USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 498 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 110 ASN : amide:sc= -0.173 X(o=0.83,f=0.62) USER MOD Set 1.2: A 132 SER OG : rot 32:sc= 1.01 USER MOD Single : A 81 HIS :FLIP no HD1:sc= -8.57! C(o=-9.9!,f=-8.6!) USER MOD Single : A 85 SER OG : rot 130:sc= 0.871 USER MOD Single : A 87 MET CE :methyl -109:sc= -0.499 (180deg=-2.98!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0022 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 118:sc= 0.553 USER MOD Single : A 96 SER OG : rot 180:sc= -1.16 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -158:sc= -0.0368 (180deg=-0.34) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 142:sc= -2.18! USER MOD Single : A 121 MET CE :methyl -127:sc=-0.00633 (180deg=-0.23) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl -177:sc= 0 (180deg=-0.0128) USER MOD Single : A 125 ASN : amide:sc= -4.1 K(o=-4.1,f=-6.2!) USER MOD Single : A 126 GLN : amide:sc=-0.00145 X(o=-0.0014,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 170:sc= -0.44 USER MOD Single : A 136 LYS NZ :NH3+ -135:sc= 0.0329 (180deg=-0.0476) USER MOD Single : A 142 SER OG : rot 46:sc= 1.24 USER MOD Single : A 144 GLN : amide:sc= -4.18! C(o=-4.2!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.472 7.977 2.732 1.00 1.00 N ATOM 131 CA HIS A 81 -5.621 6.620 3.230 1.00 1.00 C ATOM 132 C HIS A 81 -4.242 6.024 3.514 1.00 1.00 C ATOM 133 O HIS A 81 -3.471 5.766 2.591 1.00 1.00 O ATOM 134 CB HIS A 81 -6.447 5.773 2.259 1.00 1.00 C ATOM 135 CG HIS A 81 -6.041 4.319 2.217 1.00 1.00 C ATOM 136 ND1 HIS A 81 -6.014 3.431 1.183 1.00 1.00 N flip ATOM 137 CD2 HIS A 81 -5.602 3.630 3.335 1.00 1.00 C flip ATOM 138 CE1 HIS A 81 -5.581 2.263 1.643 1.00 1.00 C flip ATOM 139 NE2 HIS A 81 -5.325 2.385 2.977 1.00 1.00 N flip ATOM 0 HA HIS A 81 -6.173 6.631 4.170 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -7.498 5.838 2.539 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -6.357 6.194 1.258 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -5.502 4.038 4.330 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -5.453 1.365 1.057 1.00 1.00 H new ATOM 0 HE2 HIS A 81 -4.981 1.647 3.591 1.00 1.00 H new ATOM 146 N ILE A 82 -3.973 5.820 4.795 1.00 1.00 N ATOM 147 CA ILE A 82 -2.699 5.258 5.213 1.00 1.00 C ATOM 148 C ILE A 82 -2.836 3.740 5.342 1.00 1.00 C ATOM 149 O ILE A 82 -3.685 3.250 6.087 1.00 1.00 O ATOM 150 CB ILE A 82 -2.204 5.943 6.488 1.00 1.00 C ATOM 151 CG1 ILE A 82 -2.150 7.461 6.310 1.00 1.00 C ATOM 152 CG2 ILE A 82 -0.857 5.369 6.930 1.00 1.00 C ATOM 153 CD1 ILE A 82 -1.655 7.831 4.911 1.00 1.00 C ATOM 0 H ILE A 82 -4.615 6.034 5.558 1.00 1.00 H new ATOM 0 HA ILE A 82 -1.933 5.447 4.461 1.00 1.00 H new ATOM 0 HB ILE A 82 -2.919 5.739 7.285 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -3.141 7.885 6.473 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -1.489 7.896 7.060 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.527 5.873 7.838 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -0.963 4.302 7.125 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -0.120 5.523 6.142 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -1.626 8.916 4.810 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -0.655 7.426 4.760 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -2.331 7.415 4.164 1.00 1.00 H new ATOM 164 N VAL A 83 -1.987 3.037 4.607 1.00 1.00 N ATOM 165 CA VAL A 83 -2.002 1.583 4.631 1.00 1.00 C ATOM 166 C VAL A 83 -1.172 1.089 5.818 1.00 1.00 C ATOM 167 O VAL A 83 0.036 1.314 5.873 1.00 1.00 O ATOM 168 CB VAL A 83 -1.514 1.034 3.289 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.533 -0.496 3.285 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.341 1.596 2.133 1.00 1.00 C ATOM 0 H VAL A 83 -1.284 3.446 3.991 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.018 1.212 4.769 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.482 1.357 3.149 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -1.182 -0.862 2.320 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -0.881 -0.870 4.074 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.550 -0.848 3.458 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -1.973 1.189 1.191 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.387 1.317 2.265 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.254 2.682 2.118 1.00 1.00 H new ATOM 180 N ARG A 84 -1.853 0.423 6.739 1.00 1.00 N ATOM 181 CA ARG A 84 -1.195 -0.105 7.920 1.00 1.00 C ATOM 182 C ARG A 84 -1.080 -1.629 7.828 1.00 1.00 C ATOM 183 O ARG A 84 -2.084 -2.322 7.678 1.00 1.00 O ATOM 184 CB ARG A 84 -1.963 0.264 9.191 1.00 1.00 C ATOM 185 CG ARG A 84 -1.774 1.744 9.534 1.00 1.00 C ATOM 186 CD ARG A 84 -3.028 2.316 10.199 1.00 1.00 C ATOM 187 NE ARG A 84 -4.049 2.624 9.174 1.00 1.00 N ATOM 188 CZ ARG A 84 -5.237 3.209 9.441 1.00 1.00 C ATOM 189 NH1 ARG A 84 -5.563 3.554 10.704 1.00 1.00 N ATOM 190 NH2 ARG A 84 -6.075 3.439 8.446 1.00 1.00 N ATOM 0 H ARG A 84 -2.855 0.237 6.690 1.00 1.00 H new ATOM 0 HA ARG A 84 -0.200 0.337 7.969 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -3.023 0.051 9.055 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.618 -0.353 10.021 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -0.919 1.861 10.200 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -1.550 2.306 8.627 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -3.427 1.600 10.918 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -2.775 3.219 10.755 1.00 1.00 H new ATOM 0 HE ARG A 84 -3.843 2.379 8.205 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -4.910 3.374 11.467 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -6.462 3.995 10.896 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -5.821 3.176 7.494 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -6.976 3.880 8.630 1.00 1.00 H new ATOM 199 N SER A 85 0.153 -2.104 7.922 1.00 1.00 N ATOM 200 CA SER A 85 0.412 -3.532 7.850 1.00 1.00 C ATOM 201 C SER A 85 -0.553 -4.286 8.766 1.00 1.00 C ATOM 202 O SER A 85 -0.405 -4.260 9.987 1.00 1.00 O ATOM 203 CB SER A 85 1.860 -3.849 8.230 1.00 1.00 C ATOM 204 OG SER A 85 2.450 -2.806 9.001 1.00 1.00 O ATOM 0 H SER A 85 0.984 -1.526 8.047 1.00 1.00 H new ATOM 0 HA SER A 85 0.255 -3.856 6.821 1.00 1.00 H new ATOM 0 HB2 SER A 85 1.891 -4.780 8.796 1.00 1.00 H new ATOM 0 HB3 SER A 85 2.446 -4.007 7.325 1.00 1.00 H new ATOM 0 HG SER A 85 2.871 -3.188 9.799 1.00 1.00 H new ATOM 209 N PRO A 86 -1.549 -4.956 8.125 1.00 1.00 N ATOM 210 CA PRO A 86 -2.538 -5.716 8.870 1.00 1.00 C ATOM 211 C PRO A 86 -1.946 -7.025 9.393 1.00 1.00 C ATOM 212 O PRO A 86 -2.639 -7.811 10.039 1.00 1.00 O ATOM 213 CB PRO A 86 -3.684 -5.931 7.894 1.00 1.00 C ATOM 214 CG PRO A 86 -3.104 -5.691 6.510 1.00 1.00 C ATOM 215 CD PRO A 86 -1.756 -5.009 6.681 1.00 1.00 C ATOM 0 HA PRO A 86 -2.883 -5.195 9.763 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.085 -6.941 7.979 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.505 -5.243 8.098 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -2.990 -6.634 5.975 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -3.775 -5.068 5.918 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -0.963 -5.570 6.187 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -1.759 -4.010 6.244 1.00 1.00 H new ATOM 220 N MET A 87 -0.670 -7.221 9.094 1.00 1.00 N ATOM 221 CA MET A 87 0.024 -8.422 9.527 1.00 1.00 C ATOM 222 C MET A 87 1.534 -8.187 9.599 1.00 1.00 C ATOM 223 O MET A 87 2.158 -7.821 8.603 1.00 1.00 O ATOM 224 CB MET A 87 -0.269 -9.561 8.548 1.00 1.00 C ATOM 225 CG MET A 87 0.233 -9.221 7.145 1.00 1.00 C ATOM 226 SD MET A 87 -0.651 -10.186 5.930 1.00 1.00 S ATOM 227 CE MET A 87 -2.303 -9.555 6.176 1.00 1.00 C ATOM 0 H MET A 87 -0.099 -6.568 8.557 1.00 1.00 H new ATOM 0 HA MET A 87 -0.332 -8.686 10.523 1.00 1.00 H new ATOM 0 HB2 MET A 87 0.208 -10.477 8.897 1.00 1.00 H new ATOM 0 HB3 MET A 87 -1.342 -9.752 8.518 1.00 1.00 H new ATOM 0 HG2 MET A 87 0.095 -8.158 6.948 1.00 1.00 H new ATOM 0 HG3 MET A 87 1.302 -9.422 7.074 1.00 1.00 H new ATOM 0 HE1 MET A 87 -2.917 -10.319 6.653 1.00 1.00 H new ATOM 0 HE2 MET A 87 -2.264 -8.671 6.813 1.00 1.00 H new ATOM 0 HE3 MET A 87 -2.738 -9.289 5.213 1.00 1.00 H new ATOM 235 N VAL A 88 2.080 -8.406 10.787 1.00 1.00 N ATOM 236 CA VAL A 88 3.505 -8.222 11.002 1.00 1.00 C ATOM 237 C VAL A 88 4.281 -9.164 10.078 1.00 1.00 C ATOM 238 O VAL A 88 3.826 -10.269 9.789 1.00 1.00 O ATOM 239 CB VAL A 88 3.841 -8.424 12.480 1.00 1.00 C ATOM 240 CG1 VAL A 88 5.261 -7.943 12.790 1.00 1.00 C ATOM 241 CG2 VAL A 88 2.818 -7.722 13.376 1.00 1.00 C ATOM 0 H VAL A 88 1.560 -8.709 11.611 1.00 1.00 H new ATOM 0 HA VAL A 88 3.801 -7.203 10.751 1.00 1.00 H new ATOM 0 HB VAL A 88 3.795 -9.492 12.691 1.00 1.00 H new ATOM 0 HG11 VAL A 88 5.475 -8.098 13.848 1.00 1.00 H new ATOM 0 HG12 VAL A 88 5.975 -8.506 12.189 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.345 -6.882 12.554 1.00 1.00 H new ATOM 0 HG21 VAL A 88 3.080 -7.881 14.422 1.00 1.00 H new ATOM 0 HG22 VAL A 88 2.818 -6.653 13.161 1.00 1.00 H new ATOM 0 HG23 VAL A 88 1.826 -8.130 13.184 1.00 1.00 H new ATOM 251 N GLY A 89 5.438 -8.690 9.641 1.00 1.00 N ATOM 252 CA GLY A 89 6.282 -9.476 8.758 1.00 1.00 C ATOM 253 C GLY A 89 7.126 -8.572 7.856 1.00 1.00 C ATOM 254 O GLY A 89 7.929 -7.778 8.346 1.00 1.00 O ATOM 0 H GLY A 89 5.811 -7.772 9.882 1.00 1.00 H new ATOM 0 HA2 GLY A 89 6.935 -10.117 9.350 1.00 1.00 H new ATOM 0 HA3 GLY A 89 5.663 -10.131 8.145 1.00 1.00 H new ATOM 258 N THR A 90 6.915 -8.721 6.558 1.00 1.00 N ATOM 259 CA THR A 90 7.646 -7.927 5.585 1.00 1.00 C ATOM 260 C THR A 90 6.678 -7.257 4.608 1.00 1.00 C ATOM 261 O THR A 90 5.493 -7.586 4.578 1.00 1.00 O ATOM 262 CB THR A 90 8.666 -8.839 4.899 1.00 1.00 C ATOM 263 OG1 THR A 90 9.362 -9.454 5.980 1.00 1.00 O ATOM 264 CG2 THR A 90 9.748 -8.054 4.157 1.00 1.00 C ATOM 0 H THR A 90 6.248 -9.380 6.156 1.00 1.00 H new ATOM 0 HA THR A 90 8.188 -7.113 6.067 1.00 1.00 H new ATOM 0 HB THR A 90 8.152 -9.497 4.199 1.00 1.00 H new ATOM 0 HG1 THR A 90 10.042 -10.064 5.626 1.00 1.00 H new ATOM 0 HG21 THR A 90 10.445 -8.749 3.689 1.00 1.00 H new ATOM 0 HG22 THR A 90 9.285 -7.432 3.390 1.00 1.00 H new ATOM 0 HG23 THR A 90 10.286 -7.420 4.862 1.00 1.00 H new ATOM 272 N PHE A 91 7.218 -6.329 3.832 1.00 1.00 N ATOM 273 CA PHE A 91 6.417 -5.609 2.856 1.00 1.00 C ATOM 274 C PHE A 91 7.198 -5.392 1.559 1.00 1.00 C ATOM 275 O PHE A 91 8.400 -5.132 1.589 1.00 1.00 O ATOM 276 CB PHE A 91 6.081 -4.248 3.469 1.00 1.00 C ATOM 277 CG PHE A 91 5.439 -3.265 2.489 1.00 1.00 C ATOM 278 CD1 PHE A 91 6.176 -2.737 1.475 1.00 1.00 C ATOM 279 CD2 PHE A 91 4.131 -2.920 2.631 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.580 -1.824 0.564 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.535 -2.007 1.720 1.00 1.00 C ATOM 282 CZ PHE A 91 4.272 -1.479 0.707 1.00 1.00 C ATOM 0 H PHE A 91 8.201 -6.059 3.859 1.00 1.00 H new ATOM 0 HA PHE A 91 5.520 -6.180 2.617 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.406 -4.397 4.312 1.00 1.00 H new ATOM 0 HB3 PHE A 91 6.994 -3.805 3.866 1.00 1.00 H new ATOM 0 HD1 PHE A 91 7.214 -3.012 1.362 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.546 -3.340 3.436 1.00 1.00 H new ATOM 0 HE1 PHE A 91 6.165 -1.404 -0.241 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.497 -1.732 1.832 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.818 -0.785 0.015 1.00 1.00 H new ATOM 291 N TYR A 92 6.483 -5.507 0.450 1.00 1.00 N ATOM 292 CA TYR A 92 7.094 -5.327 -0.857 1.00 1.00 C ATOM 293 C TYR A 92 6.218 -4.453 -1.756 1.00 1.00 C ATOM 294 O TYR A 92 5.009 -4.356 -1.546 1.00 1.00 O ATOM 295 CB TYR A 92 7.200 -6.725 -1.470 1.00 1.00 C ATOM 296 CG TYR A 92 8.289 -7.597 -0.845 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.616 -7.369 -1.151 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.947 -8.614 0.024 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.643 -8.191 -0.562 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.973 -9.434 0.612 1.00 1.00 C ATOM 301 CZ TYR A 92 10.271 -9.182 0.290 1.00 1.00 C ATOM 302 OH TYR A 92 11.240 -9.959 0.844 1.00 1.00 O ATOM 0 H TYR A 92 5.486 -5.723 0.429 1.00 1.00 H new ATOM 0 HA TYR A 92 8.064 -4.838 -0.763 1.00 1.00 H new ATOM 0 HB2 TYR A 92 6.240 -7.230 -1.365 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.395 -6.628 -2.538 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.884 -6.575 -1.832 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.909 -8.794 0.262 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.685 -8.023 -0.793 1.00 1.00 H new ATOM 0 HE2 TYR A 92 8.718 -10.232 1.294 1.00 1.00 H new ATOM 0 HH TYR A 92 10.828 -10.625 1.433 1.00 1.00 H new ATOM 311 N ARG A 93 6.859 -3.841 -2.740 1.00 1.00 N ATOM 312 CA ARG A 93 6.154 -2.979 -3.672 1.00 1.00 C ATOM 313 C ARG A 93 5.944 -3.698 -5.006 1.00 1.00 C ATOM 314 O ARG A 93 5.158 -3.252 -5.840 1.00 1.00 O ATOM 315 CB ARG A 93 6.926 -1.682 -3.916 1.00 1.00 C ATOM 316 CG ARG A 93 7.225 -0.966 -2.598 1.00 1.00 C ATOM 317 CD ARG A 93 6.080 -0.027 -2.211 1.00 1.00 C ATOM 318 NE ARG A 93 5.883 0.992 -3.267 1.00 1.00 N ATOM 319 CZ ARG A 93 6.754 1.988 -3.531 1.00 1.00 C ATOM 320 NH1 ARG A 93 7.894 2.108 -2.817 1.00 1.00 N ATOM 321 NH2 ARG A 93 6.477 2.842 -4.497 1.00 1.00 N ATOM 0 H ARG A 93 7.861 -3.925 -2.912 1.00 1.00 H new ATOM 0 HA ARG A 93 5.188 -2.735 -3.231 1.00 1.00 H new ATOM 0 HB2 ARG A 93 7.859 -1.902 -4.434 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.347 -1.027 -4.567 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.380 -1.701 -1.808 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.150 -0.398 -2.691 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.162 -0.598 -2.069 1.00 1.00 H new ATOM 0 HD3 ARG A 93 6.303 0.460 -1.261 1.00 1.00 H new ATOM 0 HE ARG A 93 5.035 0.938 -3.831 1.00 1.00 H new ATOM 0 HH11 ARG A 93 8.102 1.443 -2.072 1.00 1.00 H new ATOM 0 HH12 ARG A 93 8.547 2.864 -3.023 1.00 1.00 H new ATOM 0 HH21 ARG A 93 5.614 2.744 -5.032 1.00 1.00 H new ATOM 0 HH22 ARG A 93 7.125 3.600 -4.709 1.00 1.00 H new ATOM 330 N THR A 94 6.662 -4.800 -5.167 1.00 1.00 N ATOM 331 CA THR A 94 6.565 -5.586 -6.386 1.00 1.00 C ATOM 332 C THR A 94 6.392 -7.069 -6.052 1.00 1.00 C ATOM 333 O THR A 94 6.785 -7.517 -4.976 1.00 1.00 O ATOM 334 CB THR A 94 7.804 -5.295 -7.236 1.00 1.00 C ATOM 335 OG1 THR A 94 8.894 -5.690 -6.407 1.00 1.00 O ATOM 336 CG2 THR A 94 8.025 -3.797 -7.454 1.00 1.00 C ATOM 0 H THR A 94 7.314 -5.167 -4.474 1.00 1.00 H new ATOM 0 HA THR A 94 5.684 -5.311 -6.965 1.00 1.00 H new ATOM 0 HB THR A 94 7.707 -5.792 -8.201 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.384 -6.422 -6.837 1.00 1.00 H new ATOM 0 HG21 THR A 94 8.916 -3.646 -8.063 1.00 1.00 H new ATOM 0 HG22 THR A 94 7.161 -3.372 -7.964 1.00 1.00 H new ATOM 0 HG23 THR A 94 8.156 -3.304 -6.490 1.00 1.00 H new ATOM 344 N PRO A 95 5.787 -7.809 -7.019 1.00 1.00 N ATOM 345 CA PRO A 95 5.557 -9.232 -6.839 1.00 1.00 C ATOM 346 C PRO A 95 6.857 -10.022 -6.998 1.00 1.00 C ATOM 347 O PRO A 95 7.001 -11.108 -6.438 1.00 1.00 O ATOM 348 CB PRO A 95 4.510 -9.596 -7.878 1.00 1.00 C ATOM 349 CG PRO A 95 4.532 -8.475 -8.903 1.00 1.00 C ATOM 350 CD PRO A 95 5.309 -7.312 -8.306 1.00 1.00 C ATOM 0 HA PRO A 95 5.206 -9.478 -5.837 1.00 1.00 H new ATOM 0 HB2 PRO A 95 4.738 -10.555 -8.343 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.524 -9.689 -7.423 1.00 1.00 H new ATOM 0 HG2 PRO A 95 5.000 -8.812 -9.828 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.517 -8.167 -9.154 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.138 -7.017 -8.950 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.675 -6.434 -8.181 1.00 1.00 H new ATOM 355 N SER A 96 7.772 -9.447 -7.765 1.00 1.00 N ATOM 356 CA SER A 96 9.056 -10.084 -8.006 1.00 1.00 C ATOM 357 C SER A 96 10.141 -9.022 -8.185 1.00 1.00 C ATOM 358 O SER A 96 9.855 -7.825 -8.164 1.00 1.00 O ATOM 359 CB SER A 96 8.997 -10.995 -9.233 1.00 1.00 C ATOM 360 OG SER A 96 9.403 -12.327 -8.928 1.00 1.00 O ATOM 0 H SER A 96 7.650 -8.546 -8.228 1.00 1.00 H new ATOM 0 HA SER A 96 9.300 -10.701 -7.141 1.00 1.00 H new ATOM 0 HB2 SER A 96 7.981 -11.007 -9.627 1.00 1.00 H new ATOM 0 HB3 SER A 96 9.638 -10.591 -10.016 1.00 1.00 H new ATOM 0 HG SER A 96 9.350 -12.878 -9.736 1.00 1.00 H new ATOM 365 N PRO A 97 11.399 -9.509 -8.363 1.00 1.00 N ATOM 366 CA PRO A 97 12.529 -8.615 -8.547 1.00 1.00 C ATOM 367 C PRO A 97 12.528 -8.010 -9.951 1.00 1.00 C ATOM 368 O PRO A 97 12.722 -6.806 -10.114 1.00 1.00 O ATOM 369 CB PRO A 97 13.755 -9.468 -8.269 1.00 1.00 C ATOM 370 CG PRO A 97 13.296 -10.912 -8.396 1.00 1.00 C ATOM 371 CD PRO A 97 11.777 -10.918 -8.394 1.00 1.00 C ATOM 0 HA PRO A 97 12.498 -7.756 -7.877 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.553 -9.248 -8.978 1.00 1.00 H new ATOM 0 HB3 PRO A 97 14.151 -9.270 -7.273 1.00 1.00 H new ATOM 0 HG2 PRO A 97 13.679 -11.355 -9.316 1.00 1.00 H new ATOM 0 HG3 PRO A 97 13.682 -11.509 -7.570 1.00 1.00 H new ATOM 0 HD2 PRO A 97 11.382 -11.414 -9.281 1.00 1.00 H new ATOM 0 HD3 PRO A 97 11.385 -11.452 -7.529 1.00 1.00 H new ATOM 376 N ASP A 98 12.306 -8.873 -10.932 1.00 1.00 N ATOM 377 CA ASP A 98 12.277 -8.440 -12.319 1.00 1.00 C ATOM 378 C ASP A 98 10.829 -8.167 -12.733 1.00 1.00 C ATOM 379 O ASP A 98 10.455 -8.396 -13.882 1.00 1.00 O ATOM 380 CB ASP A 98 12.838 -9.519 -13.246 1.00 1.00 C ATOM 381 CG ASP A 98 14.211 -10.063 -12.846 1.00 1.00 C ATOM 382 OD1 ASP A 98 15.251 -9.469 -13.166 1.00 1.00 O ATOM 383 OD2 ASP A 98 14.186 -11.161 -12.170 1.00 1.00 O ATOM 0 H ASP A 98 12.144 -9.871 -10.794 1.00 1.00 H new ATOM 0 HA ASP A 98 12.887 -7.540 -12.404 1.00 1.00 H new ATOM 0 HB2 ASP A 98 12.132 -10.348 -13.283 1.00 1.00 H new ATOM 0 HB3 ASP A 98 12.905 -9.112 -14.255 1.00 1.00 H new ATOM 388 N ALA A 99 10.054 -7.681 -11.774 1.00 1.00 N ATOM 389 CA ALA A 99 8.655 -7.376 -12.024 1.00 1.00 C ATOM 390 C ALA A 99 8.416 -5.882 -11.797 1.00 1.00 C ATOM 391 O ALA A 99 9.108 -5.254 -10.997 1.00 1.00 O ATOM 392 CB ALA A 99 7.773 -8.250 -11.131 1.00 1.00 C ATOM 0 H ALA A 99 10.368 -7.491 -10.822 1.00 1.00 H new ATOM 0 HA ALA A 99 8.392 -7.599 -13.058 1.00 1.00 H new ATOM 0 HB1 ALA A 99 6.724 -8.021 -11.319 1.00 1.00 H new ATOM 0 HB2 ALA A 99 7.960 -9.301 -11.352 1.00 1.00 H new ATOM 0 HB3 ALA A 99 8.006 -8.052 -10.085 1.00 1.00 H new ATOM 398 N LYS A 100 7.434 -5.356 -12.514 1.00 1.00 N ATOM 399 CA LYS A 100 7.094 -3.948 -12.400 1.00 1.00 C ATOM 400 C LYS A 100 6.524 -3.677 -11.007 1.00 1.00 C ATOM 401 O LYS A 100 6.193 -4.608 -10.275 1.00 1.00 O ATOM 402 CB LYS A 100 6.163 -3.528 -13.538 1.00 1.00 C ATOM 403 CG LYS A 100 6.513 -4.263 -14.834 1.00 1.00 C ATOM 404 CD LYS A 100 6.047 -3.471 -16.057 1.00 1.00 C ATOM 405 CE LYS A 100 4.603 -3.825 -16.422 1.00 1.00 C ATOM 406 NZ LYS A 100 4.344 -3.541 -17.851 1.00 1.00 N ATOM 0 H LYS A 100 6.862 -5.880 -13.177 1.00 1.00 H new ATOM 0 HA LYS A 100 7.986 -3.331 -12.505 1.00 1.00 H new ATOM 0 HB2 LYS A 100 5.130 -3.740 -13.264 1.00 1.00 H new ATOM 0 HB3 LYS A 100 6.237 -2.452 -13.695 1.00 1.00 H new ATOM 0 HG2 LYS A 100 7.590 -4.421 -14.887 1.00 1.00 H new ATOM 0 HG3 LYS A 100 6.046 -5.248 -14.835 1.00 1.00 H new ATOM 0 HD2 LYS A 100 6.123 -2.403 -15.854 1.00 1.00 H new ATOM 0 HD3 LYS A 100 6.702 -3.682 -16.902 1.00 1.00 H new ATOM 0 HE2 LYS A 100 4.418 -4.879 -16.215 1.00 1.00 H new ATOM 0 HE3 LYS A 100 3.914 -3.253 -15.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 3.360 -3.787 -18.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 4.501 -2.530 -18.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 4.989 -4.106 -18.440 1.00 1.00 H new ATOM 415 N ALA A 101 6.427 -2.396 -10.681 1.00 1.00 N ATOM 416 CA ALA A 101 5.902 -1.990 -9.389 1.00 1.00 C ATOM 417 C ALA A 101 4.374 -2.018 -9.432 1.00 1.00 C ATOM 418 O ALA A 101 3.766 -1.514 -10.375 1.00 1.00 O ATOM 419 CB ALA A 101 6.450 -0.608 -9.026 1.00 1.00 C ATOM 0 H ALA A 101 6.703 -1.626 -11.290 1.00 1.00 H new ATOM 0 HA ALA A 101 6.222 -2.682 -8.611 1.00 1.00 H new ATOM 0 HB1 ALA A 101 6.056 -0.303 -8.056 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.538 -0.649 -8.979 1.00 1.00 H new ATOM 0 HB3 ALA A 101 6.147 0.114 -9.784 1.00 1.00 H new ATOM 425 N PHE A 102 3.794 -2.613 -8.399 1.00 1.00 N ATOM 426 CA PHE A 102 2.348 -2.714 -8.307 1.00 1.00 C ATOM 427 C PHE A 102 1.693 -1.338 -8.444 1.00 1.00 C ATOM 428 O PHE A 102 0.659 -1.201 -9.097 1.00 1.00 O ATOM 429 CB PHE A 102 2.026 -3.284 -6.924 1.00 1.00 C ATOM 430 CG PHE A 102 1.998 -4.812 -6.872 1.00 1.00 C ATOM 431 CD1 PHE A 102 1.007 -5.497 -7.503 1.00 1.00 C ATOM 432 CD2 PHE A 102 2.966 -5.488 -6.195 1.00 1.00 C ATOM 433 CE1 PHE A 102 0.981 -6.916 -7.454 1.00 1.00 C ATOM 434 CE2 PHE A 102 2.941 -6.907 -6.147 1.00 1.00 C ATOM 435 CZ PHE A 102 1.949 -7.591 -6.778 1.00 1.00 C ATOM 0 H PHE A 102 4.301 -3.030 -7.618 1.00 1.00 H new ATOM 0 HA PHE A 102 1.968 -3.349 -9.107 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.766 -2.920 -6.211 1.00 1.00 H new ATOM 0 HB3 PHE A 102 1.057 -2.902 -6.601 1.00 1.00 H new ATOM 0 HD1 PHE A 102 0.239 -4.961 -8.042 1.00 1.00 H new ATOM 0 HD2 PHE A 102 3.754 -4.945 -5.694 1.00 1.00 H new ATOM 0 HE1 PHE A 102 0.192 -7.459 -7.954 1.00 1.00 H new ATOM 0 HE2 PHE A 102 3.709 -7.443 -5.610 1.00 1.00 H new ATOM 0 HZ PHE A 102 1.930 -8.670 -6.742 1.00 1.00 H new ATOM 444 N ILE A 103 2.321 -0.354 -7.818 1.00 1.00 N ATOM 445 CA ILE A 103 1.813 1.006 -7.861 1.00 1.00 C ATOM 446 C ILE A 103 2.962 1.966 -8.180 1.00 1.00 C ATOM 447 O ILE A 103 4.021 1.899 -7.560 1.00 1.00 O ATOM 448 CB ILE A 103 1.071 1.343 -6.566 1.00 1.00 C ATOM 449 CG1 ILE A 103 -0.161 0.453 -6.392 1.00 1.00 C ATOM 450 CG2 ILE A 103 0.719 2.830 -6.507 1.00 1.00 C ATOM 451 CD1 ILE A 103 -1.177 0.701 -7.510 1.00 1.00 C ATOM 0 H ILE A 103 3.178 -0.472 -7.278 1.00 1.00 H new ATOM 0 HA ILE A 103 1.078 1.112 -8.659 1.00 1.00 H new ATOM 0 HB ILE A 103 1.736 1.137 -5.727 1.00 1.00 H new ATOM 0 HG12 ILE A 103 0.139 -0.595 -6.394 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.623 0.650 -5.425 1.00 1.00 H new ATOM 0 HG21 ILE A 103 0.192 3.043 -5.577 1.00 1.00 H new ATOM 0 HG22 ILE A 103 1.633 3.422 -6.550 1.00 1.00 H new ATOM 0 HG23 ILE A 103 0.080 3.087 -7.352 1.00 1.00 H new ATOM 0 HD11 ILE A 103 -2.044 0.056 -7.364 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -1.493 1.744 -7.490 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.719 0.480 -8.474 1.00 1.00 H new ATOM 462 N GLU A 104 2.711 2.836 -9.148 1.00 1.00 N ATOM 463 CA GLU A 104 3.712 3.807 -9.557 1.00 1.00 C ATOM 464 C GLU A 104 3.319 5.206 -9.077 1.00 1.00 C ATOM 465 O GLU A 104 2.291 5.743 -9.492 1.00 1.00 O ATOM 466 CB GLU A 104 3.911 3.783 -11.074 1.00 1.00 C ATOM 467 CG GLU A 104 5.177 4.545 -11.472 1.00 1.00 C ATOM 468 CD GLU A 104 5.366 4.538 -12.991 1.00 1.00 C ATOM 469 OE1 GLU A 104 4.772 3.701 -13.685 1.00 1.00 O ATOM 470 OE2 GLU A 104 6.165 5.443 -13.444 1.00 1.00 O ATOM 0 H GLU A 104 1.830 2.889 -9.660 1.00 1.00 H new ATOM 0 HA GLU A 104 4.662 3.539 -9.095 1.00 1.00 H new ATOM 0 HB2 GLU A 104 3.979 2.751 -11.419 1.00 1.00 H new ATOM 0 HB3 GLU A 104 3.045 4.227 -11.565 1.00 1.00 H new ATOM 0 HG2 GLU A 104 5.115 5.573 -11.114 1.00 1.00 H new ATOM 0 HG3 GLU A 104 6.044 4.092 -10.992 1.00 1.00 H new ATOM 476 N VAL A 105 4.157 5.758 -8.212 1.00 1.00 N ATOM 477 CA VAL A 105 3.910 7.084 -7.672 1.00 1.00 C ATOM 478 C VAL A 105 3.373 7.990 -8.782 1.00 1.00 C ATOM 479 O VAL A 105 4.069 8.261 -9.759 1.00 1.00 O ATOM 480 CB VAL A 105 5.182 7.628 -7.020 1.00 1.00 C ATOM 481 CG1 VAL A 105 4.938 9.010 -6.409 1.00 1.00 C ATOM 482 CG2 VAL A 105 5.722 6.653 -5.973 1.00 1.00 C ATOM 0 H VAL A 105 5.008 5.311 -7.872 1.00 1.00 H new ATOM 0 HA VAL A 105 3.152 7.043 -6.890 1.00 1.00 H new ATOM 0 HB VAL A 105 5.937 7.735 -7.799 1.00 1.00 H new ATOM 0 HG11 VAL A 105 5.858 9.373 -5.952 1.00 1.00 H new ATOM 0 HG12 VAL A 105 4.622 9.702 -7.189 1.00 1.00 H new ATOM 0 HG13 VAL A 105 4.159 8.940 -5.650 1.00 1.00 H new ATOM 0 HG21 VAL A 105 6.627 7.064 -5.525 1.00 1.00 H new ATOM 0 HG22 VAL A 105 4.971 6.499 -5.198 1.00 1.00 H new ATOM 0 HG23 VAL A 105 5.954 5.700 -6.449 1.00 1.00 H new ATOM 492 N GLY A 106 2.138 8.432 -8.594 1.00 1.00 N ATOM 493 CA GLY A 106 1.499 9.303 -9.567 1.00 1.00 C ATOM 494 C GLY A 106 0.378 8.568 -10.306 1.00 1.00 C ATOM 495 O GLY A 106 0.046 8.914 -11.439 1.00 1.00 O ATOM 0 H GLY A 106 1.563 8.204 -7.783 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.094 10.181 -9.064 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.239 9.659 -10.283 1.00 1.00 H new ATOM 499 N GLN A 107 -0.173 7.568 -9.635 1.00 1.00 N ATOM 500 CA GLN A 107 -1.250 6.782 -10.214 1.00 1.00 C ATOM 501 C GLN A 107 -2.370 6.582 -9.191 1.00 1.00 C ATOM 502 O GLN A 107 -2.140 6.677 -7.987 1.00 1.00 O ATOM 503 CB GLN A 107 -0.731 5.438 -10.729 1.00 1.00 C ATOM 504 CG GLN A 107 -1.406 5.059 -12.049 1.00 1.00 C ATOM 505 CD GLN A 107 -0.599 3.991 -12.790 1.00 1.00 C ATOM 506 OE1 GLN A 107 0.072 4.254 -13.775 1.00 1.00 O ATOM 507 NE2 GLN A 107 -0.702 2.773 -12.264 1.00 1.00 N ATOM 0 H GLN A 107 0.106 7.284 -8.696 1.00 1.00 H new ATOM 0 HA GLN A 107 -1.656 7.328 -11.066 1.00 1.00 H new ATOM 0 HB2 GLN A 107 0.348 5.491 -10.871 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.917 4.663 -9.985 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -2.413 4.689 -11.854 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -1.508 5.944 -12.677 1.00 1.00 H new ATOM 0 HE21 GLN A 107 -1.281 2.621 -11.438 1.00 1.00 H new ATOM 0 HE22 GLN A 107 -0.202 1.991 -12.687 1.00 1.00 H new ATOM 514 N LYS A 108 -3.559 6.311 -9.709 1.00 1.00 N ATOM 515 CA LYS A 108 -4.716 6.097 -8.856 1.00 1.00 C ATOM 516 C LYS A 108 -4.953 4.594 -8.693 1.00 1.00 C ATOM 517 O LYS A 108 -4.338 3.786 -9.387 1.00 1.00 O ATOM 518 CB LYS A 108 -5.928 6.855 -9.397 1.00 1.00 C ATOM 519 CG LYS A 108 -5.558 8.295 -9.758 1.00 1.00 C ATOM 520 CD LYS A 108 -6.680 9.262 -9.375 1.00 1.00 C ATOM 521 CE LYS A 108 -7.760 9.305 -10.459 1.00 1.00 C ATOM 522 NZ LYS A 108 -7.250 9.982 -11.673 1.00 1.00 N ATOM 0 H LYS A 108 -3.746 6.235 -10.709 1.00 1.00 H new ATOM 0 HA LYS A 108 -4.535 6.502 -7.860 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -6.317 6.344 -10.278 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -6.723 6.856 -8.651 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -4.639 8.578 -9.245 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -5.361 8.366 -10.828 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -7.123 8.954 -8.428 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -6.269 10.261 -9.226 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -8.076 8.291 -10.706 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -8.639 9.830 -10.085 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -8.050 10.335 -12.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -6.643 10.780 -11.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -6.698 9.308 -12.241 1.00 1.00 H new ATOM 531 N VAL A 109 -5.847 4.265 -7.772 1.00 1.00 N ATOM 532 CA VAL A 109 -6.173 2.874 -7.509 1.00 1.00 C ATOM 533 C VAL A 109 -7.615 2.778 -7.006 1.00 1.00 C ATOM 534 O VAL A 109 -8.104 3.687 -6.337 1.00 1.00 O ATOM 535 CB VAL A 109 -5.158 2.274 -6.532 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.778 2.151 -7.182 1.00 1.00 C ATOM 537 CG2 VAL A 109 -5.087 3.095 -5.243 1.00 1.00 C ATOM 0 H VAL A 109 -6.356 4.938 -7.199 1.00 1.00 H new ATOM 0 HA VAL A 109 -6.109 2.287 -8.425 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.495 1.271 -6.271 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -3.076 1.722 -6.467 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.844 1.505 -8.057 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.429 3.138 -7.485 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.359 2.648 -4.566 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.785 4.116 -5.478 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -6.067 3.108 -4.765 1.00 1.00 H new ATOM 547 N ASN A 110 -8.254 1.670 -7.348 1.00 1.00 N ATOM 548 CA ASN A 110 -9.631 1.445 -6.939 1.00 1.00 C ATOM 549 C ASN A 110 -9.745 0.066 -6.285 1.00 1.00 C ATOM 550 O ASN A 110 -9.050 -0.870 -6.676 1.00 1.00 O ATOM 551 CB ASN A 110 -10.575 1.475 -8.143 1.00 1.00 C ATOM 552 CG ASN A 110 -12.019 1.205 -7.715 1.00 1.00 C ATOM 553 OD1 ASN A 110 -12.619 1.949 -6.958 1.00 1.00 O ATOM 554 ND2 ASN A 110 -12.540 0.099 -8.241 1.00 1.00 N ATOM 0 H ASN A 110 -7.845 0.918 -7.903 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.909 2.235 -6.242 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -10.513 2.446 -8.634 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -10.263 0.728 -8.873 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -13.498 -0.170 -8.017 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -11.981 -0.479 -8.869 1.00 1.00 H new ATOM 560 N VAL A 111 -10.627 -0.014 -5.299 1.00 1.00 N ATOM 561 CA VAL A 111 -10.841 -1.262 -4.587 1.00 1.00 C ATOM 562 C VAL A 111 -10.807 -2.425 -5.580 1.00 1.00 C ATOM 563 O VAL A 111 -11.731 -2.595 -6.374 1.00 1.00 O ATOM 564 CB VAL A 111 -12.146 -1.193 -3.791 1.00 1.00 C ATOM 565 CG1 VAL A 111 -12.702 -2.595 -3.528 1.00 1.00 C ATOM 566 CG2 VAL A 111 -11.951 -0.426 -2.483 1.00 1.00 C ATOM 0 H VAL A 111 -11.201 0.765 -4.977 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.043 -1.430 -3.864 1.00 1.00 H new ATOM 0 HB VAL A 111 -12.876 -0.650 -4.391 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -13.630 -2.518 -2.961 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -12.898 -3.093 -4.478 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -11.975 -3.174 -2.958 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -12.894 -0.392 -1.937 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -11.198 -0.928 -1.876 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -11.622 0.590 -2.702 1.00 1.00 H new ATOM 576 N GLY A 112 -9.731 -3.195 -5.505 1.00 1.00 N ATOM 577 CA GLY A 112 -9.564 -4.336 -6.389 1.00 1.00 C ATOM 578 C GLY A 112 -8.176 -4.333 -7.031 1.00 1.00 C ATOM 579 O GLY A 112 -7.745 -5.341 -7.590 1.00 1.00 O ATOM 0 H GLY A 112 -8.966 -3.051 -4.846 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -9.707 -5.259 -5.828 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.328 -4.314 -7.166 1.00 1.00 H new ATOM 583 N ASP A 113 -7.514 -3.191 -6.931 1.00 1.00 N ATOM 584 CA ASP A 113 -6.184 -3.043 -7.495 1.00 1.00 C ATOM 585 C ASP A 113 -5.141 -3.271 -6.400 1.00 1.00 C ATOM 586 O ASP A 113 -5.254 -2.719 -5.306 1.00 1.00 O ATOM 587 CB ASP A 113 -5.977 -1.636 -8.060 1.00 1.00 C ATOM 588 CG ASP A 113 -6.302 -1.481 -9.547 1.00 1.00 C ATOM 589 OD1 ASP A 113 -7.462 -1.610 -9.964 1.00 1.00 O ATOM 590 OD2 ASP A 113 -5.290 -1.212 -10.301 1.00 1.00 O ATOM 0 H ASP A 113 -7.875 -2.357 -6.467 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.076 -3.773 -8.298 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -6.595 -0.939 -7.494 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -4.939 -1.345 -7.898 1.00 1.00 H new ATOM 595 N THR A 114 -4.149 -4.085 -6.731 1.00 1.00 N ATOM 596 CA THR A 114 -3.088 -4.394 -5.788 1.00 1.00 C ATOM 597 C THR A 114 -2.419 -3.108 -5.299 1.00 1.00 C ATOM 598 O THR A 114 -2.232 -2.168 -6.071 1.00 1.00 O ATOM 599 CB THR A 114 -2.118 -5.362 -6.467 1.00 1.00 C ATOM 600 OG1 THR A 114 -2.932 -6.476 -6.824 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.093 -5.946 -5.493 1.00 1.00 C ATOM 0 H THR A 114 -4.058 -4.540 -7.639 1.00 1.00 H new ATOM 0 HA THR A 114 -3.482 -4.879 -4.895 1.00 1.00 H new ATOM 0 HB THR A 114 -1.598 -4.846 -7.274 1.00 1.00 H new ATOM 0 HG1 THR A 114 -2.382 -7.152 -7.272 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.430 -6.626 -6.027 1.00 1.00 H new ATOM 0 HG22 THR A 114 -0.507 -5.138 -5.054 1.00 1.00 H new ATOM 0 HG23 THR A 114 -1.611 -6.490 -4.703 1.00 1.00 H new ATOM 609 N LEU A 115 -2.077 -3.106 -4.019 1.00 1.00 N ATOM 610 CA LEU A 115 -1.432 -1.949 -3.418 1.00 1.00 C ATOM 611 C LEU A 115 0.023 -2.293 -3.094 1.00 1.00 C ATOM 612 O LEU A 115 0.900 -1.435 -3.177 1.00 1.00 O ATOM 613 CB LEU A 115 -2.232 -1.459 -2.209 1.00 1.00 C ATOM 614 CG LEU A 115 -2.381 0.058 -2.075 1.00 1.00 C ATOM 615 CD1 LEU A 115 -3.633 0.553 -2.803 1.00 1.00 C ATOM 616 CD2 LEU A 115 -2.369 0.481 -0.605 1.00 1.00 C ATOM 0 H LEU A 115 -2.234 -3.886 -3.381 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.414 -1.115 -4.119 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -3.228 -1.900 -2.254 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -1.756 -1.839 -1.305 1.00 1.00 H new ATOM 0 HG LEU A 115 -1.523 0.529 -2.554 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -3.715 1.634 -2.692 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -3.562 0.301 -3.861 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -4.515 0.076 -2.375 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -2.476 1.564 -0.537 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -3.196 0.001 -0.081 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -1.426 0.180 -0.148 1.00 1.00 H new ATOM 627 N CYS A 116 0.234 -3.549 -2.733 1.00 1.00 N ATOM 628 CA CYS A 116 1.568 -4.017 -2.397 1.00 1.00 C ATOM 629 C CYS A 116 1.457 -5.448 -1.865 1.00 1.00 C ATOM 630 O CYS A 116 0.382 -6.045 -1.901 1.00 1.00 O ATOM 631 CB CYS A 116 2.258 -3.088 -1.396 1.00 1.00 C ATOM 632 SG CYS A 116 1.037 -2.450 -0.191 1.00 1.00 S ATOM 0 H CYS A 116 -0.496 -4.258 -2.666 1.00 1.00 H new ATOM 0 HA CYS A 116 2.193 -4.010 -3.290 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.050 -3.626 -0.874 1.00 1.00 H new ATOM 0 HB3 CYS A 116 2.730 -2.258 -1.923 1.00 1.00 H new ATOM 0 HG CYS A 116 1.580 -2.395 0.989 1.00 1.00 H new ATOM 637 N ILE A 117 2.581 -5.955 -1.383 1.00 1.00 N ATOM 638 CA ILE A 117 2.624 -7.304 -0.844 1.00 1.00 C ATOM 639 C ILE A 117 3.187 -7.263 0.577 1.00 1.00 C ATOM 640 O ILE A 117 3.880 -6.316 0.947 1.00 1.00 O ATOM 641 CB ILE A 117 3.393 -8.233 -1.785 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.890 -8.096 -3.223 1.00 1.00 C ATOM 643 CG2 ILE A 117 3.337 -9.681 -1.293 1.00 1.00 C ATOM 644 CD1 ILE A 117 3.298 -9.307 -4.065 1.00 1.00 C ATOM 0 H ILE A 117 3.470 -5.456 -1.354 1.00 1.00 H new ATOM 0 HA ILE A 117 1.619 -7.720 -0.776 1.00 1.00 H new ATOM 0 HB ILE A 117 4.441 -7.932 -1.781 1.00 1.00 H new ATOM 0 HG12 ILE A 117 1.805 -7.997 -3.224 1.00 1.00 H new ATOM 0 HG13 ILE A 117 3.294 -7.187 -3.668 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.891 -10.320 -1.980 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.781 -9.745 -0.299 1.00 1.00 H new ATOM 0 HG23 ILE A 117 2.299 -10.010 -1.249 1.00 1.00 H new ATOM 0 HD11 ILE A 117 2.928 -9.184 -5.083 1.00 1.00 H new ATOM 0 HD12 ILE A 117 4.385 -9.389 -4.082 1.00 1.00 H new ATOM 0 HD13 ILE A 117 2.872 -10.212 -3.631 1.00 1.00 H new ATOM 655 N VAL A 118 2.870 -8.302 1.335 1.00 1.00 N ATOM 656 CA VAL A 118 3.337 -8.397 2.709 1.00 1.00 C ATOM 657 C VAL A 118 3.666 -9.857 3.030 1.00 1.00 C ATOM 658 O VAL A 118 2.823 -10.737 2.865 1.00 1.00 O ATOM 659 CB VAL A 118 2.299 -7.795 3.657 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.632 -8.123 5.114 1.00 1.00 C ATOM 661 CG2 VAL A 118 2.177 -6.284 3.449 1.00 1.00 C ATOM 0 H VAL A 118 2.296 -9.086 1.025 1.00 1.00 H new ATOM 0 HA VAL A 118 4.252 -7.820 2.843 1.00 1.00 H new ATOM 0 HB VAL A 118 1.333 -8.244 3.425 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.878 -7.683 5.767 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.644 -9.204 5.250 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.611 -7.715 5.364 1.00 1.00 H new ATOM 0 HG21 VAL A 118 1.432 -5.881 4.136 1.00 1.00 H new ATOM 0 HG22 VAL A 118 3.140 -5.811 3.641 1.00 1.00 H new ATOM 0 HG23 VAL A 118 1.871 -6.082 2.423 1.00 1.00 H new ATOM 671 N GLU A 119 4.893 -10.066 3.485 1.00 1.00 N ATOM 672 CA GLU A 119 5.343 -11.404 3.833 1.00 1.00 C ATOM 673 C GLU A 119 4.901 -11.760 5.253 1.00 1.00 C ATOM 674 O GLU A 119 5.184 -11.026 6.199 1.00 1.00 O ATOM 675 CB GLU A 119 6.861 -11.526 3.684 1.00 1.00 C ATOM 676 CG GLU A 119 7.253 -12.925 3.202 1.00 1.00 C ATOM 677 CD GLU A 119 8.644 -12.915 2.564 1.00 1.00 C ATOM 678 OE1 GLU A 119 9.533 -12.184 3.028 1.00 1.00 O ATOM 679 OE2 GLU A 119 8.785 -13.702 1.553 1.00 1.00 O ATOM 0 H GLU A 119 5.589 -9.333 3.621 1.00 1.00 H new ATOM 0 HA GLU A 119 4.884 -12.112 3.143 1.00 1.00 H new ATOM 0 HB2 GLU A 119 7.222 -10.779 2.977 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.342 -11.319 4.640 1.00 1.00 H new ATOM 0 HG2 GLU A 119 7.239 -13.620 4.042 1.00 1.00 H new ATOM 0 HG3 GLU A 119 6.520 -13.283 2.479 1.00 1.00 H new ATOM 685 N ALA A 120 4.213 -12.888 5.358 1.00 1.00 N ATOM 686 CA ALA A 120 3.729 -13.352 6.648 1.00 1.00 C ATOM 687 C ALA A 120 3.150 -14.759 6.494 1.00 1.00 C ATOM 688 O ALA A 120 3.078 -15.288 5.386 1.00 1.00 O ATOM 689 CB ALA A 120 2.704 -12.357 7.196 1.00 1.00 C ATOM 0 H ALA A 120 3.979 -13.494 4.571 1.00 1.00 H new ATOM 0 HA ALA A 120 4.546 -13.408 7.367 1.00 1.00 H new ATOM 0 HB1 ALA A 120 2.341 -12.704 8.163 1.00 1.00 H new ATOM 0 HB2 ALA A 120 3.172 -11.380 7.314 1.00 1.00 H new ATOM 0 HB3 ALA A 120 1.868 -12.277 6.502 1.00 1.00 H new ATOM 695 N MET A 121 2.752 -15.327 7.623 1.00 1.00 N ATOM 696 CA MET A 121 2.181 -16.664 7.628 1.00 1.00 C ATOM 697 C MET A 121 2.965 -17.598 6.702 1.00 1.00 C ATOM 698 O MET A 121 2.375 -18.330 5.909 1.00 1.00 O ATOM 699 CB MET A 121 0.723 -16.598 7.171 1.00 1.00 C ATOM 700 CG MET A 121 0.618 -16.057 5.743 1.00 1.00 C ATOM 701 SD MET A 121 -1.045 -16.268 5.130 1.00 1.00 S ATOM 702 CE MET A 121 -1.004 -18.003 4.715 1.00 1.00 C ATOM 0 H MET A 121 2.813 -14.886 8.541 1.00 1.00 H new ATOM 0 HA MET A 121 2.235 -17.059 8.643 1.00 1.00 H new ATOM 0 HB2 MET A 121 0.278 -17.592 7.221 1.00 1.00 H new ATOM 0 HB3 MET A 121 0.155 -15.960 7.848 1.00 1.00 H new ATOM 0 HG2 MET A 121 0.890 -15.002 5.724 1.00 1.00 H new ATOM 0 HG3 MET A 121 1.322 -16.579 5.095 1.00 1.00 H new ATOM 0 HE1 MET A 121 -1.328 -18.138 3.683 1.00 1.00 H new ATOM 0 HE2 MET A 121 0.012 -18.380 4.829 1.00 1.00 H new ATOM 0 HE3 MET A 121 -1.671 -18.552 5.379 1.00 1.00 H new ATOM 710 N LYS A 122 4.281 -17.541 6.835 1.00 1.00 N ATOM 711 CA LYS A 122 5.152 -18.372 6.021 1.00 1.00 C ATOM 712 C LYS A 122 4.613 -18.420 4.590 1.00 1.00 C ATOM 713 O LYS A 122 4.432 -19.497 4.026 1.00 1.00 O ATOM 714 CB LYS A 122 5.325 -19.752 6.659 1.00 1.00 C ATOM 715 CG LYS A 122 6.663 -20.376 6.261 1.00 1.00 C ATOM 716 CD LYS A 122 7.655 -20.337 7.425 1.00 1.00 C ATOM 717 CE LYS A 122 8.354 -21.687 7.596 1.00 1.00 C ATOM 718 NZ LYS A 122 7.593 -22.550 8.528 1.00 1.00 N ATOM 0 H LYS A 122 4.766 -16.932 7.494 1.00 1.00 H new ATOM 0 HA LYS A 122 6.152 -17.941 5.971 1.00 1.00 H new ATOM 0 HB2 LYS A 122 5.269 -19.665 7.744 1.00 1.00 H new ATOM 0 HB3 LYS A 122 4.509 -20.405 6.349 1.00 1.00 H new ATOM 0 HG2 LYS A 122 6.507 -21.408 5.946 1.00 1.00 H new ATOM 0 HG3 LYS A 122 7.078 -19.841 5.407 1.00 1.00 H new ATOM 0 HD2 LYS A 122 8.398 -19.559 7.248 1.00 1.00 H new ATOM 0 HD3 LYS A 122 7.132 -20.075 8.345 1.00 1.00 H new ATOM 0 HE2 LYS A 122 8.447 -22.180 6.628 1.00 1.00 H new ATOM 0 HE3 LYS A 122 9.365 -21.535 7.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 8.081 -23.462 8.633 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 7.526 -22.085 9.456 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 6.637 -22.710 8.151 1.00 1.00 H new ATOM 727 N MET A 123 4.370 -17.237 4.044 1.00 1.00 N ATOM 728 CA MET A 123 3.855 -17.129 2.689 1.00 1.00 C ATOM 729 C MET A 123 3.644 -15.666 2.297 1.00 1.00 C ATOM 730 O MET A 123 3.744 -14.774 3.137 1.00 1.00 O ATOM 731 CB MET A 123 2.526 -17.882 2.587 1.00 1.00 C ATOM 732 CG MET A 123 2.672 -19.136 1.722 1.00 1.00 C ATOM 733 SD MET A 123 2.766 -18.681 -0.002 1.00 1.00 S ATOM 734 CE MET A 123 4.221 -19.597 -0.485 1.00 1.00 C ATOM 0 H MET A 123 4.520 -16.345 4.515 1.00 1.00 H new ATOM 0 HA MET A 123 4.584 -17.566 2.007 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.184 -18.161 3.584 1.00 1.00 H new ATOM 0 HB3 MET A 123 1.765 -17.228 2.161 1.00 1.00 H new ATOM 0 HG2 MET A 123 3.568 -19.685 2.011 1.00 1.00 H new ATOM 0 HG3 MET A 123 1.824 -19.801 1.885 1.00 1.00 H new ATOM 0 HE1 MET A 123 4.425 -19.425 -1.542 1.00 1.00 H new ATOM 0 HE2 MET A 123 5.073 -19.265 0.108 1.00 1.00 H new ATOM 0 HE3 MET A 123 4.054 -20.661 -0.316 1.00 1.00 H new ATOM 742 N MET A 124 3.358 -15.465 1.019 1.00 1.00 N ATOM 743 CA MET A 124 3.133 -14.124 0.505 1.00 1.00 C ATOM 744 C MET A 124 1.685 -13.686 0.733 1.00 1.00 C ATOM 745 O MET A 124 0.753 -14.436 0.445 1.00 1.00 O ATOM 746 CB MET A 124 3.447 -14.091 -0.992 1.00 1.00 C ATOM 747 CG MET A 124 4.556 -13.083 -1.297 1.00 1.00 C ATOM 748 SD MET A 124 6.154 -13.859 -1.114 1.00 1.00 S ATOM 749 CE MET A 124 7.169 -12.417 -0.840 1.00 1.00 C ATOM 0 H MET A 124 3.277 -16.208 0.324 1.00 1.00 H new ATOM 0 HA MET A 124 3.789 -13.436 1.038 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.751 -15.083 -1.326 1.00 1.00 H new ATOM 0 HB3 MET A 124 2.548 -13.828 -1.550 1.00 1.00 H new ATOM 0 HG2 MET A 124 4.442 -12.701 -2.311 1.00 1.00 H new ATOM 0 HG3 MET A 124 4.478 -12.229 -0.624 1.00 1.00 H new ATOM 0 HE1 MET A 124 8.214 -12.718 -0.758 1.00 1.00 H new ATOM 0 HE2 MET A 124 7.054 -11.727 -1.676 1.00 1.00 H new ATOM 0 HE3 MET A 124 6.860 -11.924 0.082 1.00 1.00 H new ATOM 757 N ASN A 125 1.541 -12.474 1.246 1.00 1.00 N ATOM 758 CA ASN A 125 0.222 -11.927 1.516 1.00 1.00 C ATOM 759 C ASN A 125 0.056 -10.608 0.758 1.00 1.00 C ATOM 760 O ASN A 125 0.469 -9.554 1.242 1.00 1.00 O ATOM 761 CB ASN A 125 0.038 -11.640 3.007 1.00 1.00 C ATOM 762 CG ASN A 125 0.424 -12.858 3.850 1.00 1.00 C ATOM 763 OD1 ASN A 125 -0.396 -13.697 4.187 1.00 1.00 O ATOM 764 ND2 ASN A 125 1.712 -12.907 4.172 1.00 1.00 N ATOM 0 H ASN A 125 2.316 -11.854 1.482 1.00 1.00 H new ATOM 0 HA ASN A 125 -0.518 -12.661 1.196 1.00 1.00 H new ATOM 0 HB2 ASN A 125 0.650 -10.785 3.295 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -1.000 -11.370 3.204 1.00 1.00 H new ATOM 0 HD21 ASN A 125 2.068 -13.680 4.734 1.00 1.00 H new ATOM 0 HD22 ASN A 125 2.345 -12.172 3.857 1.00 1.00 H new ATOM 770 N GLN A 126 -0.546 -10.708 -0.418 1.00 1.00 N ATOM 771 CA GLN A 126 -0.770 -9.536 -1.246 1.00 1.00 C ATOM 772 C GLN A 126 -1.867 -8.659 -0.640 1.00 1.00 C ATOM 773 O GLN A 126 -2.721 -9.148 0.098 1.00 1.00 O ATOM 774 CB GLN A 126 -1.120 -9.937 -2.681 1.00 1.00 C ATOM 775 CG GLN A 126 0.138 -10.309 -3.469 1.00 1.00 C ATOM 776 CD GLN A 126 -0.064 -11.614 -4.242 1.00 1.00 C ATOM 777 OE1 GLN A 126 -0.060 -12.701 -3.688 1.00 1.00 O ATOM 778 NE2 GLN A 126 -0.241 -11.446 -5.549 1.00 1.00 N ATOM 0 H GLN A 126 -0.886 -11.583 -0.817 1.00 1.00 H new ATOM 0 HA GLN A 126 0.153 -8.958 -1.279 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -1.809 -10.782 -2.669 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -1.634 -9.114 -3.177 1.00 1.00 H new ATOM 0 HG2 GLN A 126 0.387 -9.506 -4.163 1.00 1.00 H new ATOM 0 HG3 GLN A 126 0.981 -10.414 -2.786 1.00 1.00 H new ATOM 0 HE21 GLN A 126 -0.233 -10.507 -5.948 1.00 1.00 H new ATOM 0 HE22 GLN A 126 -0.385 -12.256 -6.152 1.00 1.00 H new ATOM 785 N ILE A 127 -1.808 -7.378 -0.973 1.00 1.00 N ATOM 786 CA ILE A 127 -2.785 -6.428 -0.470 1.00 1.00 C ATOM 787 C ILE A 127 -3.582 -5.853 -1.643 1.00 1.00 C ATOM 788 O ILE A 127 -3.022 -5.182 -2.508 1.00 1.00 O ATOM 789 CB ILE A 127 -2.103 -5.362 0.390 1.00 1.00 C ATOM 790 CG1 ILE A 127 -1.031 -5.985 1.286 1.00 1.00 C ATOM 791 CG2 ILE A 127 -3.132 -4.567 1.196 1.00 1.00 C ATOM 792 CD1 ILE A 127 -1.665 -6.739 2.457 1.00 1.00 C ATOM 0 H ILE A 127 -1.098 -6.976 -1.585 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.498 -6.927 0.187 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.600 -4.658 -0.273 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -0.414 -6.667 0.701 1.00 1.00 H new ATOM 0 HG13 ILE A 127 -0.371 -5.205 1.666 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.621 -3.816 1.799 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -3.826 -4.075 0.515 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.683 -5.243 1.850 1.00 1.00 H new ATOM 0 HD11 ILE A 127 -0.881 -7.172 3.078 1.00 1.00 H new ATOM 0 HD12 ILE A 127 -2.261 -6.049 3.054 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -2.305 -7.534 2.074 1.00 1.00 H new ATOM 803 N GLU A 128 -4.876 -6.139 -1.635 1.00 1.00 N ATOM 804 CA GLU A 128 -5.755 -5.659 -2.687 1.00 1.00 C ATOM 805 C GLU A 128 -6.400 -4.333 -2.277 1.00 1.00 C ATOM 806 O GLU A 128 -7.388 -4.321 -1.544 1.00 1.00 O ATOM 807 CB GLU A 128 -6.819 -6.703 -3.032 1.00 1.00 C ATOM 808 CG GLU A 128 -7.612 -6.289 -4.273 1.00 1.00 C ATOM 809 CD GLU A 128 -8.119 -7.516 -5.034 1.00 1.00 C ATOM 810 OE1 GLU A 128 -9.291 -7.894 -4.887 1.00 1.00 O ATOM 811 OE2 GLU A 128 -7.249 -8.080 -5.800 1.00 1.00 O ATOM 0 H GLU A 128 -5.336 -6.697 -0.916 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.157 -5.488 -3.582 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -6.343 -7.668 -3.205 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -7.497 -6.829 -2.188 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -8.456 -5.665 -3.978 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -6.982 -5.686 -4.927 1.00 1.00 H new ATOM 817 N ALA A 129 -5.816 -3.250 -2.766 1.00 1.00 N ATOM 818 CA ALA A 129 -6.321 -1.923 -2.460 1.00 1.00 C ATOM 819 C ALA A 129 -6.796 -1.886 -1.005 1.00 1.00 C ATOM 820 O ALA A 129 -6.180 -2.495 -0.132 1.00 1.00 O ATOM 821 CB ALA A 129 -7.433 -1.560 -3.445 1.00 1.00 C ATOM 0 H ALA A 129 -4.996 -3.264 -3.373 1.00 1.00 H new ATOM 0 HA ALA A 129 -5.533 -1.178 -2.569 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -7.812 -0.564 -3.215 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -7.038 -1.572 -4.461 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -8.243 -2.284 -3.362 1.00 1.00 H new ATOM 827 N ASP A 130 -7.886 -1.166 -0.791 1.00 1.00 N ATOM 828 CA ASP A 130 -8.450 -1.041 0.543 1.00 1.00 C ATOM 829 C ASP A 130 -9.243 0.263 0.638 1.00 1.00 C ATOM 830 O ASP A 130 -10.143 0.389 1.466 1.00 1.00 O ATOM 831 CB ASP A 130 -7.349 -1.005 1.605 1.00 1.00 C ATOM 832 CG ASP A 130 -7.737 -0.312 2.914 1.00 1.00 C ATOM 833 OD1 ASP A 130 -8.886 -0.407 3.371 1.00 1.00 O ATOM 834 OD2 ASP A 130 -6.789 0.358 3.478 1.00 1.00 O ATOM 0 H ASP A 130 -8.394 -0.663 -1.518 1.00 1.00 H new ATOM 0 HA ASP A 130 -9.093 -1.904 0.719 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -7.047 -2.028 1.828 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -6.478 -0.499 1.188 1.00 1.00 H new ATOM 839 N LYS A 131 -8.880 1.203 -0.224 1.00 1.00 N ATOM 840 CA LYS A 131 -9.546 2.494 -0.248 1.00 1.00 C ATOM 841 C LYS A 131 -9.085 3.278 -1.479 1.00 1.00 C ATOM 842 O LYS A 131 -8.053 3.945 -1.444 1.00 1.00 O ATOM 843 CB LYS A 131 -9.325 3.236 1.072 1.00 1.00 C ATOM 844 CG LYS A 131 -10.410 4.292 1.296 1.00 1.00 C ATOM 845 CD LYS A 131 -9.879 5.452 2.140 1.00 1.00 C ATOM 846 CE LYS A 131 -11.027 6.305 2.682 1.00 1.00 C ATOM 847 NZ LYS A 131 -11.181 7.538 1.877 1.00 1.00 N ATOM 0 H LYS A 131 -8.133 1.096 -0.910 1.00 1.00 H new ATOM 0 HA LYS A 131 -10.625 2.365 -0.337 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -9.329 2.525 1.898 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -8.345 3.712 1.066 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -10.761 4.668 0.335 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -11.267 3.838 1.793 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -9.288 5.063 2.969 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -9.214 6.071 1.537 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -11.954 5.732 2.662 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -10.835 6.565 3.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -11.965 8.106 2.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -10.301 8.091 1.917 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -11.386 7.284 0.889 1.00 1.00 H new ATOM 856 N SER A 132 -9.874 3.171 -2.538 1.00 1.00 N ATOM 857 CA SER A 132 -9.561 3.861 -3.777 1.00 1.00 C ATOM 858 C SER A 132 -8.981 5.244 -3.473 1.00 1.00 C ATOM 859 O SER A 132 -9.469 5.945 -2.588 1.00 1.00 O ATOM 860 CB SER A 132 -10.799 3.988 -4.665 1.00 1.00 C ATOM 861 OG SER A 132 -10.494 4.582 -5.925 1.00 1.00 O ATOM 0 H SER A 132 -10.730 2.616 -2.563 1.00 1.00 H new ATOM 0 HA SER A 132 -8.819 3.273 -4.318 1.00 1.00 H new ATOM 0 HB2 SER A 132 -11.233 3.001 -4.825 1.00 1.00 H new ATOM 0 HB3 SER A 132 -11.552 4.588 -4.154 1.00 1.00 H new ATOM 0 HG SER A 132 -9.580 4.343 -6.187 1.00 1.00 H new ATOM 866 N GLY A 133 -7.948 5.596 -4.225 1.00 1.00 N ATOM 867 CA GLY A 133 -7.297 6.884 -4.048 1.00 1.00 C ATOM 868 C GLY A 133 -6.023 6.974 -4.890 1.00 1.00 C ATOM 869 O GLY A 133 -5.743 6.088 -5.695 1.00 1.00 O ATOM 0 H GLY A 133 -7.546 5.012 -4.958 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.982 7.684 -4.331 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -7.053 7.031 -2.996 1.00 1.00 H new ATOM 873 N THR A 134 -5.285 8.053 -4.674 1.00 1.00 N ATOM 874 CA THR A 134 -4.047 8.271 -5.403 1.00 1.00 C ATOM 875 C THR A 134 -2.848 8.178 -4.457 1.00 1.00 C ATOM 876 O THR A 134 -3.010 8.200 -3.239 1.00 1.00 O ATOM 877 CB THR A 134 -4.153 9.619 -6.120 1.00 1.00 C ATOM 878 OG1 THR A 134 -5.425 9.573 -6.760 1.00 1.00 O ATOM 879 CG2 THR A 134 -3.158 9.746 -7.276 1.00 1.00 C ATOM 0 H THR A 134 -5.521 8.786 -4.005 1.00 1.00 H new ATOM 0 HA THR A 134 -3.888 7.498 -6.155 1.00 1.00 H new ATOM 0 HB THR A 134 -3.985 10.425 -5.406 1.00 1.00 H new ATOM 0 HG1 THR A 134 -5.647 10.460 -7.112 1.00 1.00 H new ATOM 0 HG21 THR A 134 -3.274 10.720 -7.751 1.00 1.00 H new ATOM 0 HG22 THR A 134 -2.142 9.648 -6.894 1.00 1.00 H new ATOM 0 HG23 THR A 134 -3.348 8.961 -8.008 1.00 1.00 H new ATOM 887 N VAL A 135 -1.671 8.075 -5.056 1.00 1.00 N ATOM 888 CA VAL A 135 -0.444 7.978 -4.283 1.00 1.00 C ATOM 889 C VAL A 135 -0.371 9.151 -3.302 1.00 1.00 C ATOM 890 O VAL A 135 -1.112 10.123 -3.434 1.00 1.00 O ATOM 891 CB VAL A 135 0.762 7.908 -5.221 1.00 1.00 C ATOM 892 CG1 VAL A 135 1.105 9.291 -5.778 1.00 1.00 C ATOM 893 CG2 VAL A 135 1.970 7.286 -4.516 1.00 1.00 C ATOM 0 H VAL A 135 -1.541 8.057 -6.067 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.435 7.060 -3.695 1.00 1.00 H new ATOM 0 HB VAL A 135 0.496 7.265 -6.060 1.00 1.00 H new ATOM 0 HG11 VAL A 135 1.966 9.213 -6.442 1.00 1.00 H new ATOM 0 HG12 VAL A 135 0.252 9.681 -6.334 1.00 1.00 H new ATOM 0 HG13 VAL A 135 1.341 9.966 -4.956 1.00 1.00 H new ATOM 0 HG21 VAL A 135 2.814 7.248 -5.205 1.00 1.00 H new ATOM 0 HG22 VAL A 135 2.236 7.891 -3.649 1.00 1.00 H new ATOM 0 HG23 VAL A 135 1.721 6.276 -4.191 1.00 1.00 H new ATOM 903 N LYS A 136 0.530 9.019 -2.339 1.00 1.00 N ATOM 904 CA LYS A 136 0.710 10.055 -1.336 1.00 1.00 C ATOM 905 C LYS A 136 2.167 10.059 -0.868 1.00 1.00 C ATOM 906 O LYS A 136 2.792 11.114 -0.782 1.00 1.00 O ATOM 907 CB LYS A 136 -0.301 9.883 -0.201 1.00 1.00 C ATOM 908 CG LYS A 136 -0.923 11.225 0.189 1.00 1.00 C ATOM 909 CD LYS A 136 -0.079 11.933 1.252 1.00 1.00 C ATOM 910 CE LYS A 136 -0.038 13.442 1.005 1.00 1.00 C ATOM 911 NZ LYS A 136 0.850 13.757 -0.136 1.00 1.00 N ATOM 0 H LYS A 136 1.143 8.211 -2.232 1.00 1.00 H new ATOM 0 HA LYS A 136 0.510 11.038 -1.763 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -1.085 9.191 -0.509 1.00 1.00 H new ATOM 0 HB3 LYS A 136 0.191 9.441 0.665 1.00 1.00 H new ATOM 0 HG2 LYS A 136 -1.010 11.859 -0.693 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -1.932 11.066 0.568 1.00 1.00 H new ATOM 0 HD2 LYS A 136 -0.492 11.734 2.241 1.00 1.00 H new ATOM 0 HD3 LYS A 136 0.934 11.532 1.243 1.00 1.00 H new ATOM 0 HE2 LYS A 136 -1.044 13.811 0.803 1.00 1.00 H new ATOM 0 HE3 LYS A 136 0.315 13.953 1.900 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 1.460 14.562 0.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 1.441 12.929 -0.355 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 0.274 14.001 -0.967 1.00 1.00 H new ATOM 920 N ALA A 137 2.664 8.866 -0.577 1.00 1.00 N ATOM 921 CA ALA A 137 4.035 8.718 -0.121 1.00 1.00 C ATOM 922 C ALA A 137 4.211 7.337 0.514 1.00 1.00 C ATOM 923 O ALA A 137 3.397 6.921 1.338 1.00 1.00 O ATOM 924 CB ALA A 137 4.376 9.853 0.847 1.00 1.00 C ATOM 0 H ALA A 137 2.142 7.993 -0.648 1.00 1.00 H new ATOM 0 HA ALA A 137 4.728 8.785 -0.960 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.405 9.742 1.190 1.00 1.00 H new ATOM 0 HB2 ALA A 137 4.264 10.811 0.339 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.703 9.816 1.703 1.00 1.00 H new ATOM 930 N ILE A 138 5.278 6.665 0.108 1.00 1.00 N ATOM 931 CA ILE A 138 5.570 5.339 0.627 1.00 1.00 C ATOM 932 C ILE A 138 6.616 5.450 1.737 1.00 1.00 C ATOM 933 O ILE A 138 7.636 6.119 1.569 1.00 1.00 O ATOM 934 CB ILE A 138 5.975 4.397 -0.508 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.332 4.821 -1.829 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.653 2.943 -0.154 1.00 1.00 C ATOM 937 CD1 ILE A 138 6.216 5.826 -2.571 1.00 1.00 C ATOM 0 H ILE A 138 5.951 7.014 -0.574 1.00 1.00 H new ATOM 0 HA ILE A 138 4.678 4.899 1.072 1.00 1.00 H new ATOM 0 HB ILE A 138 7.055 4.465 -0.640 1.00 1.00 H new ATOM 0 HG12 ILE A 138 5.167 3.944 -2.455 1.00 1.00 H new ATOM 0 HG13 ILE A 138 4.355 5.264 -1.636 1.00 1.00 H new ATOM 0 HG21 ILE A 138 5.951 2.294 -0.977 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.197 2.659 0.747 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.582 2.840 0.021 1.00 1.00 H new ATOM 0 HD11 ILE A 138 5.736 6.111 -3.507 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.359 6.712 -1.952 1.00 1.00 H new ATOM 0 HD13 ILE A 138 7.184 5.372 -2.783 1.00 1.00 H new ATOM 948 N LEU A 139 6.328 4.787 2.847 1.00 1.00 N ATOM 949 CA LEU A 139 7.232 4.803 3.985 1.00 1.00 C ATOM 950 C LEU A 139 7.995 3.478 4.044 1.00 1.00 C ATOM 951 O LEU A 139 9.205 3.463 4.265 1.00 1.00 O ATOM 952 CB LEU A 139 6.470 5.131 5.269 1.00 1.00 C ATOM 953 CG LEU A 139 5.081 5.745 5.087 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.327 5.801 6.418 1.00 1.00 C ATOM 955 CD2 LEU A 139 5.173 7.120 4.423 1.00 1.00 C ATOM 0 H LEU A 139 5.481 4.235 2.983 1.00 1.00 H new ATOM 0 HA LEU A 139 7.974 5.593 3.871 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.367 4.215 5.851 1.00 1.00 H new ATOM 0 HB3 LEU A 139 7.074 5.818 5.861 1.00 1.00 H new ATOM 0 HG LEU A 139 4.508 5.102 4.419 1.00 1.00 H new ATOM 0 HD11 LEU A 139 3.343 6.242 6.260 1.00 1.00 H new ATOM 0 HD12 LEU A 139 4.214 4.792 6.815 1.00 1.00 H new ATOM 0 HD13 LEU A 139 4.887 6.409 7.128 1.00 1.00 H new ATOM 0 HD21 LEU A 139 4.172 7.535 4.305 1.00 1.00 H new ATOM 0 HD22 LEU A 139 5.771 7.786 5.046 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.642 7.021 3.444 1.00 1.00 H new ATOM 966 N VAL A 140 7.256 2.396 3.842 1.00 1.00 N ATOM 967 CA VAL A 140 7.847 1.070 3.869 1.00 1.00 C ATOM 968 C VAL A 140 8.644 0.844 2.582 1.00 1.00 C ATOM 969 O VAL A 140 8.274 1.348 1.523 1.00 1.00 O ATOM 970 CB VAL A 140 6.760 0.016 4.091 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.720 0.058 2.969 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.369 -1.381 4.223 1.00 1.00 C ATOM 0 H VAL A 140 6.253 2.412 3.659 1.00 1.00 H new ATOM 0 HA VAL A 140 8.543 0.980 4.703 1.00 1.00 H new ATOM 0 HB VAL A 140 6.253 0.249 5.027 1.00 1.00 H new ATOM 0 HG11 VAL A 140 4.959 -0.701 3.150 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.253 1.042 2.943 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.207 -0.138 2.014 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.575 -2.111 4.380 1.00 1.00 H new ATOM 0 HG22 VAL A 140 7.914 -1.628 3.312 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.053 -1.401 5.071 1.00 1.00 H new ATOM 982 N GLU A 141 9.723 0.088 2.717 1.00 1.00 N ATOM 983 CA GLU A 141 10.576 -0.209 1.579 1.00 1.00 C ATOM 984 C GLU A 141 10.291 -1.619 1.057 1.00 1.00 C ATOM 985 O GLU A 141 9.735 -2.450 1.774 1.00 1.00 O ATOM 986 CB GLU A 141 12.053 -0.046 1.942 1.00 1.00 C ATOM 987 CG GLU A 141 12.803 0.724 0.855 1.00 1.00 C ATOM 988 CD GLU A 141 13.699 1.803 1.466 1.00 1.00 C ATOM 989 OE1 GLU A 141 13.543 2.992 1.149 1.00 1.00 O ATOM 990 OE2 GLU A 141 14.583 1.370 2.300 1.00 1.00 O ATOM 0 H GLU A 141 10.026 -0.328 3.597 1.00 1.00 H new ATOM 0 HA GLU A 141 10.352 0.504 0.786 1.00 1.00 H new ATOM 0 HB2 GLU A 141 12.142 0.480 2.892 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.508 -1.027 2.077 1.00 1.00 H new ATOM 0 HG2 GLU A 141 13.408 0.034 0.267 1.00 1.00 H new ATOM 0 HG3 GLU A 141 12.089 1.183 0.171 1.00 1.00 H new ATOM 996 N SER A 142 10.687 -1.846 -0.187 1.00 1.00 N ATOM 997 CA SER A 142 10.481 -3.141 -0.812 1.00 1.00 C ATOM 998 C SER A 142 11.429 -4.174 -0.200 1.00 1.00 C ATOM 999 O SER A 142 12.589 -4.269 -0.595 1.00 1.00 O ATOM 1000 CB SER A 142 10.690 -3.061 -2.326 1.00 1.00 C ATOM 1001 OG SER A 142 12.057 -2.848 -2.666 1.00 1.00 O ATOM 0 H SER A 142 11.149 -1.155 -0.778 1.00 1.00 H new ATOM 0 HA SER A 142 9.451 -3.449 -0.630 1.00 1.00 H new ATOM 0 HB2 SER A 142 10.341 -3.984 -2.789 1.00 1.00 H new ATOM 0 HB3 SER A 142 10.085 -2.251 -2.733 1.00 1.00 H new ATOM 0 HG SER A 142 12.623 -3.448 -2.137 1.00 1.00 H new ATOM 1006 N GLY A 143 10.898 -4.925 0.755 1.00 1.00 N ATOM 1007 CA GLY A 143 11.681 -5.948 1.425 1.00 1.00 C ATOM 1008 C GLY A 143 11.877 -5.607 2.904 1.00 1.00 C ATOM 1009 O GLY A 143 12.429 -6.404 3.661 1.00 1.00 O ATOM 0 H GLY A 143 9.935 -4.844 1.080 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.181 -6.912 1.334 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.652 -6.045 0.939 1.00 1.00 H new ATOM 1013 N GLN A 144 11.413 -4.421 3.272 1.00 1.00 N ATOM 1014 CA GLN A 144 11.528 -3.965 4.647 1.00 1.00 C ATOM 1015 C GLN A 144 10.457 -4.625 5.517 1.00 1.00 C ATOM 1016 O GLN A 144 9.379 -4.964 5.031 1.00 1.00 O ATOM 1017 CB GLN A 144 11.440 -2.440 4.728 1.00 1.00 C ATOM 1018 CG GLN A 144 12.773 -1.836 5.169 1.00 1.00 C ATOM 1019 CD GLN A 144 13.770 -1.802 4.009 1.00 1.00 C ATOM 1020 OE1 GLN A 144 14.021 -2.793 3.344 1.00 1.00 O ATOM 1021 NE2 GLN A 144 14.323 -0.609 3.806 1.00 1.00 N ATOM 0 H GLN A 144 10.957 -3.762 2.641 1.00 1.00 H new ATOM 0 HA GLN A 144 12.507 -4.259 5.026 1.00 1.00 H new ATOM 0 HB2 GLN A 144 11.158 -2.036 3.755 1.00 1.00 H new ATOM 0 HB3 GLN A 144 10.657 -2.154 5.431 1.00 1.00 H new ATOM 0 HG2 GLN A 144 12.612 -0.825 5.545 1.00 1.00 H new ATOM 0 HG3 GLN A 144 13.186 -2.420 5.992 1.00 1.00 H new ATOM 0 HE21 GLN A 144 14.067 0.179 4.401 1.00 1.00 H new ATOM 0 HE22 GLN A 144 15.002 -0.483 3.056 1.00 1.00 H new ATOM 1028 N PRO A 145 10.799 -4.791 6.823 1.00 1.00 N ATOM 1029 CA PRO A 145 9.878 -5.404 7.765 1.00 1.00 C ATOM 1030 C PRO A 145 8.758 -4.433 8.147 1.00 1.00 C ATOM 1031 O PRO A 145 8.912 -3.220 8.017 1.00 1.00 O ATOM 1032 CB PRO A 145 10.740 -5.811 8.950 1.00 1.00 C ATOM 1033 CG PRO A 145 12.021 -5.000 8.831 1.00 1.00 C ATOM 1034 CD PRO A 145 12.067 -4.403 7.434 1.00 1.00 C ATOM 0 HA PRO A 145 9.363 -6.269 7.347 1.00 1.00 H new ATOM 0 HB2 PRO A 145 10.232 -5.603 9.892 1.00 1.00 H new ATOM 0 HB3 PRO A 145 10.951 -6.880 8.931 1.00 1.00 H new ATOM 0 HG2 PRO A 145 12.045 -4.212 9.584 1.00 1.00 H new ATOM 0 HG3 PRO A 145 12.891 -5.633 9.004 1.00 1.00 H new ATOM 0 HD2 PRO A 145 12.174 -3.319 7.470 1.00 1.00 H new ATOM 0 HD3 PRO A 145 12.914 -4.788 6.867 1.00 1.00 H new ATOM 1039 N VAL A 146 7.656 -5.005 8.610 1.00 1.00 N ATOM 1040 CA VAL A 146 6.510 -4.207 9.010 1.00 1.00 C ATOM 1041 C VAL A 146 5.919 -4.783 10.298 1.00 1.00 C ATOM 1042 O VAL A 146 6.132 -5.952 10.616 1.00 1.00 O ATOM 1043 CB VAL A 146 5.497 -4.135 7.866 1.00 1.00 C ATOM 1044 CG1 VAL A 146 6.194 -3.867 6.532 1.00 1.00 C ATOM 1045 CG2 VAL A 146 4.654 -5.411 7.800 1.00 1.00 C ATOM 0 H VAL A 146 7.533 -6.012 8.717 1.00 1.00 H new ATOM 0 HA VAL A 146 6.813 -3.182 9.221 1.00 1.00 H new ATOM 0 HB VAL A 146 4.825 -3.300 8.065 1.00 1.00 H new ATOM 0 HG11 VAL A 146 5.451 -3.821 5.736 1.00 1.00 H new ATOM 0 HG12 VAL A 146 6.729 -2.919 6.585 1.00 1.00 H new ATOM 0 HG13 VAL A 146 6.900 -4.670 6.323 1.00 1.00 H new ATOM 0 HG21 VAL A 146 3.942 -5.334 6.978 1.00 1.00 H new ATOM 0 HG22 VAL A 146 5.306 -6.269 7.637 1.00 1.00 H new ATOM 0 HG23 VAL A 146 4.114 -5.539 8.738 1.00 1.00 H new ATOM 1055 N GLU A 147 5.188 -3.934 11.007 1.00 1.00 N ATOM 1056 CA GLU A 147 4.564 -4.344 12.253 1.00 1.00 C ATOM 1057 C GLU A 147 3.063 -4.051 12.218 1.00 1.00 C ATOM 1058 O GLU A 147 2.605 -3.236 11.418 1.00 1.00 O ATOM 1059 CB GLU A 147 5.227 -3.659 13.451 1.00 1.00 C ATOM 1060 CG GLU A 147 6.521 -4.375 13.843 1.00 1.00 C ATOM 1061 CD GLU A 147 7.072 -3.829 15.162 1.00 1.00 C ATOM 1062 OE1 GLU A 147 8.227 -3.383 15.214 1.00 1.00 O ATOM 1063 OE2 GLU A 147 6.252 -3.878 16.156 1.00 1.00 O ATOM 0 H GLU A 147 5.014 -2.965 10.742 1.00 1.00 H new ATOM 0 HA GLU A 147 4.702 -5.419 12.368 1.00 1.00 H new ATOM 0 HB2 GLU A 147 5.442 -2.619 13.207 1.00 1.00 H new ATOM 0 HB3 GLU A 147 4.540 -3.652 14.297 1.00 1.00 H new ATOM 0 HG2 GLU A 147 6.335 -5.445 13.938 1.00 1.00 H new ATOM 0 HG3 GLU A 147 7.263 -4.249 13.055 1.00 1.00 H new ATOM 1069 N PHE A 148 2.338 -4.730 13.094 1.00 1.00 N ATOM 1070 CA PHE A 148 0.898 -4.553 13.173 1.00 1.00 C ATOM 1071 C PHE A 148 0.545 -3.140 13.642 1.00 1.00 C ATOM 1072 O PHE A 148 1.077 -2.663 14.643 1.00 1.00 O ATOM 1073 CB PHE A 148 0.377 -5.563 14.197 1.00 1.00 C ATOM 1074 CG PHE A 148 -1.129 -5.471 14.451 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -1.622 -4.508 15.274 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -1.973 -6.354 13.855 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -3.020 -4.423 15.510 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -3.371 -6.270 14.091 1.00 1.00 C ATOM 1079 CZ PHE A 148 -3.865 -5.305 14.914 1.00 1.00 C ATOM 0 H PHE A 148 2.721 -5.405 13.756 1.00 1.00 H new ATOM 0 HA PHE A 148 0.451 -4.704 12.191 1.00 1.00 H new ATOM 0 HB2 PHE A 148 0.616 -6.569 13.854 1.00 1.00 H new ATOM 0 HB3 PHE A 148 0.904 -5.414 15.140 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -0.951 -3.808 15.748 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.581 -7.119 13.202 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -3.412 -3.657 16.163 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -4.042 -6.972 13.618 1.00 1.00 H new ATOM 0 HZ PHE A 148 -4.928 -5.240 15.093 1.00 1.00 H new ATOM 1088 N ASP A 149 -0.351 -2.510 12.896 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.782 -1.162 13.223 1.00 1.00 C ATOM 1090 C ASP A 149 0.229 -0.158 12.665 1.00 1.00 C ATOM 1091 O ASP A 149 0.018 1.051 12.743 1.00 1.00 O ATOM 1092 CB ASP A 149 -0.862 -0.960 14.738 1.00 1.00 C ATOM 1093 CG ASP A 149 -1.811 0.149 15.194 1.00 1.00 C ATOM 1094 OD1 ASP A 149 -3.040 0.013 15.113 1.00 1.00 O ATOM 1095 OD2 ASP A 149 -1.232 1.206 15.654 1.00 1.00 O ATOM 0 H ASP A 149 -0.790 -2.909 12.066 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.769 -1.009 12.787 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -1.175 -1.897 15.198 1.00 1.00 H new ATOM 0 HB3 ASP A 149 0.137 -0.739 15.113 1.00 1.00 H new ATOM 1100 N GLU A 150 1.308 -0.697 12.115 1.00 1.00 N ATOM 1101 CA GLU A 150 2.353 0.136 11.545 1.00 1.00 C ATOM 1102 C GLU A 150 1.968 0.578 10.132 1.00 1.00 C ATOM 1103 O GLU A 150 1.334 -0.174 9.393 1.00 1.00 O ATOM 1104 CB GLU A 150 3.697 -0.595 11.543 1.00 1.00 C ATOM 1105 CG GLU A 150 4.821 0.323 12.026 1.00 1.00 C ATOM 1106 CD GLU A 150 5.788 0.651 10.886 1.00 1.00 C ATOM 1107 OE1 GLU A 150 5.823 -0.067 9.876 1.00 1.00 O ATOM 1108 OE2 GLU A 150 6.521 1.696 11.077 1.00 1.00 O ATOM 0 H GLU A 150 1.481 -1.700 12.052 1.00 1.00 H new ATOM 0 HA GLU A 150 2.461 1.025 12.166 1.00 1.00 H new ATOM 0 HB2 GLU A 150 3.638 -1.473 12.186 1.00 1.00 H new ATOM 0 HB3 GLU A 150 3.920 -0.951 10.537 1.00 1.00 H new ATOM 0 HG2 GLU A 150 4.397 1.245 12.425 1.00 1.00 H new ATOM 0 HG3 GLU A 150 5.363 -0.157 12.841 1.00 1.00 H new ATOM 1114 N PRO A 151 2.376 1.829 9.790 1.00 1.00 N ATOM 1115 CA PRO A 151 2.081 2.381 8.479 1.00 1.00 C ATOM 1116 C PRO A 151 2.977 1.757 7.407 1.00 1.00 C ATOM 1117 O PRO A 151 4.069 1.277 7.707 1.00 1.00 O ATOM 1118 CB PRO A 151 2.286 3.880 8.626 1.00 1.00 C ATOM 1119 CG PRO A 151 3.133 4.063 9.875 1.00 1.00 C ATOM 1120 CD PRO A 151 3.128 2.749 10.639 1.00 1.00 C ATOM 0 HA PRO A 151 1.065 2.163 8.150 1.00 1.00 H new ATOM 0 HB2 PRO A 151 2.786 4.294 7.750 1.00 1.00 H new ATOM 0 HB3 PRO A 151 1.331 4.397 8.722 1.00 1.00 H new ATOM 0 HG2 PRO A 151 4.151 4.345 9.608 1.00 1.00 H new ATOM 0 HG3 PRO A 151 2.732 4.866 10.494 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.142 2.388 10.813 1.00 1.00 H new ATOM 0 HD3 PRO A 151 2.657 2.861 11.616 1.00 1.00 H new ATOM 1125 N LEU A 152 2.482 1.785 6.178 1.00 1.00 N ATOM 1126 CA LEU A 152 3.225 1.229 5.060 1.00 1.00 C ATOM 1127 C LEU A 152 3.319 2.273 3.945 1.00 1.00 C ATOM 1128 O LEU A 152 4.361 2.903 3.767 1.00 1.00 O ATOM 1129 CB LEU A 152 2.604 -0.096 4.610 1.00 1.00 C ATOM 1130 CG LEU A 152 2.411 -1.151 5.702 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.502 -2.281 5.216 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.759 -1.674 6.202 1.00 1.00 C ATOM 0 H LEU A 152 1.576 2.184 5.932 1.00 1.00 H new ATOM 0 HA LEU A 152 4.245 0.991 5.362 1.00 1.00 H new ATOM 0 HB2 LEU A 152 1.634 0.114 4.160 1.00 1.00 H new ATOM 0 HB3 LEU A 152 3.232 -0.522 3.828 1.00 1.00 H new ATOM 0 HG LEU A 152 1.914 -0.680 6.550 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.381 -3.018 6.010 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.527 -1.874 4.947 1.00 1.00 H new ATOM 0 HD13 LEU A 152 1.949 -2.758 4.344 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.594 -2.422 6.977 1.00 1.00 H new ATOM 0 HD22 LEU A 152 4.305 -2.125 5.373 1.00 1.00 H new ATOM 0 HD23 LEU A 152 4.340 -0.848 6.612 1.00 1.00 H new ATOM 1143 N VAL A 153 2.218 2.425 3.225 1.00 1.00 N ATOM 1144 CA VAL A 153 2.163 3.381 2.132 1.00 1.00 C ATOM 1145 C VAL A 153 1.083 4.424 2.427 1.00 1.00 C ATOM 1146 O VAL A 153 0.038 4.098 2.989 1.00 1.00 O ATOM 1147 CB VAL A 153 1.943 2.651 0.807 1.00 1.00 C ATOM 1148 CG1 VAL A 153 2.186 3.585 -0.380 1.00 1.00 C ATOM 1149 CG2 VAL A 153 2.826 1.405 0.714 1.00 1.00 C ATOM 0 H VAL A 153 1.356 1.902 3.377 1.00 1.00 H new ATOM 0 HA VAL A 153 3.111 3.911 2.041 1.00 1.00 H new ATOM 0 HB VAL A 153 0.903 2.327 0.771 1.00 1.00 H new ATOM 0 HG11 VAL A 153 2.023 3.041 -1.310 1.00 1.00 H new ATOM 0 HG12 VAL A 153 1.497 4.428 -0.327 1.00 1.00 H new ATOM 0 HG13 VAL A 153 3.212 3.953 -0.350 1.00 1.00 H new ATOM 0 HG21 VAL A 153 2.650 0.904 -0.238 1.00 1.00 H new ATOM 0 HG22 VAL A 153 3.874 1.696 0.783 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.584 0.726 1.531 1.00 1.00 H new ATOM 1159 N VAL A 154 1.371 5.656 2.035 1.00 1.00 N ATOM 1160 CA VAL A 154 0.437 6.748 2.250 1.00 1.00 C ATOM 1161 C VAL A 154 -0.298 7.049 0.943 1.00 1.00 C ATOM 1162 O VAL A 154 0.328 7.368 -0.066 1.00 1.00 O ATOM 1163 CB VAL A 154 1.176 7.964 2.815 1.00 1.00 C ATOM 1164 CG1 VAL A 154 0.198 9.095 3.142 1.00 1.00 C ATOM 1165 CG2 VAL A 154 2.003 7.581 4.043 1.00 1.00 C ATOM 0 H VAL A 154 2.239 5.922 1.569 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.315 6.469 2.988 1.00 1.00 H new ATOM 0 HB VAL A 154 1.863 8.325 2.049 1.00 1.00 H new ATOM 0 HG11 VAL A 154 0.748 9.947 3.542 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -0.327 9.395 2.235 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -0.524 8.749 3.882 1.00 1.00 H new ATOM 0 HG21 VAL A 154 2.518 8.463 4.425 1.00 1.00 H new ATOM 0 HG22 VAL A 154 1.345 7.183 4.815 1.00 1.00 H new ATOM 0 HG23 VAL A 154 2.737 6.824 3.766 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.617 6.936 1.004 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.445 7.193 -0.161 1.00 1.00 C ATOM 1177 C ILE A 155 -3.286 8.447 0.080 1.00 1.00 C ATOM 1178 O ILE A 155 -3.432 8.891 1.218 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.274 5.955 -0.513 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.451 4.958 -1.330 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.570 6.347 -1.224 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -2.713 3.523 -0.870 1.00 1.00 C ATOM 0 H ILE A 155 -2.132 6.670 1.843 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.822 7.391 -1.033 1.00 1.00 H new ATOM 0 HB ILE A 155 -3.554 5.457 0.415 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -2.699 5.056 -2.387 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -1.390 5.188 -1.229 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -5.140 5.449 -1.463 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -5.162 6.990 -0.573 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -4.333 6.882 -2.144 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -2.115 2.835 -1.467 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -2.441 3.422 0.181 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -3.770 3.288 -0.995 1.00 1.00 H new ATOM 1193 N GLU A 156 -3.818 8.984 -1.008 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.640 10.179 -0.928 1.00 1.00 C ATOM 1195 C GLU A 156 -6.015 9.920 -1.549 1.00 1.00 C ATOM 1196 O GLU A 156 -6.140 9.124 -2.479 1.00 1.00 O ATOM 1197 CB GLU A 156 -3.950 11.367 -1.601 1.00 1.00 C ATOM 1198 CG GLU A 156 -4.188 11.355 -3.113 1.00 1.00 C ATOM 1199 CD GLU A 156 -5.256 12.378 -3.507 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -5.127 13.566 -3.178 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -6.247 11.899 -4.180 1.00 1.00 O ATOM 0 H GLU A 156 -3.696 8.613 -1.950 1.00 1.00 H new ATOM 0 HA GLU A 156 -4.779 10.430 0.124 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -4.326 12.298 -1.177 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -2.880 11.334 -1.397 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -3.256 11.577 -3.633 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -4.499 10.359 -3.428 1.00 1.00 H new