USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.0088) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -1.89 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 65:sc= 1.01 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.5) USER MOD Single : A 61 SER OG : rot 29:sc= 0.66 USER MOD Single : A 67 TYR OH : rot 92:sc= 0.00631 USER MOD Single : A 70 CYS SG : rot 180:sc=-0.00408 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.725 K(o=-0.72,f=-2.3!) USER MOD Single : A 79 SER OG : rot -29:sc= 0.486 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -165:sc=-0.00568 (180deg=-0.0719) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 5.039 -10.280 4.320 1.00 0.00 N ATOM 109 CA MET A 11 5.729 -9.540 3.269 1.00 0.00 C ATOM 110 C MET A 11 6.304 -8.233 3.810 1.00 0.00 C ATOM 111 O MET A 11 7.320 -7.742 3.319 1.00 0.00 O ATOM 112 CB MET A 11 4.773 -9.253 2.108 1.00 0.00 C ATOM 113 CG MET A 11 5.268 -9.777 0.770 1.00 0.00 C ATOM 114 SD MET A 11 3.940 -10.453 -0.246 1.00 0.00 S ATOM 115 CE MET A 11 3.284 -8.958 -0.983 1.00 0.00 C ATOM 0 HA MET A 11 6.554 -10.154 2.907 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.803 -9.700 2.328 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.619 -8.177 2.033 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.760 -8.970 0.228 1.00 0.00 H new ATOM 0 HG3 MET A 11 6.018 -10.549 0.942 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.453 -9.211 -1.641 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.934 -8.288 -0.197 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.066 -8.463 -1.560 1.00 0.00 H new ATOM 125 N LEU A 12 5.648 -7.677 4.823 1.00 0.00 N ATOM 126 CA LEU A 12 6.095 -6.427 5.430 1.00 0.00 C ATOM 127 C LEU A 12 7.513 -6.561 5.976 1.00 0.00 C ATOM 128 O LEU A 12 8.392 -5.765 5.650 1.00 0.00 O ATOM 129 CB LEU A 12 5.140 -6.011 6.550 1.00 0.00 C ATOM 130 CG LEU A 12 3.940 -5.176 6.101 1.00 0.00 C ATOM 131 CD1 LEU A 12 2.708 -5.526 6.921 1.00 0.00 C ATOM 132 CD2 LEU A 12 4.253 -3.692 6.211 1.00 0.00 C ATOM 0 H LEU A 12 4.805 -8.071 5.241 1.00 0.00 H new ATOM 0 HA LEU A 12 6.096 -5.657 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.773 -6.909 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.701 -5.443 7.293 1.00 0.00 H new ATOM 0 HG LEU A 12 3.732 -5.407 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.865 -4.922 6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.472 -6.582 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.903 -5.326 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.388 -3.113 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.488 -3.446 7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.107 -3.452 5.578 1.00 0.00 H new ATOM 144 N SER A 13 7.726 -7.575 6.810 1.00 0.00 N ATOM 145 CA SER A 13 9.038 -7.813 7.401 1.00 0.00 C ATOM 146 C SER A 13 10.082 -8.072 6.321 1.00 0.00 C ATOM 147 O SER A 13 11.247 -7.702 6.468 1.00 0.00 O ATOM 148 CB SER A 13 8.977 -8.999 8.364 1.00 0.00 C ATOM 149 OG SER A 13 8.789 -10.217 7.663 1.00 0.00 O ATOM 0 H SER A 13 7.008 -8.243 7.091 1.00 0.00 H new ATOM 0 HA SER A 13 9.329 -6.920 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.899 -9.048 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.162 -8.854 9.073 1.00 0.00 H new ATOM 0 HG SER A 13 8.755 -10.960 8.301 1.00 0.00 H new ATOM 155 N ALA A 14 9.658 -8.710 5.235 1.00 0.00 N ATOM 156 CA ALA A 14 10.557 -9.019 4.130 1.00 0.00 C ATOM 157 C ALA A 14 10.997 -7.748 3.409 1.00 0.00 C ATOM 158 O ALA A 14 12.191 -7.501 3.239 1.00 0.00 O ATOM 159 CB ALA A 14 9.885 -9.974 3.154 1.00 0.00 C ATOM 0 H ALA A 14 8.697 -9.023 5.097 1.00 0.00 H new ATOM 0 HA ALA A 14 11.445 -9.500 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.568 -10.196 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.625 -10.898 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.980 -9.513 2.758 1.00 0.00 H new ATOM 165 N LEU A 15 10.024 -6.946 2.989 1.00 0.00 N ATOM 166 CA LEU A 15 10.311 -5.700 2.288 1.00 0.00 C ATOM 167 C LEU A 15 11.048 -4.721 3.196 1.00 0.00 C ATOM 168 O LEU A 15 12.092 -4.182 2.827 1.00 0.00 O ATOM 169 CB LEU A 15 9.015 -5.066 1.780 1.00 0.00 C ATOM 170 CG LEU A 15 8.171 -5.957 0.867 1.00 0.00 C ATOM 171 CD1 LEU A 15 6.736 -5.459 0.812 1.00 0.00 C ATOM 172 CD2 LEU A 15 8.774 -6.010 -0.528 1.00 0.00 C ATOM 0 H LEU A 15 9.031 -7.137 3.122 1.00 0.00 H new ATOM 0 HA LEU A 15 10.952 -5.931 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.410 -4.776 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.263 -4.152 1.241 1.00 0.00 H new ATOM 0 HG LEU A 15 8.166 -6.966 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.151 -6.106 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.307 -5.474 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.719 -4.440 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.162 -6.648 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.809 -5.005 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.784 -6.415 -0.473 1.00 0.00 H new ATOM 184 N GLY A 16 10.498 -4.496 4.385 1.00 0.00 N ATOM 185 CA GLY A 16 11.117 -3.582 5.327 1.00 0.00 C ATOM 186 C GLY A 16 10.270 -2.351 5.583 1.00 0.00 C ATOM 187 O GLY A 16 10.784 -1.233 5.619 1.00 0.00 O ATOM 0 H GLY A 16 9.635 -4.930 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.293 -4.101 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.091 -3.276 4.945 1.00 0.00 H new ATOM 191 N LEU A 17 8.970 -2.556 5.760 1.00 0.00 N ATOM 192 CA LEU A 17 8.049 -1.454 6.012 1.00 0.00 C ATOM 193 C LEU A 17 7.013 -1.841 7.062 1.00 0.00 C ATOM 194 O LEU A 17 6.819 -3.022 7.351 1.00 0.00 O ATOM 195 CB LEU A 17 7.350 -1.037 4.717 1.00 0.00 C ATOM 196 CG LEU A 17 6.895 0.423 4.667 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.078 1.357 4.874 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.205 0.719 3.345 1.00 0.00 C ATOM 0 H LEU A 17 8.530 -3.476 5.734 1.00 0.00 H new ATOM 0 HA LEU A 17 8.627 -0.611 6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.027 -1.219 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.481 -1.678 4.569 1.00 0.00 H new ATOM 0 HG LEU A 17 6.181 0.590 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.736 2.391 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.531 1.161 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.816 1.189 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.888 1.762 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.898 0.535 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.334 0.073 3.236 1.00 0.00 H new ATOM 210 N ARG A 18 6.349 -0.839 7.630 1.00 0.00 N ATOM 211 CA ARG A 18 5.331 -1.076 8.648 1.00 0.00 C ATOM 212 C ARG A 18 4.008 -0.427 8.259 1.00 0.00 C ATOM 213 O ARG A 18 3.967 0.471 7.418 1.00 0.00 O ATOM 214 CB ARG A 18 5.799 -0.534 10.000 1.00 0.00 C ATOM 215 CG ARG A 18 7.088 -1.169 10.498 1.00 0.00 C ATOM 216 CD ARG A 18 8.099 -0.118 10.929 1.00 0.00 C ATOM 217 NE ARG A 18 9.330 -0.718 11.437 1.00 0.00 N ATOM 218 CZ ARG A 18 10.316 -0.024 12.000 1.00 0.00 C ATOM 219 NH1 ARG A 18 10.220 1.293 12.128 1.00 0.00 N ATOM 220 NH2 ARG A 18 11.401 -0.649 12.436 1.00 0.00 N ATOM 0 H ARG A 18 6.497 0.144 7.403 1.00 0.00 H new ATOM 0 HA ARG A 18 5.176 -2.152 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.942 0.544 9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.014 -0.697 10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.869 -1.829 11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.518 -1.787 9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.333 0.528 10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.659 0.514 11.700 1.00 0.00 H new ATOM 0 HE ARG A 18 9.440 -1.729 11.355 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.387 1.779 11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.979 1.820 12.560 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.480 -1.661 12.340 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.157 -0.117 12.868 1.00 0.00 H new ATOM 234 N LEU A 19 2.924 -0.891 8.875 1.00 0.00 N ATOM 235 CA LEU A 19 1.597 -0.357 8.595 1.00 0.00 C ATOM 236 C LEU A 19 1.495 1.102 9.029 1.00 0.00 C ATOM 237 O LEU A 19 1.940 1.469 10.115 1.00 0.00 O ATOM 238 CB LEU A 19 0.529 -1.189 9.306 1.00 0.00 C ATOM 239 CG LEU A 19 0.354 -2.611 8.771 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.568 -3.413 9.677 1.00 0.00 C ATOM 241 CD2 LEU A 19 -0.187 -2.582 7.349 1.00 0.00 C ATOM 0 H LEU A 19 2.940 -1.636 9.571 1.00 0.00 H new ATOM 0 HA LEU A 19 1.431 -0.409 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.779 -1.244 10.366 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.426 -0.668 9.230 1.00 0.00 H new ATOM 0 HG LEU A 19 1.330 -3.097 8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.681 -4.422 9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.141 -3.462 10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.544 -2.930 9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.305 -3.602 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.153 -2.078 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.510 -2.045 6.705 1.00 0.00 H new ATOM 253 N GLY A 20 0.904 1.928 8.171 1.00 0.00 N ATOM 254 CA GLY A 20 0.754 3.337 8.484 1.00 0.00 C ATOM 255 C GLY A 20 1.898 4.179 7.954 1.00 0.00 C ATOM 256 O GLY A 20 2.122 5.295 8.420 1.00 0.00 O ATOM 0 H GLY A 20 0.527 1.647 7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.184 3.700 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.688 3.460 9.565 1.00 0.00 H new ATOM 260 N ASP A 21 2.626 3.644 6.976 1.00 0.00 N ATOM 261 CA ASP A 21 3.752 4.358 6.385 1.00 0.00 C ATOM 262 C ASP A 21 3.418 4.819 4.971 1.00 0.00 C ATOM 263 O ASP A 21 2.523 4.275 4.324 1.00 0.00 O ATOM 264 CB ASP A 21 4.994 3.465 6.364 1.00 0.00 C ATOM 265 CG ASP A 21 6.281 4.262 6.455 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.260 5.462 6.110 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.307 3.686 6.870 1.00 0.00 O ATOM 0 H ASP A 21 2.456 2.721 6.578 1.00 0.00 H new ATOM 0 HA ASP A 21 3.957 5.237 6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.946 2.761 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.999 2.876 5.447 1.00 0.00 H new ATOM 272 N ARG A 22 4.144 5.825 4.495 1.00 0.00 N ATOM 273 CA ARG A 22 3.924 6.359 3.156 1.00 0.00 C ATOM 274 C ARG A 22 4.692 5.551 2.114 1.00 0.00 C ATOM 275 O ARG A 22 5.764 5.016 2.397 1.00 0.00 O ATOM 276 CB ARG A 22 4.345 7.830 3.095 1.00 0.00 C ATOM 277 CG ARG A 22 3.247 8.756 2.595 1.00 0.00 C ATOM 278 CD ARG A 22 3.818 10.052 2.046 1.00 0.00 C ATOM 279 NE ARG A 22 2.937 11.189 2.302 1.00 0.00 N ATOM 280 CZ ARG A 22 2.853 11.811 3.477 1.00 0.00 C ATOM 281 NH1 ARG A 22 3.593 11.411 4.503 1.00 0.00 N ATOM 282 NH2 ARG A 22 2.025 12.836 3.625 1.00 0.00 N ATOM 0 H ARG A 22 4.889 6.287 5.016 1.00 0.00 H new ATOM 0 HA ARG A 22 2.860 6.285 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.656 8.152 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.213 7.924 2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.671 8.253 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.557 8.977 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.792 10.239 2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.978 9.952 0.973 1.00 0.00 H new ATOM 0 HE ARG A 22 2.353 11.526 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.231 10.623 4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.524 11.892 5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.453 13.147 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.960 13.313 4.524 1.00 0.00 H new ATOM 296 N VAL A 23 4.137 5.466 0.911 1.00 0.00 N ATOM 297 CA VAL A 23 4.769 4.723 -0.172 1.00 0.00 C ATOM 298 C VAL A 23 4.672 5.484 -1.490 1.00 0.00 C ATOM 299 O VAL A 23 3.822 6.360 -1.652 1.00 0.00 O ATOM 300 CB VAL A 23 4.132 3.333 -0.347 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.390 2.468 0.876 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.639 3.461 -0.614 1.00 0.00 C ATOM 0 H VAL A 23 3.250 5.903 0.661 1.00 0.00 H new ATOM 0 HA VAL A 23 5.818 4.601 0.098 1.00 0.00 H new ATOM 0 HB VAL A 23 4.592 2.848 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.932 1.489 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.464 2.348 1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.959 2.945 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.205 2.469 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.161 3.966 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.480 4.040 -1.524 1.00 0.00 H new ATOM 312 N LEU A 24 5.547 5.142 -2.431 1.00 0.00 N ATOM 313 CA LEU A 24 5.559 5.792 -3.736 1.00 0.00 C ATOM 314 C LEU A 24 4.891 4.913 -4.787 1.00 0.00 C ATOM 315 O LEU A 24 5.349 3.805 -5.067 1.00 0.00 O ATOM 316 CB LEU A 24 6.995 6.110 -4.157 1.00 0.00 C ATOM 317 CG LEU A 24 7.169 7.416 -4.934 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.789 8.608 -4.069 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.600 7.551 -5.433 1.00 0.00 C ATOM 0 H LEU A 24 6.256 4.419 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 24 4.997 6.722 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.618 6.151 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.368 5.289 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 24 6.504 7.395 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.919 9.528 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.747 8.517 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.427 8.635 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.707 8.486 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.283 7.550 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.837 6.714 -6.090 1.00 0.00 H new ATOM 331 N LEU A 25 3.804 5.412 -5.366 1.00 0.00 N ATOM 332 CA LEU A 25 3.072 4.670 -6.386 1.00 0.00 C ATOM 333 C LEU A 25 3.496 5.105 -7.785 1.00 0.00 C ATOM 334 O LEU A 25 3.226 6.230 -8.206 1.00 0.00 O ATOM 335 CB LEU A 25 1.566 4.874 -6.212 1.00 0.00 C ATOM 336 CG LEU A 25 1.006 4.446 -4.855 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.481 4.752 -4.769 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.262 2.966 -4.618 1.00 0.00 C ATOM 0 H LEU A 25 3.411 6.327 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 25 3.305 3.612 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.338 5.929 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.047 4.319 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 25 1.517 5.013 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.861 4.440 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.640 5.823 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.010 4.212 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.857 2.678 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.778 2.383 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.335 2.775 -4.635 1.00 0.00 H new ATOM 350 N ASP A 26 4.164 4.206 -8.501 1.00 0.00 N ATOM 351 CA ASP A 26 4.626 4.496 -9.854 1.00 0.00 C ATOM 352 C ASP A 26 5.572 5.693 -9.864 1.00 0.00 C ATOM 353 O ASP A 26 5.661 6.418 -10.855 1.00 0.00 O ATOM 354 CB ASP A 26 3.435 4.765 -10.775 1.00 0.00 C ATOM 355 CG ASP A 26 3.813 4.706 -12.242 1.00 0.00 C ATOM 356 OD1 ASP A 26 4.420 3.695 -12.658 1.00 0.00 O ATOM 357 OD2 ASP A 26 3.502 5.667 -12.975 1.00 0.00 O ATOM 0 H ASP A 26 4.397 3.271 -8.167 1.00 0.00 H new ATOM 0 HA ASP A 26 5.170 3.625 -10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.652 4.034 -10.575 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.019 5.747 -10.549 1.00 0.00 H new ATOM 362 N GLY A 27 6.278 5.894 -8.755 1.00 0.00 N ATOM 363 CA GLY A 27 7.208 7.005 -8.658 1.00 0.00 C ATOM 364 C GLY A 27 6.540 8.346 -8.896 1.00 0.00 C ATOM 365 O GLY A 27 7.010 9.145 -9.706 1.00 0.00 O ATOM 0 H GLY A 27 6.223 5.308 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.669 7.003 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.009 6.868 -9.384 1.00 0.00 H new ATOM 369 N GLN A 28 5.442 8.593 -8.189 1.00 0.00 N ATOM 370 CA GLN A 28 4.711 9.847 -8.328 1.00 0.00 C ATOM 371 C GLN A 28 3.710 10.022 -7.189 1.00 0.00 C ATOM 372 O GLN A 28 3.922 10.827 -6.283 1.00 0.00 O ATOM 373 CB GLN A 28 3.983 9.890 -9.674 1.00 0.00 C ATOM 374 CG GLN A 28 4.766 10.600 -10.767 1.00 0.00 C ATOM 375 CD GLN A 28 3.902 11.532 -11.594 1.00 0.00 C ATOM 376 OE1 GLN A 28 3.833 11.411 -12.816 1.00 0.00 O ATOM 377 NE2 GLN A 28 3.238 12.469 -10.927 1.00 0.00 N ATOM 0 H GLN A 28 5.039 7.942 -7.515 1.00 0.00 H new ATOM 0 HA GLN A 28 5.430 10.665 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.770 8.870 -9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.023 10.390 -9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.578 11.169 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.223 9.858 -11.422 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.326 12.532 -9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.640 13.126 -11.429 1.00 0.00 H new ATOM 386 N LYS A 29 2.622 9.262 -7.243 1.00 0.00 N ATOM 387 CA LYS A 29 1.589 9.332 -6.216 1.00 0.00 C ATOM 388 C LYS A 29 2.109 8.807 -4.883 1.00 0.00 C ATOM 389 O LYS A 29 3.087 8.059 -4.837 1.00 0.00 O ATOM 390 CB LYS A 29 0.357 8.534 -6.647 1.00 0.00 C ATOM 391 CG LYS A 29 -0.563 9.296 -7.587 1.00 0.00 C ATOM 392 CD LYS A 29 -0.187 9.070 -9.042 1.00 0.00 C ATOM 393 CE LYS A 29 -0.215 10.368 -9.833 1.00 0.00 C ATOM 394 NZ LYS A 29 0.384 10.208 -11.186 1.00 0.00 N ATOM 0 H LYS A 29 2.432 8.590 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 29 1.310 10.378 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.682 7.615 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.205 8.242 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.593 8.981 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.516 10.361 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.809 8.630 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.877 8.355 -9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.245 10.711 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.327 11.139 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.345 11.116 -11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.375 9.905 -11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.149 9.491 -11.719 1.00 0.00 H new ATOM 408 N THR A 30 1.451 9.204 -3.798 1.00 0.00 N ATOM 409 CA THR A 30 1.847 8.773 -2.463 1.00 0.00 C ATOM 410 C THR A 30 0.646 8.250 -1.681 1.00 0.00 C ATOM 411 O THR A 30 -0.370 8.934 -1.554 1.00 0.00 O ATOM 412 CB THR A 30 2.500 9.930 -1.703 1.00 0.00 C ATOM 413 OG1 THR A 30 1.961 11.171 -2.120 1.00 0.00 O ATOM 414 CG2 THR A 30 4.001 9.996 -1.889 1.00 0.00 C ATOM 0 H THR A 30 0.641 9.824 -3.818 1.00 0.00 H new ATOM 0 HA THR A 30 2.569 7.963 -2.570 1.00 0.00 H new ATOM 0 HB THR A 30 2.288 9.741 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.390 11.898 -1.622 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.401 10.838 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.453 9.071 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.231 10.126 -2.946 1.00 0.00 H new ATOM 422 N GLY A 31 0.769 7.034 -1.159 1.00 0.00 N ATOM 423 CA GLY A 31 -0.313 6.441 -0.396 1.00 0.00 C ATOM 424 C GLY A 31 0.155 5.867 0.926 1.00 0.00 C ATOM 425 O GLY A 31 1.356 5.800 1.191 1.00 0.00 O ATOM 0 H GLY A 31 1.599 6.449 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.078 7.195 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.779 5.652 -0.986 1.00 0.00 H new ATOM 429 N THR A 32 -0.793 5.450 1.758 1.00 0.00 N ATOM 430 CA THR A 32 -0.471 4.879 3.061 1.00 0.00 C ATOM 431 C THR A 32 -0.719 3.374 3.070 1.00 0.00 C ATOM 432 O THR A 32 -1.858 2.922 2.946 1.00 0.00 O ATOM 433 CB THR A 32 -1.302 5.551 4.155 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.344 6.954 3.961 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.771 5.298 5.549 1.00 0.00 C ATOM 0 H THR A 32 -1.791 5.497 1.553 1.00 0.00 H new ATOM 0 HA THR A 32 0.586 5.057 3.257 1.00 0.00 H new ATOM 0 HB THR A 32 -2.296 5.110 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.881 7.366 4.669 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.406 5.802 6.277 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.770 4.227 5.749 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.246 5.683 5.626 1.00 0.00 H new ATOM 443 N LEU A 33 0.352 2.603 3.220 1.00 0.00 N ATOM 444 CA LEU A 33 0.251 1.149 3.247 1.00 0.00 C ATOM 445 C LEU A 33 -0.588 0.684 4.433 1.00 0.00 C ATOM 446 O LEU A 33 -0.148 0.752 5.580 1.00 0.00 O ATOM 447 CB LEU A 33 1.644 0.520 3.313 1.00 0.00 C ATOM 448 CG LEU A 33 1.721 -0.931 2.836 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.700 -0.996 1.316 1.00 0.00 C ATOM 450 CD2 LEU A 33 2.972 -1.604 3.382 1.00 0.00 C ATOM 0 H LEU A 33 1.301 2.961 3.325 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.241 0.827 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.326 1.121 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.999 0.568 4.342 1.00 0.00 H new ATOM 0 HG LEU A 33 0.849 -1.465 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.756 -2.036 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.777 -0.551 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.553 -0.447 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.012 -2.636 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.855 -1.069 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.947 -1.590 4.472 1.00 0.00 H new ATOM 462 N ARG A 34 -1.797 0.212 4.148 1.00 0.00 N ATOM 463 CA ARG A 34 -2.697 -0.265 5.191 1.00 0.00 C ATOM 464 C ARG A 34 -2.604 -1.780 5.339 1.00 0.00 C ATOM 465 O ARG A 34 -2.776 -2.319 6.432 1.00 0.00 O ATOM 466 CB ARG A 34 -4.137 0.140 4.875 1.00 0.00 C ATOM 467 CG ARG A 34 -4.343 1.644 4.796 1.00 0.00 C ATOM 468 CD ARG A 34 -5.156 2.161 5.973 1.00 0.00 C ATOM 469 NE ARG A 34 -4.387 2.154 7.215 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.850 2.610 8.376 1.00 0.00 C ATOM 471 NH1 ARG A 34 -6.078 3.108 8.460 1.00 0.00 N ATOM 472 NH2 ARG A 34 -4.085 2.566 9.458 1.00 0.00 N ATOM 0 H ARG A 34 -2.176 0.150 3.203 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.396 0.193 6.133 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.432 -0.309 3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.797 -0.269 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.375 2.144 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.851 1.894 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.494 3.175 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.048 1.546 6.095 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.439 1.777 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.672 3.142 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.427 3.456 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.142 2.183 9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.440 2.916 10.348 1.00 0.00 H new ATOM 486 N PHE A 35 -2.331 -2.462 4.231 1.00 0.00 N ATOM 487 CA PHE A 35 -2.215 -3.915 4.238 1.00 0.00 C ATOM 488 C PHE A 35 -1.030 -4.371 3.392 1.00 0.00 C ATOM 489 O PHE A 35 -0.513 -3.613 2.571 1.00 0.00 O ATOM 490 CB PHE A 35 -3.504 -4.551 3.714 1.00 0.00 C ATOM 491 CG PHE A 35 -3.513 -6.050 3.802 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.696 -6.686 5.019 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.338 -6.824 2.666 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.704 -8.065 5.103 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.344 -8.205 2.743 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.527 -8.826 3.963 1.00 0.00 C ATOM 0 H PHE A 35 -2.186 -2.031 3.318 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.049 -4.237 5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.349 -4.157 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.649 -4.255 2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.834 -6.096 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.195 -6.343 1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.848 -8.548 6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.206 -8.797 1.850 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.532 -9.904 4.026 1.00 0.00 H new ATOM 506 N CYS A 36 -0.606 -5.613 3.599 1.00 0.00 N ATOM 507 CA CYS A 36 0.519 -6.172 2.855 1.00 0.00 C ATOM 508 C CYS A 36 0.479 -7.696 2.871 1.00 0.00 C ATOM 509 O CYS A 36 0.351 -8.312 3.929 1.00 0.00 O ATOM 510 CB CYS A 36 1.842 -5.679 3.444 1.00 0.00 C ATOM 511 SG CYS A 36 3.265 -5.905 2.352 1.00 0.00 S ATOM 0 H CYS A 36 -1.024 -6.252 4.275 1.00 0.00 H new ATOM 0 HA CYS A 36 0.441 -5.836 1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.748 -4.620 3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.029 -6.205 4.380 1.00 0.00 H new ATOM 0 HG CYS A 36 4.336 -5.456 2.936 1.00 0.00 H new ATOM 517 N GLY A 37 0.588 -8.299 1.692 1.00 0.00 N ATOM 518 CA GLY A 37 0.563 -9.746 1.594 1.00 0.00 C ATOM 519 C GLY A 37 -0.210 -10.232 0.382 1.00 0.00 C ATOM 520 O GLY A 37 -0.008 -9.741 -0.728 1.00 0.00 O ATOM 0 H GLY A 37 0.693 -7.811 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.585 -10.121 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.115 -10.161 2.497 1.00 0.00 H new ATOM 524 N THR A 38 -1.097 -11.199 0.598 1.00 0.00 N ATOM 525 CA THR A 38 -1.902 -11.751 -0.484 1.00 0.00 C ATOM 526 C THR A 38 -3.334 -11.231 -0.416 1.00 0.00 C ATOM 527 O THR A 38 -3.715 -10.555 0.539 1.00 0.00 O ATOM 528 CB THR A 38 -1.899 -13.280 -0.422 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.638 -13.736 0.699 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.510 -13.872 -0.328 1.00 0.00 C ATOM 0 H THR A 38 -1.276 -11.615 1.512 1.00 0.00 H new ATOM 0 HA THR A 38 -1.463 -11.432 -1.429 1.00 0.00 H new ATOM 0 HB THR A 38 -2.353 -13.609 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.627 -14.716 0.722 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.580 -14.959 -0.288 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.071 -13.578 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.019 -13.506 0.574 1.00 0.00 H new ATOM 538 N THR A 39 -4.124 -11.550 -1.437 1.00 0.00 N ATOM 539 CA THR A 39 -5.514 -11.114 -1.493 1.00 0.00 C ATOM 540 C THR A 39 -6.426 -12.260 -1.922 1.00 0.00 C ATOM 541 O THR A 39 -5.956 -13.322 -2.330 1.00 0.00 O ATOM 542 CB THR A 39 -5.665 -9.938 -2.460 1.00 0.00 C ATOM 543 OG1 THR A 39 -4.754 -10.055 -3.538 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.432 -8.594 -1.805 1.00 0.00 C ATOM 0 H THR A 39 -3.825 -12.109 -2.236 1.00 0.00 H new ATOM 0 HA THR A 39 -5.808 -10.793 -0.494 1.00 0.00 H new ATOM 0 HB THR A 39 -6.697 -9.981 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.977 -10.847 -4.070 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.554 -7.803 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.152 -8.452 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.421 -8.558 -1.398 1.00 0.00 H new ATOM 552 N GLU A 40 -7.732 -12.036 -1.827 1.00 0.00 N ATOM 553 CA GLU A 40 -8.711 -13.049 -2.205 1.00 0.00 C ATOM 554 C GLU A 40 -9.103 -12.904 -3.673 1.00 0.00 C ATOM 555 O GLU A 40 -9.155 -13.887 -4.412 1.00 0.00 O ATOM 556 CB GLU A 40 -9.952 -12.945 -1.316 1.00 0.00 C ATOM 557 CG GLU A 40 -10.063 -14.064 -0.293 1.00 0.00 C ATOM 558 CD GLU A 40 -9.376 -13.727 1.015 1.00 0.00 C ATOM 559 OE1 GLU A 40 -8.140 -13.891 1.097 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.073 -13.299 1.959 1.00 0.00 O ATOM 0 H GLU A 40 -8.137 -11.162 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.257 -14.030 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.936 -11.988 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.842 -12.950 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.115 -14.275 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.626 -14.973 -0.705 1.00 0.00 H new ATOM 567 N PHE A 41 -9.378 -11.671 -4.088 1.00 0.00 N ATOM 568 CA PHE A 41 -9.766 -11.398 -5.467 1.00 0.00 C ATOM 569 C PHE A 41 -8.667 -11.821 -6.436 1.00 0.00 C ATOM 570 O PHE A 41 -8.942 -12.225 -7.565 1.00 0.00 O ATOM 571 CB PHE A 41 -10.073 -9.910 -5.646 1.00 0.00 C ATOM 572 CG PHE A 41 -9.003 -9.005 -5.105 1.00 0.00 C ATOM 573 CD1 PHE A 41 -7.860 -8.745 -5.843 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.140 -8.416 -3.858 1.00 0.00 C ATOM 575 CE1 PHE A 41 -6.873 -7.914 -5.348 1.00 0.00 C ATOM 576 CE2 PHE A 41 -8.157 -7.584 -3.358 1.00 0.00 C ATOM 577 CZ PHE A 41 -7.022 -7.332 -4.104 1.00 0.00 C ATOM 0 H PHE A 41 -9.339 -10.846 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.663 -11.977 -5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.211 -9.701 -6.707 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.016 -9.680 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.739 -9.197 -6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.025 -8.610 -3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.986 -7.720 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.276 -7.131 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.253 -6.681 -3.715 1.00 0.00 H new ATOM 587 N ALA A 42 -7.419 -11.727 -5.985 1.00 0.00 N ATOM 588 CA ALA A 42 -6.279 -12.101 -6.812 1.00 0.00 C ATOM 589 C ALA A 42 -5.203 -12.794 -5.981 1.00 0.00 C ATOM 590 O ALA A 42 -4.546 -12.166 -5.150 1.00 0.00 O ATOM 591 CB ALA A 42 -5.705 -10.874 -7.505 1.00 0.00 C ATOM 0 H ALA A 42 -7.173 -11.395 -5.052 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.625 -12.804 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.854 -11.168 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.470 -10.422 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.380 -10.152 -6.756 1.00 0.00 H new ATOM 597 N SER A 43 -5.028 -14.091 -6.212 1.00 0.00 N ATOM 598 CA SER A 43 -4.031 -14.869 -5.484 1.00 0.00 C ATOM 599 C SER A 43 -2.622 -14.525 -5.957 1.00 0.00 C ATOM 600 O SER A 43 -2.137 -15.074 -6.947 1.00 0.00 O ATOM 601 CB SER A 43 -4.293 -16.366 -5.663 1.00 0.00 C ATOM 602 OG SER A 43 -4.224 -17.047 -4.422 1.00 0.00 O ATOM 0 H SER A 43 -5.563 -14.625 -6.897 1.00 0.00 H new ATOM 0 HA SER A 43 -4.110 -14.618 -4.426 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.276 -16.516 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.562 -16.787 -6.353 1.00 0.00 H new ATOM 0 HG SER A 43 -4.397 -18.001 -4.563 1.00 0.00 H new ATOM 608 N GLY A 44 -1.970 -13.614 -5.243 1.00 0.00 N ATOM 609 CA GLY A 44 -0.622 -13.212 -5.605 1.00 0.00 C ATOM 610 C GLY A 44 -0.068 -12.145 -4.682 1.00 0.00 C ATOM 611 O GLY A 44 -0.460 -12.056 -3.519 1.00 0.00 O ATOM 0 H GLY A 44 -2.350 -13.146 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.032 -14.083 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.620 -12.839 -6.629 1.00 0.00 H new ATOM 615 N GLN A 45 0.846 -11.334 -5.202 1.00 0.00 N ATOM 616 CA GLN A 45 1.456 -10.266 -4.417 1.00 0.00 C ATOM 617 C GLN A 45 0.650 -8.976 -4.534 1.00 0.00 C ATOM 618 O GLN A 45 0.628 -8.340 -5.588 1.00 0.00 O ATOM 619 CB GLN A 45 2.896 -10.026 -4.876 1.00 0.00 C ATOM 620 CG GLN A 45 3.927 -10.807 -4.077 1.00 0.00 C ATOM 621 CD GLN A 45 4.509 -11.970 -4.856 1.00 0.00 C ATOM 622 OE1 GLN A 45 3.906 -13.041 -4.938 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.688 -11.766 -5.433 1.00 0.00 N ATOM 0 H GLN A 45 1.181 -11.395 -6.163 1.00 0.00 H new ATOM 0 HA GLN A 45 1.462 -10.575 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.983 -10.296 -5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.120 -8.962 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.732 -10.137 -3.776 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.466 -11.181 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.152 -10.863 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.129 -12.513 -5.970 1.00 0.00 H new ATOM 632 N TRP A 46 -0.008 -8.595 -3.445 1.00 0.00 N ATOM 633 CA TRP A 46 -0.814 -7.380 -3.424 1.00 0.00 C ATOM 634 C TRP A 46 -0.681 -6.662 -2.085 1.00 0.00 C ATOM 635 O TRP A 46 -0.406 -7.285 -1.060 1.00 0.00 O ATOM 636 CB TRP A 46 -2.282 -7.713 -3.695 1.00 0.00 C ATOM 637 CG TRP A 46 -2.525 -8.252 -5.072 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.487 -9.562 -5.457 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.843 -7.496 -6.246 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.762 -9.665 -6.800 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.984 -8.412 -7.305 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.024 -6.134 -6.503 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.297 -8.008 -8.602 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.334 -5.735 -7.789 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.468 -6.669 -8.825 1.00 0.00 C ATOM 0 H TRP A 46 0.001 -9.110 -2.565 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.449 -6.717 -4.208 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.623 -8.444 -2.961 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.883 -6.815 -3.553 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.273 -10.394 -4.803 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.795 -10.534 -7.333 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.923 -5.407 -5.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.401 -8.726 -9.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.475 -4.685 -7.999 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.711 -6.325 -9.819 1.00 0.00 H new ATOM 656 N VAL A 47 -0.878 -5.348 -2.102 1.00 0.00 N ATOM 657 CA VAL A 47 -0.780 -4.545 -0.889 1.00 0.00 C ATOM 658 C VAL A 47 -1.802 -3.414 -0.894 1.00 0.00 C ATOM 659 O VAL A 47 -2.042 -2.785 -1.925 1.00 0.00 O ATOM 660 CB VAL A 47 0.629 -3.946 -0.724 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.656 -5.047 -0.509 1.00 0.00 C ATOM 662 CG2 VAL A 47 0.992 -3.096 -1.932 1.00 0.00 C ATOM 0 H VAL A 47 -1.106 -4.817 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.984 -5.212 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 47 0.630 -3.304 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.645 -4.604 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.404 -5.609 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.656 -5.718 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.991 -2.681 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.973 -3.713 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.272 -2.284 -2.035 1.00 0.00 H new ATOM 672 N GLY A 48 -2.404 -3.161 0.264 1.00 0.00 N ATOM 673 CA GLY A 48 -3.394 -2.106 0.370 1.00 0.00 C ATOM 674 C GLY A 48 -2.767 -0.741 0.571 1.00 0.00 C ATOM 675 O GLY A 48 -2.102 -0.498 1.579 1.00 0.00 O ATOM 0 H GLY A 48 -2.224 -3.668 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.004 -2.093 -0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.063 -2.322 1.203 1.00 0.00 H new ATOM 679 N VAL A 49 -2.977 0.152 -0.391 1.00 0.00 N ATOM 680 CA VAL A 49 -2.427 1.500 -0.315 1.00 0.00 C ATOM 681 C VAL A 49 -3.532 2.550 -0.389 1.00 0.00 C ATOM 682 O VAL A 49 -4.340 2.550 -1.317 1.00 0.00 O ATOM 683 CB VAL A 49 -1.413 1.758 -1.446 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.705 3.088 -1.237 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.409 0.618 -1.531 1.00 0.00 C ATOM 0 H VAL A 49 -3.524 -0.034 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.917 1.580 0.645 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.954 1.807 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.007 3.252 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.439 3.894 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.175 3.072 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.300 0.817 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.128 0.535 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.935 -0.315 -1.733 1.00 0.00 H new ATOM 695 N GLU A 50 -3.560 3.442 0.596 1.00 0.00 N ATOM 696 CA GLU A 50 -4.565 4.498 0.643 1.00 0.00 C ATOM 697 C GLU A 50 -4.051 5.769 -0.025 1.00 0.00 C ATOM 698 O GLU A 50 -3.114 6.402 0.461 1.00 0.00 O ATOM 699 CB GLU A 50 -4.958 4.792 2.091 1.00 0.00 C ATOM 700 CG GLU A 50 -6.353 5.378 2.237 1.00 0.00 C ATOM 701 CD GLU A 50 -6.445 6.391 3.361 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.732 6.222 4.372 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.230 7.354 3.229 1.00 0.00 O ATOM 0 H GLU A 50 -2.898 3.455 1.372 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.444 4.153 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.898 3.870 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.235 5.485 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.643 5.853 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.064 4.572 2.420 1.00 0.00 H new ATOM 710 N LEU A 51 -4.673 6.139 -1.140 1.00 0.00 N ATOM 711 CA LEU A 51 -4.278 7.336 -1.874 1.00 0.00 C ATOM 712 C LEU A 51 -4.489 8.586 -1.027 1.00 0.00 C ATOM 713 O LEU A 51 -5.574 8.810 -0.491 1.00 0.00 O ATOM 714 CB LEU A 51 -5.075 7.447 -3.176 1.00 0.00 C ATOM 715 CG LEU A 51 -4.842 6.314 -4.176 1.00 0.00 C ATOM 716 CD1 LEU A 51 -6.097 6.064 -5.000 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.664 6.637 -5.082 1.00 0.00 C ATOM 0 H LEU A 51 -5.452 5.628 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.217 7.254 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.137 7.483 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.826 8.393 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.609 5.406 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.913 5.255 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.918 5.788 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.360 6.970 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.513 5.820 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.868 7.557 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.766 6.766 -4.478 1.00 0.00 H new ATOM 729 N ASP A 52 -3.443 9.399 -0.910 1.00 0.00 N ATOM 730 CA ASP A 52 -3.515 10.628 -0.128 1.00 0.00 C ATOM 731 C ASP A 52 -4.526 11.598 -0.730 1.00 0.00 C ATOM 732 O ASP A 52 -5.210 12.325 -0.009 1.00 0.00 O ATOM 733 CB ASP A 52 -2.135 11.287 -0.050 1.00 0.00 C ATOM 734 CG ASP A 52 -1.714 11.578 1.377 1.00 0.00 C ATOM 735 OD1 ASP A 52 -1.256 10.640 2.063 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.842 12.743 1.809 1.00 0.00 O ATOM 0 H ASP A 52 -2.537 9.229 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.844 10.372 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.397 10.635 -0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.146 12.216 -0.619 1.00 0.00 H new ATOM 741 N GLU A 53 -4.616 11.605 -2.057 1.00 0.00 N ATOM 742 CA GLU A 53 -5.544 12.486 -2.755 1.00 0.00 C ATOM 743 C GLU A 53 -6.984 12.007 -2.583 1.00 0.00 C ATOM 744 O GLU A 53 -7.229 10.823 -2.348 1.00 0.00 O ATOM 745 CB GLU A 53 -5.191 12.557 -4.243 1.00 0.00 C ATOM 746 CG GLU A 53 -4.307 13.740 -4.602 1.00 0.00 C ATOM 747 CD GLU A 53 -3.480 13.492 -5.848 1.00 0.00 C ATOM 748 OE1 GLU A 53 -2.800 12.446 -5.912 1.00 0.00 O ATOM 749 OE2 GLU A 53 -3.510 14.345 -6.760 1.00 0.00 O ATOM 0 H GLU A 53 -4.057 11.010 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.458 13.482 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.686 11.635 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.111 12.612 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.930 14.622 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.642 13.959 -3.767 1.00 0.00 H new ATOM 756 N PRO A 54 -7.959 12.925 -2.699 1.00 0.00 N ATOM 757 CA PRO A 54 -9.379 12.590 -2.555 1.00 0.00 C ATOM 758 C PRO A 54 -9.905 11.780 -3.735 1.00 0.00 C ATOM 759 O PRO A 54 -10.793 12.225 -4.462 1.00 0.00 O ATOM 760 CB PRO A 54 -10.061 13.959 -2.497 1.00 0.00 C ATOM 761 CG PRO A 54 -9.144 14.869 -3.239 1.00 0.00 C ATOM 762 CD PRO A 54 -7.754 14.359 -2.979 1.00 0.00 C ATOM 0 HA PRO A 54 -9.566 11.969 -1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.048 13.930 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.199 14.289 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.368 14.864 -4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.253 15.898 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.103 14.511 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.290 14.870 -2.135 1.00 0.00 H new ATOM 770 N GLU A 55 -9.352 10.586 -3.918 1.00 0.00 N ATOM 771 CA GLU A 55 -9.766 9.711 -5.010 1.00 0.00 C ATOM 772 C GLU A 55 -9.374 8.264 -4.725 1.00 0.00 C ATOM 773 O GLU A 55 -8.381 8.001 -4.047 1.00 0.00 O ATOM 774 CB GLU A 55 -9.139 10.174 -6.327 1.00 0.00 C ATOM 775 CG GLU A 55 -10.088 10.977 -7.202 1.00 0.00 C ATOM 776 CD GLU A 55 -10.488 10.235 -8.463 1.00 0.00 C ATOM 777 OE1 GLU A 55 -10.527 8.988 -8.431 1.00 0.00 O ATOM 778 OE2 GLU A 55 -10.762 10.902 -9.483 1.00 0.00 O ATOM 0 H GLU A 55 -8.616 10.202 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.851 9.764 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.259 10.779 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.795 9.302 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.983 11.223 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.615 11.920 -7.475 1.00 0.00 H new ATOM 785 N GLY A 56 -10.162 7.329 -5.246 1.00 0.00 N ATOM 786 CA GLY A 56 -9.881 5.921 -5.037 1.00 0.00 C ATOM 787 C GLY A 56 -10.932 5.022 -5.658 1.00 0.00 C ATOM 788 O GLY A 56 -11.835 5.494 -6.347 1.00 0.00 O ATOM 0 H GLY A 56 -10.990 7.522 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.906 5.681 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.822 5.720 -3.967 1.00 0.00 H new ATOM 792 N LYS A 57 -10.813 3.720 -5.413 1.00 0.00 N ATOM 793 CA LYS A 57 -11.759 2.752 -5.953 1.00 0.00 C ATOM 794 C LYS A 57 -12.077 1.671 -4.926 1.00 0.00 C ATOM 795 O LYS A 57 -12.263 0.504 -5.274 1.00 0.00 O ATOM 796 CB LYS A 57 -11.198 2.115 -7.226 1.00 0.00 C ATOM 797 CG LYS A 57 -10.627 3.123 -8.209 1.00 0.00 C ATOM 798 CD LYS A 57 -9.768 2.446 -9.266 1.00 0.00 C ATOM 799 CE LYS A 57 -10.531 2.257 -10.566 1.00 0.00 C ATOM 800 NZ LYS A 57 -10.192 0.967 -11.228 1.00 0.00 N ATOM 0 H LYS A 57 -10.071 3.313 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.682 3.279 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.418 1.404 -6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.989 1.548 -7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.441 3.663 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.030 3.860 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.876 3.045 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.431 1.478 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.602 2.292 -10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.306 3.082 -11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.734 0.877 -12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.175 0.944 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.431 0.178 -10.594 1.00 0.00 H new ATOM 814 N ASN A 58 -12.136 2.064 -3.658 1.00 0.00 N ATOM 815 CA ASN A 58 -12.431 1.130 -2.580 1.00 0.00 C ATOM 816 C ASN A 58 -12.537 1.858 -1.242 1.00 0.00 C ATOM 817 O ASN A 58 -11.773 2.783 -0.966 1.00 0.00 O ATOM 818 CB ASN A 58 -11.350 0.049 -2.503 1.00 0.00 C ATOM 819 CG ASN A 58 -11.761 -1.229 -3.208 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.769 -1.846 -2.863 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.979 -1.635 -4.202 1.00 0.00 N ATOM 0 H ASN A 58 -11.983 3.025 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.391 0.659 -2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.430 0.427 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.132 -0.170 -1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.205 -2.489 -4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.153 -1.093 -4.455 1.00 0.00 H new ATOM 828 N ASP A 59 -13.487 1.432 -0.417 1.00 0.00 N ATOM 829 CA ASP A 59 -13.692 2.044 0.892 1.00 0.00 C ATOM 830 C ASP A 59 -13.025 1.218 1.987 1.00 0.00 C ATOM 831 O ASP A 59 -13.513 1.155 3.115 1.00 0.00 O ATOM 832 CB ASP A 59 -15.187 2.186 1.183 1.00 0.00 C ATOM 833 CG ASP A 59 -15.848 3.235 0.310 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.409 3.407 -0.846 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.806 3.882 0.782 1.00 0.00 O ATOM 0 H ASP A 59 -14.127 0.667 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.236 3.034 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.678 1.225 1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.327 2.449 2.232 1.00 0.00 H new ATOM 840 N GLY A 60 -11.907 0.586 1.646 1.00 0.00 N ATOM 841 CA GLY A 60 -11.191 -0.228 2.611 1.00 0.00 C ATOM 842 C GLY A 60 -11.827 -1.591 2.806 1.00 0.00 C ATOM 843 O GLY A 60 -11.704 -2.193 3.873 1.00 0.00 O ATOM 0 H GLY A 60 -11.484 0.623 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.160 -0.355 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.157 0.294 3.567 1.00 0.00 H new ATOM 847 N SER A 61 -12.509 -2.077 1.774 1.00 0.00 N ATOM 848 CA SER A 61 -13.166 -3.377 1.837 1.00 0.00 C ATOM 849 C SER A 61 -13.442 -3.917 0.437 1.00 0.00 C ATOM 850 O SER A 61 -13.703 -3.153 -0.493 1.00 0.00 O ATOM 851 CB SER A 61 -14.475 -3.272 2.622 1.00 0.00 C ATOM 852 OG SER A 61 -15.116 -4.532 2.716 1.00 0.00 O ATOM 0 H SER A 61 -12.621 -1.590 0.885 1.00 0.00 H new ATOM 0 HA SER A 61 -12.497 -4.069 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.273 -2.888 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.139 -2.558 2.134 1.00 0.00 H new ATOM 0 HG SER A 61 -14.443 -5.244 2.695 1.00 0.00 H new ATOM 858 N VAL A 62 -13.383 -5.236 0.294 1.00 0.00 N ATOM 859 CA VAL A 62 -13.626 -5.877 -0.992 1.00 0.00 C ATOM 860 C VAL A 62 -14.564 -7.071 -0.842 1.00 0.00 C ATOM 861 O VAL A 62 -14.175 -8.118 -0.326 1.00 0.00 O ATOM 862 CB VAL A 62 -12.313 -6.351 -1.643 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.564 -6.831 -3.063 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.276 -5.238 -1.624 1.00 0.00 C ATOM 0 H VAL A 62 -13.169 -5.882 1.053 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.091 -5.129 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.924 -7.189 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.625 -7.162 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.270 -7.661 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.977 -6.015 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.355 -5.591 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -11.655 -4.378 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.074 -4.946 -0.593 1.00 0.00 H new ATOM 874 N GLY A 63 -15.802 -6.905 -1.297 1.00 0.00 N ATOM 875 CA GLY A 63 -16.776 -7.976 -1.204 1.00 0.00 C ATOM 876 C GLY A 63 -17.071 -8.369 0.229 1.00 0.00 C ATOM 877 O GLY A 63 -17.818 -7.682 0.927 1.00 0.00 O ATOM 0 H GLY A 63 -16.148 -6.048 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.701 -7.665 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.408 -8.846 -1.747 1.00 0.00 H new ATOM 881 N GLY A 64 -16.484 -9.477 0.671 1.00 0.00 N ATOM 882 CA GLY A 64 -16.701 -9.942 2.028 1.00 0.00 C ATOM 883 C GLY A 64 -15.427 -9.944 2.851 1.00 0.00 C ATOM 884 O GLY A 64 -15.280 -10.741 3.777 1.00 0.00 O ATOM 0 H GLY A 64 -15.862 -10.061 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.442 -9.306 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.114 -10.950 2.002 1.00 0.00 H new ATOM 888 N VAL A 65 -14.504 -9.049 2.512 1.00 0.00 N ATOM 889 CA VAL A 65 -13.237 -8.952 3.226 1.00 0.00 C ATOM 890 C VAL A 65 -12.875 -7.496 3.505 1.00 0.00 C ATOM 891 O VAL A 65 -13.058 -6.626 2.654 1.00 0.00 O ATOM 892 CB VAL A 65 -12.093 -9.610 2.433 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.828 -9.675 3.275 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.500 -10.998 1.961 1.00 0.00 C ATOM 0 H VAL A 65 -14.610 -8.382 1.748 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.365 -9.481 4.171 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.886 -8.999 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.030 -10.143 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.527 -8.666 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.019 -10.262 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.679 -11.448 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.736 -11.621 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.377 -10.921 1.318 1.00 0.00 H new ATOM 904 N ARG A 66 -12.360 -7.240 4.704 1.00 0.00 N ATOM 905 CA ARG A 66 -11.972 -5.890 5.096 1.00 0.00 C ATOM 906 C ARG A 66 -10.487 -5.830 5.441 1.00 0.00 C ATOM 907 O ARG A 66 -9.963 -6.706 6.128 1.00 0.00 O ATOM 908 CB ARG A 66 -12.804 -5.424 6.293 1.00 0.00 C ATOM 909 CG ARG A 66 -12.903 -3.912 6.412 1.00 0.00 C ATOM 910 CD ARG A 66 -12.704 -3.451 7.848 1.00 0.00 C ATOM 911 NE ARG A 66 -13.799 -3.877 8.716 1.00 0.00 N ATOM 912 CZ ARG A 66 -14.988 -3.281 8.758 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.240 -2.234 7.981 1.00 0.00 N ATOM 914 NH2 ARG A 66 -15.927 -3.732 9.576 1.00 0.00 N ATOM 0 H ARG A 66 -12.202 -7.949 5.420 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.159 -5.226 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.808 -5.840 6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.366 -5.824 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.154 -3.446 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.878 -3.581 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.763 -3.848 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.624 -2.364 7.872 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.643 -4.679 9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.521 -1.883 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.153 -1.780 8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.739 -4.537 10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.838 -3.275 9.608 1.00 0.00 H new ATOM 928 N TYR A 67 -9.815 -4.789 4.960 1.00 0.00 N ATOM 929 CA TYR A 67 -8.389 -4.613 5.218 1.00 0.00 C ATOM 930 C TYR A 67 -8.144 -3.414 6.127 1.00 0.00 C ATOM 931 O TYR A 67 -7.224 -3.421 6.945 1.00 0.00 O ATOM 932 CB TYR A 67 -7.630 -4.433 3.901 1.00 0.00 C ATOM 933 CG TYR A 67 -7.876 -5.542 2.903 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.131 -5.728 2.337 1.00 0.00 C ATOM 935 CD2 TYR A 67 -6.853 -6.403 2.527 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.359 -6.740 1.424 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.073 -7.418 1.615 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.327 -7.582 1.066 1.00 0.00 C ATOM 939 OH TYR A 67 -8.551 -8.591 0.159 1.00 0.00 O ATOM 0 H TYR A 67 -10.234 -4.055 4.390 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.023 -5.508 5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.918 -3.482 3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.562 -4.376 4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.942 -5.071 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.869 -6.277 2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.341 -6.871 0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.267 -8.079 1.334 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.351 -8.269 -0.745 1.00 0.00 H new ATOM 949 N PHE A 68 -8.972 -2.386 5.978 1.00 0.00 N ATOM 950 CA PHE A 68 -8.845 -1.178 6.787 1.00 0.00 C ATOM 951 C PHE A 68 -10.064 -0.278 6.618 1.00 0.00 C ATOM 952 O PHE A 68 -10.998 -0.611 5.888 1.00 0.00 O ATOM 953 CB PHE A 68 -7.576 -0.416 6.402 1.00 0.00 C ATOM 954 CG PHE A 68 -7.465 -0.142 4.929 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.002 -1.119 4.062 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.824 1.092 4.411 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.899 -0.871 2.706 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.722 1.346 3.056 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.259 0.363 2.203 1.00 0.00 C ATOM 0 H PHE A 68 -9.738 -2.364 5.305 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.780 -1.476 7.834 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.552 0.530 6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.706 -0.989 6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.718 -2.086 4.451 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.188 1.864 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.537 -1.642 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.004 2.312 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.179 0.560 1.144 1.00 0.00 H new ATOM 969 N ILE A 69 -10.048 0.864 7.298 1.00 0.00 N ATOM 970 CA ILE A 69 -11.152 1.813 7.222 1.00 0.00 C ATOM 971 C ILE A 69 -10.690 3.147 6.646 1.00 0.00 C ATOM 972 O ILE A 69 -9.695 3.717 7.092 1.00 0.00 O ATOM 973 CB ILE A 69 -11.779 2.057 8.609 1.00 0.00 C ATOM 974 CG1 ILE A 69 -10.697 2.428 9.626 1.00 0.00 C ATOM 975 CG2 ILE A 69 -12.545 0.826 9.067 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.092 3.569 10.538 1.00 0.00 C ATOM 0 H ILE A 69 -9.283 1.154 7.907 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.902 1.375 6.563 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.479 2.889 8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.464 1.553 10.232 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.786 2.698 9.093 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.982 1.013 10.048 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.338 0.604 8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.865 -0.023 9.129 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.278 3.778 11.233 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.297 4.458 9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.986 3.294 11.098 1.00 0.00 H new ATOM 988 N CYS A 70 -11.419 3.640 5.649 1.00 0.00 N ATOM 989 CA CYS A 70 -11.082 4.907 5.011 1.00 0.00 C ATOM 990 C CYS A 70 -12.311 5.526 4.347 1.00 0.00 C ATOM 991 O CYS A 70 -13.303 4.842 4.097 1.00 0.00 O ATOM 992 CB CYS A 70 -9.978 4.701 3.973 1.00 0.00 C ATOM 993 SG CYS A 70 -10.448 3.627 2.597 1.00 0.00 S ATOM 0 H CYS A 70 -12.246 3.181 5.266 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.724 5.590 5.782 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.681 5.672 3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.104 4.278 4.468 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.449 3.516 1.772 1.00 0.00 H new ATOM 999 N PRO A 71 -12.259 6.836 4.052 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.371 7.548 3.414 1.00 0.00 C ATOM 1001 C PRO A 71 -13.785 6.903 2.093 1.00 0.00 C ATOM 1002 O PRO A 71 -13.088 6.031 1.575 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.811 8.953 3.171 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.700 9.097 4.153 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.113 7.725 4.316 1.00 0.00 C ATOM 0 HA PRO A 71 -14.268 7.538 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.451 9.064 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.575 9.715 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.950 9.802 3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.068 9.480 5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.297 7.550 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.710 7.576 5.318 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.927 7.328 1.525 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.426 6.787 0.257 1.00 0.00 C ATOM 1015 C PRO A 72 -14.484 7.081 -0.905 1.00 0.00 C ATOM 1016 O PRO A 72 -14.162 8.237 -1.179 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.766 7.505 0.056 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.675 8.734 0.894 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.819 8.367 2.071 1.00 0.00 C ATOM 0 HA PRO A 72 -15.515 5.701 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.927 7.754 -0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.601 6.877 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.234 9.558 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.664 9.061 1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.258 9.224 2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.416 7.990 2.902 1.00 0.00 H new ATOM 1027 N LYS A 73 -14.042 6.026 -1.582 1.00 0.00 N ATOM 1028 CA LYS A 73 -13.134 6.171 -2.713 1.00 0.00 C ATOM 1029 C LYS A 73 -11.813 6.794 -2.273 1.00 0.00 C ATOM 1030 O LYS A 73 -11.655 8.014 -2.293 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.774 7.027 -3.807 1.00 0.00 C ATOM 1032 CG LYS A 73 -15.105 6.484 -4.303 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.719 7.393 -5.356 1.00 0.00 C ATOM 1034 CE LYS A 73 -16.941 6.756 -6.000 1.00 0.00 C ATOM 1035 NZ LYS A 73 -18.209 7.337 -5.480 1.00 0.00 N ATOM 0 H LYS A 73 -14.298 5.062 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.933 5.177 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.922 8.037 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.085 7.101 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.960 5.488 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.793 6.381 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.000 8.342 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.977 7.616 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.895 6.893 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.931 5.682 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.018 6.876 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.265 7.184 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.231 8.357 -5.680 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.869 5.947 -1.877 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.562 6.415 -1.431 1.00 0.00 C ATOM 1051 C GLN A 74 -8.565 5.262 -1.368 1.00 0.00 C ATOM 1052 O GLN A 74 -7.417 5.398 -1.789 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.677 7.082 -0.058 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.793 8.308 0.098 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.436 9.385 0.951 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.634 9.646 0.842 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.640 10.017 1.805 1.00 0.00 N ATOM 0 H GLN A 74 -10.984 4.934 -1.856 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.199 7.147 -2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.715 7.369 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.417 6.356 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.844 8.013 0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.567 8.716 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.653 9.768 1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.016 10.752 2.404 1.00 0.00 H new ATOM 1066 N GLY A 75 -9.012 4.129 -0.838 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.148 2.969 -0.729 1.00 0.00 C ATOM 1068 C GLY A 75 -8.011 2.223 -2.041 1.00 0.00 C ATOM 1069 O GLY A 75 -8.963 2.138 -2.818 1.00 0.00 O ATOM 0 H GLY A 75 -9.958 3.993 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.162 3.285 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.545 2.294 0.029 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.823 1.681 -2.292 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.565 0.939 -3.519 1.00 0.00 C ATOM 1075 C LEU A 76 -5.457 -0.089 -3.312 1.00 0.00 C ATOM 1076 O LEU A 76 -4.527 0.134 -2.537 1.00 0.00 O ATOM 1077 CB LEU A 76 -6.182 1.898 -4.648 1.00 0.00 C ATOM 1078 CG LEU A 76 -6.700 1.507 -6.034 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.790 2.730 -6.935 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -5.803 0.448 -6.657 1.00 0.00 C ATOM 0 H LEU A 76 -6.024 1.742 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.478 0.411 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.558 2.891 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.095 1.970 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.701 1.089 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.160 2.433 -7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.473 3.457 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.802 3.178 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.185 0.181 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.791 0.840 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.789 -0.437 -6.021 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.565 -1.215 -4.008 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.573 -2.279 -3.900 1.00 0.00 C ATOM 1094 C PHE A 77 -3.743 -2.380 -5.176 1.00 0.00 C ATOM 1095 O PHE A 77 -4.240 -2.131 -6.274 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.258 -3.618 -3.617 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.300 -3.542 -2.537 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.607 -3.199 -2.841 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -5.971 -3.814 -1.219 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -8.568 -3.128 -1.851 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -6.928 -3.745 -0.224 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.228 -3.401 -0.540 1.00 0.00 C ATOM 0 H PHE A 77 -6.329 -1.415 -4.653 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.907 -2.037 -3.072 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.722 -3.980 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.503 -4.350 -3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.878 -2.984 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.956 -4.083 -0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.584 -2.859 -2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.660 -3.960 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.977 -3.346 0.236 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.475 -2.746 -5.023 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.575 -2.880 -6.163 1.00 0.00 C ATOM 1114 C ALA A 78 -0.427 -3.833 -5.847 1.00 0.00 C ATOM 1115 O ALA A 78 -0.305 -4.324 -4.724 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.035 -1.517 -6.570 1.00 0.00 C ATOM 0 H ALA A 78 -2.047 -2.955 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.141 -3.299 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.365 -1.631 -7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.864 -0.865 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.489 -1.078 -5.735 1.00 0.00 H new ATOM 1122 N SER A 79 0.412 -4.091 -6.844 1.00 0.00 N ATOM 1123 CA SER A 79 1.551 -4.985 -6.672 1.00 0.00 C ATOM 1124 C SER A 79 2.772 -4.220 -6.170 1.00 0.00 C ATOM 1125 O SER A 79 3.002 -3.075 -6.559 1.00 0.00 O ATOM 1126 CB SER A 79 1.880 -5.685 -7.992 1.00 0.00 C ATOM 1127 OG SER A 79 1.127 -6.877 -8.140 1.00 0.00 O ATOM 0 H SER A 79 0.325 -3.694 -7.779 1.00 0.00 H new ATOM 0 HA SER A 79 1.284 -5.735 -5.928 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.671 -5.014 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.944 -5.917 -8.029 1.00 0.00 H new ATOM 0 HG SER A 79 0.925 -7.248 -7.256 1.00 0.00 H new ATOM 1133 N VAL A 80 3.552 -4.861 -5.305 1.00 0.00 N ATOM 1134 CA VAL A 80 4.749 -4.243 -4.749 1.00 0.00 C ATOM 1135 C VAL A 80 5.714 -3.817 -5.851 1.00 0.00 C ATOM 1136 O VAL A 80 6.470 -2.859 -5.691 1.00 0.00 O ATOM 1137 CB VAL A 80 5.478 -5.198 -3.786 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.674 -5.388 -2.510 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.746 -6.535 -4.461 1.00 0.00 C ATOM 0 H VAL A 80 3.375 -5.810 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 80 4.421 -3.362 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 80 6.437 -4.753 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.206 -6.066 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.540 -4.425 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.699 -5.810 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.262 -7.197 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.801 -6.988 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.368 -6.379 -5.342 1.00 0.00 H new ATOM 1149 N SER A 81 5.682 -4.534 -6.970 1.00 0.00 N ATOM 1150 CA SER A 81 6.555 -4.229 -8.097 1.00 0.00 C ATOM 1151 C SER A 81 6.309 -2.813 -8.611 1.00 0.00 C ATOM 1152 O SER A 81 7.222 -2.160 -9.117 1.00 0.00 O ATOM 1153 CB SER A 81 6.334 -5.238 -9.227 1.00 0.00 C ATOM 1154 OG SER A 81 6.440 -6.569 -8.751 1.00 0.00 O ATOM 0 H SER A 81 5.061 -5.329 -7.120 1.00 0.00 H new ATOM 0 HA SER A 81 7.587 -4.297 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.350 -5.084 -9.669 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.067 -5.071 -10.016 1.00 0.00 H new ATOM 0 HG SER A 81 6.293 -7.194 -9.491 1.00 0.00 H new ATOM 1160 N LYS A 82 5.073 -2.346 -8.476 1.00 0.00 N ATOM 1161 CA LYS A 82 4.710 -1.007 -8.927 1.00 0.00 C ATOM 1162 C LYS A 82 4.601 -0.044 -7.748 1.00 0.00 C ATOM 1163 O LYS A 82 3.824 0.909 -7.783 1.00 0.00 O ATOM 1164 CB LYS A 82 3.385 -1.045 -9.692 1.00 0.00 C ATOM 1165 CG LYS A 82 3.373 -2.047 -10.835 1.00 0.00 C ATOM 1166 CD LYS A 82 2.398 -1.633 -11.926 1.00 0.00 C ATOM 1167 CE LYS A 82 2.791 -0.305 -12.555 1.00 0.00 C ATOM 1168 NZ LYS A 82 3.004 -0.426 -14.023 1.00 0.00 N ATOM 0 H LYS A 82 4.306 -2.874 -8.059 1.00 0.00 H new ATOM 0 HA LYS A 82 5.497 -0.651 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.581 -1.288 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.175 -0.052 -10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.375 -2.134 -11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.100 -3.031 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.363 -2.404 -12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.395 -1.555 -11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.012 0.433 -12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.703 0.063 -12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.270 0.501 -14.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.764 -1.111 -14.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.126 -0.753 -14.475 1.00 0.00 H new ATOM 1182 N ILE A 83 5.386 -0.300 -6.705 1.00 0.00 N ATOM 1183 CA ILE A 83 5.376 0.545 -5.517 1.00 0.00 C ATOM 1184 C ILE A 83 6.783 0.715 -4.953 1.00 0.00 C ATOM 1185 O ILE A 83 7.651 -0.133 -5.155 1.00 0.00 O ATOM 1186 CB ILE A 83 4.462 -0.036 -4.420 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.085 -0.368 -4.996 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.336 0.943 -3.262 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.207 -1.154 -4.046 1.00 0.00 C ATOM 0 H ILE A 83 6.036 -1.085 -6.659 1.00 0.00 H new ATOM 0 HA ILE A 83 4.989 1.517 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 83 4.909 -0.956 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.578 0.559 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.213 -0.938 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.688 0.518 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.322 1.134 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.908 1.879 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.246 -1.354 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.693 -2.098 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.049 -0.577 -3.135 1.00 0.00 H new ATOM 1201 N SER A 84 7.001 1.819 -4.246 1.00 0.00 N ATOM 1202 CA SER A 84 8.302 2.103 -3.652 1.00 0.00 C ATOM 1203 C SER A 84 8.160 2.469 -2.178 1.00 0.00 C ATOM 1204 O SER A 84 7.052 2.497 -1.640 1.00 0.00 O ATOM 1205 CB SER A 84 8.996 3.239 -4.410 1.00 0.00 C ATOM 1206 OG SER A 84 10.197 2.790 -5.013 1.00 0.00 O ATOM 0 H SER A 84 6.293 2.532 -4.070 1.00 0.00 H new ATOM 0 HA SER A 84 8.911 1.202 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.326 3.633 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.214 4.058 -3.725 1.00 0.00 H new ATOM 0 HG SER A 84 10.620 3.533 -5.492 1.00 0.00 H new ATOM 1212 N LYS A 85 9.286 2.749 -1.531 1.00 0.00 N ATOM 1213 CA LYS A 85 9.287 3.113 -0.118 1.00 0.00 C ATOM 1214 C LYS A 85 9.330 4.629 0.052 1.00 0.00 C ATOM 1215 O LYS A 85 10.001 5.145 0.947 1.00 0.00 O ATOM 1216 CB LYS A 85 10.480 2.474 0.594 1.00 0.00 C ATOM 1217 CG LYS A 85 10.361 2.482 2.109 1.00 0.00 C ATOM 1218 CD LYS A 85 11.597 1.889 2.770 1.00 0.00 C ATOM 1219 CE LYS A 85 12.101 2.769 3.902 1.00 0.00 C ATOM 1220 NZ LYS A 85 12.679 4.046 3.397 1.00 0.00 N ATOM 0 H LYS A 85 10.210 2.731 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 85 8.365 2.741 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.588 1.445 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.389 3.002 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.216 3.504 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.480 1.915 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.364 0.897 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.384 1.765 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.280 2.987 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.856 2.229 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.233 4.499 4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.297 3.850 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.911 4.682 3.102 1.00 0.00 H new ATOM 1234 N ALA A 86 8.607 5.337 -0.810 1.00 0.00 N ATOM 1235 CA ALA A 86 8.563 6.793 -0.754 1.00 0.00 C ATOM 1236 C ALA A 86 9.954 7.392 -0.927 1.00 0.00 C ATOM 1237 O ALA A 86 10.958 6.683 -0.864 1.00 0.00 O ATOM 1238 CB ALA A 86 7.949 7.252 0.560 1.00 0.00 C ATOM 0 H ALA A 86 8.044 4.926 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 86 7.940 7.144 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.922 8.341 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.935 6.862 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.549 6.882 1.391 1.00 0.00 H new