MET A 85 -6.373 -5.917 0.370 1.00 0.00 C ATOM 1358 O MET A 85 -5.266 -6.386 0.644 1.00 0.00 O ATOM 1359 CB MET A 85 -6.662 -3.418 0.288 1.00 0.00 C ATOM 1360 CG MET A 85 -5.346 -2.732 0.640 1.00 0.00 C ATOM 1361 SD MET A 85 -4.280 -3.715 1.718 1.00 0.00 S ATOM 1362 CE MET A 85 -2.885 -2.610 1.908 1.00 0.00 C ATOM 0 H MET A 85 -8.488 -4.328 -1.139 1.00 0.00 H new ATOM 0 HA MET A 85 -5.611 -4.613 -1.153 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.288 -2.715 -0.261 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.189 -3.661 1.211 1.00 0.00 H new ATOM 0 HG2 MET A 85 -4.807 -2.505 -0.280 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.561 -1.780 1.126 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.005 -3.050 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.110 -1.655 1.433 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.689 -2.451 2.968 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.511 -6.429 0.820 1.00 0.00 N ATOM 1373 CA LYS A 86 -7.547 -7.596 1.698 1.00 0.00 C ATOM 1374 C LYS A 86 -7.234 -8.873 0.918 1.00 0.00 C ATOM 1375 O LYS A 86 -6.658 -9.818 1.461 1.00 0.00 O ATOM 1376 CB LYS A 86 -8.921 -7.695 2.359 1.00 0.00 C ATOM 1377 CG LYS A 86 -9.071 -8.849 3.335 1.00 0.00 C ATOM 1378 CD LYS A 86 -10.407 -8.782 4.055 1.00 0.00 C ATOM 1379 CE LYS A 86 -11.575 -8.941 3.092 1.00 0.00 C ATOM 1380 NZ LYS A 86 -12.872 -8.610 3.735 1.00 0.00 N ATOM 0 H LYS A 86 -8.430 -6.052 0.590 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.786 -7.481 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.125 -6.762 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.678 -7.794 1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.989 -9.795 2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.260 -8.823 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.451 -9.564 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.492 -7.828 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.423 -8.295 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.604 -9.966 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.642 -8.731 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.030 -9.243 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.854 -7.624 4.065 1.00 0.00 H new ATOM 1394 N GLU A 87 -7.621 -8.893 -0.350 1.00 0.00 N ATOM 1395 CA GLU A 87 -7.352 -10.028 -1.224 1.00 0.00 C ATOM 1396 C GLU A 87 -5.892 -9.990 -1.673 1.00 0.00 C ATOM 1397 O GLU A 87 -5.125 -9.139 -1.217 1.00 0.00 O ATOM 1398 CB GLU A 87 -8.297 -9.986 -2.437 1.00 0.00 C ATOM 1399 CG GLU A 87 -8.985 -11.310 -2.749 1.00 0.00 C ATOM 1400 CD GLU A 87 -8.085 -12.291 -3.470 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -7.290 -12.980 -2.802 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -8.163 -12.365 -4.716 1.00 0.00 O ATOM 0 H GLU A 87 -8.126 -8.130 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.527 -10.958 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.060 -9.227 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.730 -9.671 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.332 -11.760 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.867 -11.119 -3.360 1.00 0.00 H new ATOM 1409 N LYS A 88 -5.517 -10.917 -2.550 1.00 0.00 N ATOM 1410 CA LYS A 88 -4.161 -11.005 -3.080 1.00 0.00 C ATOM 1411 C LYS A 88 -3.221 -11.525 -1.991 1.00 0.00 C ATOM 1412 O LYS A 88 -3.671 -11.938 -0.921 1.00 0.00 O ATOM 1413 CB LYS A 88 -3.689 -9.635 -3.594 1.00 0.00 C ATOM 1414 CG LYS A 88 -2.793 -9.690 -4.821 1.00 0.00 C ATOM 1415 CD LYS A 88 -3.594 -10.008 -6.072 1.00 0.00 C ATOM 1416 CE LYS A 88 -2.732 -9.953 -7.322 1.00 0.00 C ATOM 1417 NZ LYS A 88 -3.522 -10.216 -8.553 1.00 0.00 N ATOM 0 H LYS A 88 -6.148 -11.631 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.152 -11.699 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.564 -9.029 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.153 -9.126 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.283 -8.735 -4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.022 -10.447 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.036 -11.000 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.417 -9.300 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.261 -8.973 -7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.930 -10.686 -7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.897 -10.169 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.951 -11.162 -8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.272 -9.501 -8.644 1.00 0.00 H new