USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 533 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 97 LYS NZ :NH3+ -133:sc= -2.3! (180deg=-5.75!) USER MOD Set 1.2: A 134 THR OG1 : rot -77:sc= 1.28 USER MOD Set 1.3: A 141 MET CE :methyl -119:sc= -0.277 (180deg=-0.406) USER MOD Set 2.1: A 91 ASN : amide:sc= -1.3 K(o=-1.6,f=-0.39) USER MOD Set 2.2: A 107 CYS SG : rot 170:sc= -0.338 USER MOD Set 3.1: A 86 SER OG : rot -130:sc= -0.152 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 78 THR OG1 : rot -23:sc= 0.552 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-5.6!) USER MOD Single : A 84 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.41) USER MOD Single : A 89 CYS SG : rot 106:sc= 1.32 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 101 TYR OH : rot -140:sc= -0.833 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -1.96! X(o=-2!,f=-1.6) USER MOD Single : A 118 MET CE :methyl 173:sc= -0.613 (180deg=-0.763) USER MOD Single : A 133 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 137 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 139 LYS NZ :NH3+ -135:sc= -0.221 (180deg=-1.66!) USER MOD Single : A 142 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.951 13.407 9.059 1.00 0.00 N ATOM 110 CA THR A 78 -2.997 12.754 8.284 1.00 0.00 C ATOM 111 C THR A 78 -3.140 11.289 8.677 1.00 0.00 C ATOM 112 O THR A 78 -2.186 10.663 9.140 1.00 0.00 O ATOM 113 CB THR A 78 -2.715 12.843 6.772 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.302 12.877 6.539 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.362 14.082 6.172 1.00 0.00 C ATOM 0 HA THR A 78 -3.927 13.278 8.504 1.00 0.00 H new ATOM 0 HB THR A 78 -3.142 11.962 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.846 13.203 7.343 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.149 14.123 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.440 14.040 6.325 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.961 14.972 6.656 1.00 0.00 H new ATOM 123 N LYS A 79 -4.338 10.745 8.490 1.00 0.00 N ATOM 124 CA LYS A 79 -4.606 9.351 8.824 1.00 0.00 C ATOM 125 C LYS A 79 -5.246 8.623 7.646 1.00 0.00 C ATOM 126 O LYS A 79 -5.985 9.220 6.862 1.00 0.00 O ATOM 127 CB LYS A 79 -5.521 9.265 10.048 1.00 0.00 C ATOM 128 CG LYS A 79 -5.307 8.012 10.880 1.00 0.00 C ATOM 129 CD LYS A 79 -4.124 8.162 11.821 1.00 0.00 C ATOM 130 CE LYS A 79 -3.830 6.864 12.558 1.00 0.00 C ATOM 131 NZ LYS A 79 -4.641 6.736 13.800 1.00 0.00 N ATOM 0 H LYS A 79 -5.139 11.249 8.109 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.656 8.869 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.357 10.141 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.559 9.299 9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.207 7.799 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.142 7.160 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.244 8.468 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.330 8.953 12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.036 6.019 11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.770 6.821 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.412 5.839 14.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.426 7.529 14.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.652 6.751 13.557 1.00 0.00 H new ATOM 145 N LEU A 80 -4.959 7.331 7.528 1.00 0.00 N ATOM 146 CA LEU A 80 -5.508 6.521 6.446 1.00 0.00 C ATOM 147 C LEU A 80 -6.043 5.195 6.976 1.00 0.00 C ATOM 148 O LEU A 80 -5.274 4.317 7.371 1.00 0.00 O ATOM 149 CB LEU A 80 -4.440 6.265 5.382 1.00 0.00 C ATOM 150 CG LEU A 80 -3.563 7.461 5.010 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.569 7.077 3.925 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.423 8.633 4.557 1.00 0.00 C ATOM 0 H LEU A 80 -4.349 6.822 8.168 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.335 7.071 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.793 5.460 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.934 5.907 4.479 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.004 7.766 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.954 7.941 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.931 6.270 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.109 6.745 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.782 9.475 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.009 8.339 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.095 8.925 5.364 1.00 0.00 H new ATOM 164 N HIS A 81 -7.364 5.054 6.981 1.00 0.00 N ATOM 165 CA HIS A 81 -8.002 3.833 7.460 1.00 0.00 C ATOM 166 C HIS A 81 -8.047 2.776 6.360 1.00 0.00 C ATOM 167 O HIS A 81 -8.329 3.083 5.202 1.00 0.00 O ATOM 168 CB HIS A 81 -9.417 4.131 7.956 1.00 0.00 C ATOM 169 CG HIS A 81 -10.179 2.908 8.363 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.365 1.825 7.531 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.803 2.600 9.524 1.00 0.00 C ATOM 172 CE1 HIS A 81 -11.072 0.904 8.161 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.350 1.349 9.373 1.00 0.00 N ATOM 0 H HIS A 81 -8.014 5.771 6.659 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.410 3.445 8.289 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.360 4.812 8.805 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -9.968 4.647 7.170 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.860 3.222 10.405 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.372 -0.050 7.754 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.884 0.846 10.082 1.00 0.00 H new ATOM 182 N VAL A 82 -7.767 1.531 6.731 1.00 0.00 N ATOM 183 CA VAL A 82 -7.777 0.429 5.776 1.00 0.00 C ATOM 184 C VAL A 82 -8.719 -0.682 6.228 1.00 0.00 C ATOM 185 O VAL A 82 -8.868 -0.936 7.422 1.00 0.00 O ATOM 186 CB VAL A 82 -6.365 -0.158 5.582 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.285 -0.933 4.276 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.320 0.947 5.621 1.00 0.00 C ATOM 0 H VAL A 82 -7.531 1.260 7.686 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.128 0.835 4.827 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.161 -0.849 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.281 -1.340 4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.008 -1.749 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.508 -0.266 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.329 0.515 5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.518 1.664 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.363 1.455 6.585 1.00 0.00 H new ATOM 198 N GLY A 83 -9.352 -1.342 5.263 1.00 0.00 N ATOM 199 CA GLY A 83 -10.272 -2.418 5.581 1.00 0.00 C ATOM 200 C GLY A 83 -9.960 -3.692 4.821 1.00 0.00 C ATOM 201 O GLY A 83 -9.230 -3.668 3.831 1.00 0.00 O ATOM 0 H GLY A 83 -9.244 -1.151 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.235 -2.619 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.289 -2.102 5.351 1.00 0.00 H new ATOM 205 N ASN A 84 -10.512 -4.807 5.286 1.00 0.00 N ATOM 206 CA ASN A 84 -10.286 -6.097 4.644 1.00 0.00 C ATOM 207 C ASN A 84 -8.800 -6.443 4.625 1.00 0.00 C ATOM 208 O ASN A 84 -8.237 -6.750 3.574 1.00 0.00 O ATOM 209 CB ASN A 84 -10.836 -6.083 3.217 1.00 0.00 C ATOM 210 CG ASN A 84 -11.302 -7.453 2.763 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.269 -8.000 3.295 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.615 -8.015 1.775 1.00 0.00 N ATOM 0 H ASN A 84 -11.119 -4.844 6.105 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.811 -6.859 5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.668 -5.381 3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.065 -5.721 2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.882 -8.936 1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.820 -7.525 1.364 1.00 0.00 H new ATOM 219 N ILE A 85 -8.171 -6.390 5.795 1.00 0.00 N ATOM 220 CA ILE A 85 -6.752 -6.699 5.912 1.00 0.00 C ATOM 221 C ILE A 85 -6.522 -8.204 5.999 1.00 0.00 C ATOM 222 O ILE A 85 -7.427 -8.962 6.345 1.00 0.00 O ATOM 223 CB ILE A 85 -6.129 -6.024 7.149 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.676 -4.604 7.312 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.613 -6.004 7.035 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.244 -3.661 6.211 1.00 0.00 C ATOM 0 H ILE A 85 -8.622 -6.136 6.674 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.270 -6.311 5.015 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.399 -6.601 8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.765 -4.644 7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.347 -4.204 8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.188 -5.524 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.240 -7.026 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.322 -5.448 6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.668 -2.673 6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.156 -3.592 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.596 -4.038 5.251 1.00 0.00 H new ATOM 238 N SER A 86 -5.303 -8.630 5.682 1.00 0.00 N ATOM 239 CA SER A 86 -4.954 -10.045 5.722 1.00 0.00 C ATOM 240 C SER A 86 -4.459 -10.444 7.109 1.00 0.00 C ATOM 241 O SER A 86 -3.830 -9.660 7.821 1.00 0.00 O ATOM 242 CB SER A 86 -3.881 -10.357 4.676 1.00 0.00 C ATOM 243 OG SER A 86 -3.234 -11.585 4.960 1.00 0.00 O ATOM 0 H SER A 86 -4.541 -8.016 5.395 1.00 0.00 H new ATOM 0 HA SER A 86 -5.851 -10.621 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.336 -10.402 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.146 -9.552 4.653 1.00 0.00 H new ATOM 0 HG SER A 86 -2.263 -11.457 4.934 1.00 0.00 H new ATOM 249 N PRO A 87 -4.749 -11.692 7.503 1.00 0.00 N ATOM 250 CA PRO A 87 -4.343 -12.225 8.807 1.00 0.00 C ATOM 251 C PRO A 87 -2.836 -12.440 8.902 1.00 0.00 C ATOM 252 O PRO A 87 -2.306 -12.736 9.974 1.00 0.00 O ATOM 253 CB PRO A 87 -5.080 -13.564 8.889 1.00 0.00 C ATOM 254 CG PRO A 87 -5.302 -13.961 7.470 1.00 0.00 C ATOM 255 CD PRO A 87 -5.495 -12.680 6.707 1.00 0.00 C ATOM 0 HA PRO A 87 -4.584 -11.540 9.620 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.489 -14.309 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.024 -13.464 9.425 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.450 -14.521 7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.176 -14.606 7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.105 -12.755 5.692 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.549 -12.416 6.625 1.00 0.00 H new ATOM 263 N THR A 88 -2.149 -12.290 7.774 1.00 0.00 N ATOM 264 CA THR A 88 -0.704 -12.469 7.729 1.00 0.00 C ATOM 265 C THR A 88 0.006 -11.147 7.460 1.00 0.00 C ATOM 266 O THR A 88 1.233 -11.098 7.367 1.00 0.00 O ATOM 267 CB THR A 88 -0.296 -13.487 6.648 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.685 -13.010 5.355 1.00 0.00 O ATOM 269 CG2 THR A 88 -0.940 -14.840 6.909 1.00 0.00 C ATOM 0 H THR A 88 -2.571 -12.045 6.878 1.00 0.00 H new ATOM 0 HA THR A 88 -0.403 -12.848 8.706 1.00 0.00 H new ATOM 0 HB THR A 88 0.787 -13.605 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.421 -13.662 4.673 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.637 -15.543 6.133 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.620 -15.214 7.882 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.025 -14.734 6.900 1.00 0.00 H new ATOM 277 N CYS A 89 -0.773 -10.078 7.335 1.00 0.00 N ATOM 278 CA CYS A 89 -0.218 -8.754 7.075 1.00 0.00 C ATOM 279 C CYS A 89 0.713 -8.324 8.204 1.00 0.00 C ATOM 280 O CYS A 89 0.407 -8.512 9.382 1.00 0.00 O ATOM 281 CB CYS A 89 -1.342 -7.731 6.907 1.00 0.00 C ATOM 282 SG CYS A 89 -0.771 -6.021 6.771 1.00 0.00 S ATOM 0 H CYS A 89 -1.790 -10.102 7.409 1.00 0.00 H new ATOM 0 HA CYS A 89 0.359 -8.804 6.152 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.917 -7.982 6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.020 -7.810 7.757 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.875 -5.626 5.537 1.00 0.00 H new ATOM 288 N THR A 90 1.852 -7.745 7.837 1.00 0.00 N ATOM 289 CA THR A 90 2.829 -7.291 8.818 1.00 0.00 C ATOM 290 C THR A 90 3.021 -5.780 8.744 1.00 0.00 C ATOM 291 O THR A 90 3.158 -5.215 7.660 1.00 0.00 O ATOM 292 CB THR A 90 4.192 -7.980 8.616 1.00 0.00 C ATOM 293 OG1 THR A 90 4.643 -7.788 7.270 1.00 0.00 O ATOM 294 CG2 THR A 90 4.095 -9.469 8.915 1.00 0.00 C ATOM 0 H THR A 90 2.120 -7.580 6.867 1.00 0.00 H new ATOM 0 HA THR A 90 2.438 -7.558 9.800 1.00 0.00 H new ATOM 0 HB THR A 90 4.907 -7.532 9.306 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.511 -8.227 7.150 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.069 -9.934 8.766 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.779 -9.613 9.948 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.367 -9.928 8.246 1.00 0.00 H new ATOM 302 N ASN A 91 3.030 -5.132 9.904 1.00 0.00 N ATOM 303 CA ASN A 91 3.206 -3.686 9.970 1.00 0.00 C ATOM 304 C ASN A 91 4.301 -3.226 9.012 1.00 0.00 C ATOM 305 O ASN A 91 4.208 -2.153 8.417 1.00 0.00 O ATOM 306 CB ASN A 91 3.549 -3.257 11.398 1.00 0.00 C ATOM 307 CG ASN A 91 2.316 -2.916 12.212 1.00 0.00 C ATOM 308 OD1 ASN A 91 1.811 -3.744 12.971 1.00 0.00 O ATOM 309 ND2 ASN A 91 1.825 -1.692 12.057 1.00 0.00 N ATOM 0 H ASN A 91 2.918 -5.585 10.811 1.00 0.00 H new ATOM 0 HA ASN A 91 2.268 -3.218 9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.098 -4.058 11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.210 -2.391 11.365 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.996 -1.405 12.578 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.276 -1.039 11.417 1.00 0.00 H new ATOM 316 N GLN A 92 5.337 -4.047 8.869 1.00 0.00 N ATOM 317 CA GLN A 92 6.449 -3.724 7.983 1.00 0.00 C ATOM 318 C GLN A 92 5.993 -3.684 6.528 1.00 0.00 C ATOM 319 O GLN A 92 6.436 -2.837 5.753 1.00 0.00 O ATOM 320 CB GLN A 92 7.574 -4.748 8.149 1.00 0.00 C ATOM 321 CG GLN A 92 8.571 -4.385 9.237 1.00 0.00 C ATOM 322 CD GLN A 92 9.665 -5.423 9.396 1.00 0.00 C ATOM 323 OE1 GLN A 92 9.770 -6.358 8.602 1.00 0.00 O ATOM 324 NE2 GLN A 92 10.487 -5.264 10.427 1.00 0.00 N ATOM 0 H GLN A 92 5.429 -4.939 9.355 1.00 0.00 H new ATOM 0 HA GLN A 92 6.822 -2.736 8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.138 -5.721 8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.104 -4.850 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.022 -3.420 9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.044 -4.270 10.184 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.364 -4.474 11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.242 -5.932 10.585 1.00 0.00 H new ATOM 333 N GLU A 93 5.106 -4.605 6.166 1.00 0.00 N ATOM 334 CA GLU A 93 4.591 -4.674 4.803 1.00 0.00 C ATOM 335 C GLU A 93 3.666 -3.496 4.510 1.00 0.00 C ATOM 336 O GLU A 93 3.925 -2.697 3.609 1.00 0.00 O ATOM 337 CB GLU A 93 3.843 -5.991 4.583 1.00 0.00 C ATOM 338 CG GLU A 93 4.758 -7.198 4.467 1.00 0.00 C ATOM 339 CD GLU A 93 5.213 -7.452 3.043 1.00 0.00 C ATOM 340 OE1 GLU A 93 4.353 -7.755 2.190 1.00 0.00 O ATOM 341 OE2 GLU A 93 6.430 -7.346 2.782 1.00 0.00 O ATOM 0 H GLU A 93 4.729 -5.313 6.796 1.00 0.00 H new ATOM 0 HA GLU A 93 5.438 -4.627 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.151 -6.149 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.243 -5.912 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.631 -7.049 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.238 -8.080 4.841 1.00 0.00 H new ATOM 348 N LEU A 94 2.586 -3.395 5.277 1.00 0.00 N ATOM 349 CA LEU A 94 1.621 -2.315 5.101 1.00 0.00 C ATOM 350 C LEU A 94 2.318 -0.959 5.082 1.00 0.00 C ATOM 351 O LEU A 94 2.236 -0.222 4.100 1.00 0.00 O ATOM 352 CB LEU A 94 0.578 -2.350 6.220 1.00 0.00 C ATOM 353 CG LEU A 94 -0.735 -1.619 5.936 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.419 -2.206 4.712 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.655 -1.686 7.147 1.00 0.00 C ATOM 0 H LEU A 94 2.356 -4.048 6.027 1.00 0.00 H new ATOM 0 HA LEU A 94 1.122 -2.459 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.350 -3.392 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.023 -1.921 7.118 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.509 -0.572 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.351 -1.673 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.764 -2.106 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.632 -3.261 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.585 -1.161 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.873 -2.728 7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.167 -1.217 8.001 1.00 0.00 H new ATOM 367 N ARG A 95 3.006 -0.638 6.173 1.00 0.00 N ATOM 368 CA ARG A 95 3.719 0.629 6.282 1.00 0.00 C ATOM 369 C ARG A 95 4.523 0.910 5.016 1.00 0.00 C ATOM 370 O ARG A 95 4.252 1.871 4.296 1.00 0.00 O ATOM 371 CB ARG A 95 4.648 0.614 7.497 1.00 0.00 C ATOM 372 CG ARG A 95 5.479 1.878 7.644 1.00 0.00 C ATOM 373 CD ARG A 95 6.307 1.855 8.920 1.00 0.00 C ATOM 374 NE ARG A 95 7.320 2.907 8.934 1.00 0.00 N ATOM 375 CZ ARG A 95 8.368 2.906 9.749 1.00 0.00 C ATOM 376 NH1 ARG A 95 8.541 1.915 10.612 1.00 0.00 N ATOM 377 NH2 ARG A 95 9.247 3.899 9.702 1.00 0.00 N ATOM 0 H ARG A 95 3.085 -1.238 6.994 1.00 0.00 H new ATOM 0 HA ARG A 95 2.982 1.422 6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.051 0.475 8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.317 -0.244 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.139 1.983 6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.822 2.748 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.649 1.974 9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.792 0.884 9.020 1.00 0.00 H new ATOM 0 HE ARG A 95 7.217 3.685 8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.868 1.150 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.347 1.918 11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.118 4.664 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.052 3.898 10.328 1.00 0.00 H new ATOM 391 N ALA A 96 5.514 0.065 4.751 1.00 0.00 N ATOM 392 CA ALA A 96 6.357 0.222 3.572 1.00 0.00 C ATOM 393 C ALA A 96 5.535 0.654 2.363 1.00 0.00 C ATOM 394 O ALA A 96 5.813 1.682 1.745 1.00 0.00 O ATOM 395 CB ALA A 96 7.095 -1.075 3.275 1.00 0.00 C ATOM 0 H ALA A 96 5.753 -0.735 5.337 1.00 0.00 H new ATOM 0 HA ALA A 96 7.088 1.004 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.721 -0.944 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.721 -1.341 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.373 -1.871 3.093 1.00 0.00 H new ATOM 401 N LYS A 97 4.521 -0.138 2.029 1.00 0.00 N ATOM 402 CA LYS A 97 3.657 0.162 0.894 1.00 0.00 C ATOM 403 C LYS A 97 3.125 1.590 0.977 1.00 0.00 C ATOM 404 O LYS A 97 2.984 2.271 -0.039 1.00 0.00 O ATOM 405 CB LYS A 97 2.489 -0.826 0.840 1.00 0.00 C ATOM 406 CG LYS A 97 1.994 -1.105 -0.569 1.00 0.00 C ATOM 407 CD LYS A 97 1.204 -2.401 -0.635 1.00 0.00 C ATOM 408 CE LYS A 97 -0.220 -2.213 -0.134 1.00 0.00 C ATOM 409 NZ LYS A 97 -1.154 -1.858 -1.237 1.00 0.00 N ATOM 0 H LYS A 97 4.278 -0.993 2.529 1.00 0.00 H new ATOM 0 HA LYS A 97 4.249 0.066 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.796 -1.765 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.664 -0.434 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.368 -0.279 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.843 -1.160 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.184 -2.764 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.703 -3.163 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.559 -3.130 0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.238 -1.429 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.746 -1.054 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.609 -1.597 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.761 -2.674 -1.454 1.00 0.00 H new ATOM 423 N PHE A 98 2.833 2.037 2.194 1.00 0.00 N ATOM 424 CA PHE A 98 2.317 3.384 2.409 1.00 0.00 C ATOM 425 C PHE A 98 3.455 4.398 2.476 1.00 0.00 C ATOM 426 O PHE A 98 3.250 5.592 2.258 1.00 0.00 O ATOM 427 CB PHE A 98 1.495 3.438 3.698 1.00 0.00 C ATOM 428 CG PHE A 98 0.056 3.050 3.508 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.324 1.717 3.522 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.916 4.018 3.315 1.00 0.00 C ATOM 431 CE1 PHE A 98 -1.647 1.357 3.348 1.00 0.00 C ATOM 432 CE2 PHE A 98 -2.241 3.663 3.141 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.606 2.331 3.156 1.00 0.00 C ATOM 0 H PHE A 98 2.945 1.487 3.046 1.00 0.00 H new ATOM 0 HA PHE A 98 1.675 3.639 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.947 2.775 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.540 4.448 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.422 0.951 3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.636 5.061 3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.930 0.315 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.990 4.427 2.993 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.640 2.052 3.018 1.00 0.00 H new ATOM 443 N GLU A 99 4.655 3.913 2.780 1.00 0.00 N ATOM 444 CA GLU A 99 5.826 4.777 2.877 1.00 0.00 C ATOM 445 C GLU A 99 6.317 5.186 1.491 1.00 0.00 C ATOM 446 O GLU A 99 7.024 6.181 1.341 1.00 0.00 O ATOM 447 CB GLU A 99 6.948 4.069 3.639 1.00 0.00 C ATOM 448 CG GLU A 99 6.848 4.220 5.148 1.00 0.00 C ATOM 449 CD GLU A 99 8.145 3.879 5.855 1.00 0.00 C ATOM 450 OE1 GLU A 99 8.512 2.686 5.880 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.793 4.806 6.384 1.00 0.00 O ATOM 0 H GLU A 99 4.842 2.927 2.963 1.00 0.00 H new ATOM 0 HA GLU A 99 5.538 5.676 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.934 3.009 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.908 4.464 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.566 5.245 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.054 3.574 5.522 1.00 0.00 H new ATOM 458 N GLU A 100 5.936 4.408 0.482 1.00 0.00 N ATOM 459 CA GLU A 100 6.339 4.689 -0.891 1.00 0.00 C ATOM 460 C GLU A 100 5.839 6.061 -1.335 1.00 0.00 C ATOM 461 O GLU A 100 6.486 6.740 -2.133 1.00 0.00 O ATOM 462 CB GLU A 100 5.804 3.609 -1.834 1.00 0.00 C ATOM 463 CG GLU A 100 6.675 2.366 -1.892 1.00 0.00 C ATOM 464 CD GLU A 100 6.395 1.514 -3.115 1.00 0.00 C ATOM 465 OE1 GLU A 100 6.203 2.088 -4.208 1.00 0.00 O ATOM 466 OE2 GLU A 100 6.368 0.273 -2.980 1.00 0.00 O ATOM 0 H GLU A 100 5.350 3.580 0.589 1.00 0.00 H new ATOM 0 HA GLU A 100 7.428 4.688 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.801 3.325 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.714 4.026 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.724 2.662 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.512 1.770 -0.994 1.00 0.00 H new ATOM 473 N TYR A 101 4.685 6.461 -0.814 1.00 0.00 N ATOM 474 CA TYR A 101 4.096 7.749 -1.158 1.00 0.00 C ATOM 475 C TYR A 101 4.750 8.876 -0.363 1.00 0.00 C ATOM 476 O TYR A 101 5.116 9.911 -0.918 1.00 0.00 O ATOM 477 CB TYR A 101 2.590 7.732 -0.895 1.00 0.00 C ATOM 478 CG TYR A 101 1.859 6.632 -1.632 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.915 5.316 -1.191 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.112 6.910 -2.770 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.250 4.309 -1.862 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.442 5.909 -3.447 1.00 0.00 C ATOM 483 CZ TYR A 101 0.515 4.610 -2.989 1.00 0.00 C ATOM 484 OH TYR A 101 -0.151 3.609 -3.659 1.00 0.00 O ATOM 0 H TYR A 101 4.138 5.911 -0.151 1.00 0.00 H new ATOM 0 HA TYR A 101 4.270 7.928 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.418 7.617 0.175 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.168 8.694 -1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.489 5.076 -0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.054 7.926 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.305 3.291 -1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.135 6.142 -4.329 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.069 3.751 -4.625 1.00 0.00 H new ATOM 494 N GLY A 102 4.892 8.666 0.942 1.00 0.00 N ATOM 495 CA GLY A 102 5.501 9.671 1.793 1.00 0.00 C ATOM 496 C GLY A 102 6.059 9.085 3.075 1.00 0.00 C ATOM 497 O GLY A 102 5.888 7.902 3.367 1.00 0.00 O ATOM 0 H GLY A 102 4.596 7.818 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.302 10.169 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.761 10.433 2.037 1.00 0.00 H new ATOM 501 N PRO A 103 6.745 9.925 3.864 1.00 0.00 N ATOM 502 CA PRO A 103 7.345 9.505 5.134 1.00 0.00 C ATOM 503 C PRO A 103 6.297 9.204 6.200 1.00 0.00 C ATOM 504 O PRO A 103 5.866 10.097 6.930 1.00 0.00 O ATOM 505 CB PRO A 103 8.192 10.712 5.543 1.00 0.00 C ATOM 506 CG PRO A 103 7.544 11.874 4.873 1.00 0.00 C ATOM 507 CD PRO A 103 6.988 11.349 3.578 1.00 0.00 C ATOM 0 HA PRO A 103 7.916 8.582 5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.206 10.837 6.626 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.227 10.596 5.222 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.753 12.292 5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.264 12.672 4.693 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.070 11.865 3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.692 11.479 2.756 1.00 0.00 H new ATOM 515 N VAL A 104 5.889 7.942 6.283 1.00 0.00 N ATOM 516 CA VAL A 104 4.891 7.524 7.261 1.00 0.00 C ATOM 517 C VAL A 104 5.313 7.907 8.674 1.00 0.00 C ATOM 518 O VAL A 104 6.503 8.028 8.967 1.00 0.00 O ATOM 519 CB VAL A 104 4.652 6.003 7.203 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.752 5.561 8.347 1.00 0.00 C ATOM 521 CG2 VAL A 104 4.055 5.609 5.860 1.00 0.00 C ATOM 0 H VAL A 104 6.234 7.191 5.685 1.00 0.00 H new ATOM 0 HA VAL A 104 3.965 8.040 7.009 1.00 0.00 H new ATOM 0 HB VAL A 104 5.611 5.497 7.311 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.594 4.484 8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.224 5.809 9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.792 6.073 8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.893 4.531 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.104 6.123 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.740 5.890 5.061 1.00 0.00 H new ATOM 531 N ILE A 105 4.330 8.097 9.548 1.00 0.00 N ATOM 532 CA ILE A 105 4.599 8.466 10.932 1.00 0.00 C ATOM 533 C ILE A 105 4.403 7.276 11.866 1.00 0.00 C ATOM 534 O ILE A 105 5.289 6.937 12.649 1.00 0.00 O ATOM 535 CB ILE A 105 3.692 9.622 11.394 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.905 10.851 10.508 1.00 0.00 C ATOM 537 CG2 ILE A 105 3.964 9.959 12.852 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.110 12.059 10.950 1.00 0.00 C ATOM 0 H ILE A 105 3.340 8.001 9.322 1.00 0.00 H new ATOM 0 HA ILE A 105 5.638 8.792 10.975 1.00 0.00 H new ATOM 0 HB ILE A 105 2.652 9.308 11.303 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.965 11.106 10.503 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.632 10.602 9.483 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.315 10.778 13.163 1.00 0.00 H new ATOM 0 HG22 ILE A 105 3.766 9.084 13.471 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.006 10.257 12.968 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.310 12.892 10.277 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.046 11.822 10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.400 12.334 11.964 1.00 0.00 H new ATOM 550 N GLU A 106 3.236 6.646 11.776 1.00 0.00 N ATOM 551 CA GLU A 106 2.924 5.493 12.612 1.00 0.00 C ATOM 552 C GLU A 106 1.835 4.636 11.973 1.00 0.00 C ATOM 553 O GLU A 106 0.734 5.115 11.700 1.00 0.00 O ATOM 554 CB GLU A 106 2.478 5.950 14.003 1.00 0.00 C ATOM 555 CG GLU A 106 1.745 7.281 14.001 1.00 0.00 C ATOM 556 CD GLU A 106 1.704 7.926 15.372 1.00 0.00 C ATOM 557 OE1 GLU A 106 2.642 8.683 15.700 1.00 0.00 O ATOM 558 OE2 GLU A 106 0.734 7.675 16.117 1.00 0.00 O ATOM 0 H GLU A 106 2.491 6.915 11.133 1.00 0.00 H new ATOM 0 HA GLU A 106 3.827 4.890 12.707 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.829 5.188 14.436 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.353 6.028 14.648 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.232 7.958 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.726 7.130 13.644 1.00 0.00 H new ATOM 565 N CYS A 107 2.151 3.368 11.738 1.00 0.00 N ATOM 566 CA CYS A 107 1.202 2.443 11.129 1.00 0.00 C ATOM 567 C CYS A 107 0.732 1.402 12.141 1.00 0.00 C ATOM 568 O CYS A 107 1.528 0.876 12.919 1.00 0.00 O ATOM 569 CB CYS A 107 1.835 1.750 9.922 1.00 0.00 C ATOM 570 SG CYS A 107 0.833 0.413 9.230 1.00 0.00 S ATOM 0 H CYS A 107 3.057 2.956 11.960 1.00 0.00 H new ATOM 0 HA CYS A 107 0.337 3.016 10.796 1.00 0.00 H new ATOM 0 HB2 CYS A 107 2.018 2.492 9.145 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.805 1.349 10.214 1.00 0.00 H new ATOM 0 HG CYS A 107 1.342 0.032 8.096 1.00 0.00 H new ATOM 576 N ASP A 108 -0.564 1.111 12.125 1.00 0.00 N ATOM 577 CA ASP A 108 -1.140 0.134 13.041 1.00 0.00 C ATOM 578 C ASP A 108 -2.100 -0.797 12.308 1.00 0.00 C ATOM 579 O ASP A 108 -2.964 -0.346 11.555 1.00 0.00 O ATOM 580 CB ASP A 108 -1.868 0.842 14.184 1.00 0.00 C ATOM 581 CG ASP A 108 -0.954 1.142 15.356 1.00 0.00 C ATOM 582 OD1 ASP A 108 -0.279 0.207 15.837 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.912 2.312 15.791 1.00 0.00 O ATOM 0 H ASP A 108 -1.236 1.538 11.487 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.328 -0.464 13.454 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.298 1.773 13.815 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.697 0.220 14.523 1.00 0.00 H new ATOM 588 N ILE A 109 -1.944 -2.097 12.534 1.00 0.00 N ATOM 589 CA ILE A 109 -2.797 -3.091 11.895 1.00 0.00 C ATOM 590 C ILE A 109 -3.912 -3.542 12.833 1.00 0.00 C ATOM 591 O ILE A 109 -3.764 -3.505 14.054 1.00 0.00 O ATOM 592 CB ILE A 109 -1.989 -4.323 11.447 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.136 -3.983 10.223 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.921 -5.487 11.143 1.00 0.00 C ATOM 595 CD1 ILE A 109 -0.043 -4.992 9.949 1.00 0.00 C ATOM 0 H ILE A 109 -1.235 -2.486 13.155 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.233 -2.615 11.017 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.325 -4.618 12.259 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.782 -3.913 9.348 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.685 -3.001 10.366 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.334 -6.350 10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.489 -5.742 12.038 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.608 -5.204 10.345 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.521 -4.687 9.068 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.626 -5.046 10.808 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.488 -5.972 9.774 1.00 0.00 H new ATOM 607 N VAL A 110 -5.029 -3.971 12.253 1.00 0.00 N ATOM 608 CA VAL A 110 -6.169 -4.432 13.036 1.00 0.00 C ATOM 609 C VAL A 110 -6.737 -5.728 12.468 1.00 0.00 C ATOM 610 O VAL A 110 -6.324 -6.186 11.402 1.00 0.00 O ATOM 611 CB VAL A 110 -7.285 -3.372 13.081 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.221 -3.632 14.251 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.688 -1.975 13.166 1.00 0.00 C ATOM 0 H VAL A 110 -5.168 -4.009 11.243 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.806 -4.610 14.048 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.865 -3.440 12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.003 -2.873 14.267 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.674 -4.618 14.143 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.658 -3.592 15.183 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.490 -1.238 13.197 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.084 -1.892 14.069 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -6.062 -1.793 12.293 1.00 0.00 H new ATOM 623 N LYS A 111 -7.688 -6.316 13.186 1.00 0.00 N ATOM 624 CA LYS A 111 -8.316 -7.559 12.754 1.00 0.00 C ATOM 625 C LYS A 111 -8.483 -7.586 11.238 1.00 0.00 C ATOM 626 O LYS A 111 -7.744 -8.275 10.535 1.00 0.00 O ATOM 627 CB LYS A 111 -9.678 -7.728 13.432 1.00 0.00 C ATOM 628 CG LYS A 111 -9.589 -7.940 14.933 1.00 0.00 C ATOM 629 CD LYS A 111 -9.206 -9.372 15.271 1.00 0.00 C ATOM 630 CE LYS A 111 -8.734 -9.496 16.712 1.00 0.00 C ATOM 631 NZ LYS A 111 -7.957 -10.747 16.935 1.00 0.00 N ATOM 0 H LYS A 111 -8.041 -5.951 14.071 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.667 -8.385 13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.285 -6.845 13.234 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.195 -8.577 12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.853 -7.256 15.355 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.548 -7.700 15.393 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.062 -10.027 15.110 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.417 -9.707 14.598 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.117 -8.635 16.967 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.596 -9.480 17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.653 -10.795 17.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.554 -11.570 16.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.121 -10.751 16.317 1.00 0.00 H new ATOM 645 N ASP A 112 -9.457 -6.831 10.742 1.00 0.00 N ATOM 646 CA ASP A 112 -9.719 -6.767 9.309 1.00 0.00 C ATOM 647 C ASP A 112 -9.537 -5.345 8.786 1.00 0.00 C ATOM 648 O ASP A 112 -9.894 -5.041 7.648 1.00 0.00 O ATOM 649 CB ASP A 112 -11.136 -7.258 9.005 1.00 0.00 C ATOM 650 CG ASP A 112 -11.276 -8.758 9.169 1.00 0.00 C ATOM 651 OD1 ASP A 112 -10.373 -9.491 8.714 1.00 0.00 O ATOM 652 OD2 ASP A 112 -12.289 -9.200 9.751 1.00 0.00 O ATOM 0 H ASP A 112 -10.078 -6.255 11.311 1.00 0.00 H new ATOM 0 HA ASP A 112 -9.002 -7.415 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.841 -6.756 9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.403 -6.980 7.985 1.00 0.00 H new ATOM 657 N TYR A 113 -8.981 -4.479 9.625 1.00 0.00 N ATOM 658 CA TYR A 113 -8.755 -3.088 9.250 1.00 0.00 C ATOM 659 C TYR A 113 -7.368 -2.625 9.685 1.00 0.00 C ATOM 660 O TYR A 113 -6.605 -3.386 10.277 1.00 0.00 O ATOM 661 CB TYR A 113 -9.825 -2.189 9.873 1.00 0.00 C ATOM 662 CG TYR A 113 -10.361 -2.709 11.188 1.00 0.00 C ATOM 663 CD1 TYR A 113 -11.001 -3.940 11.262 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.228 -1.969 12.356 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.493 -4.418 12.461 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.715 -2.440 13.560 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.347 -3.665 13.607 1.00 0.00 C ATOM 668 OH TYR A 113 -11.836 -4.137 14.804 1.00 0.00 O ATOM 0 H TYR A 113 -8.678 -4.715 10.570 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.818 -3.016 8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.407 -1.194 10.028 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.651 -2.081 9.170 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.116 -4.533 10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.735 -1.009 12.322 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.989 -5.376 12.501 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.601 -1.852 14.459 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.650 -3.486 15.513 1.00 0.00 H new ATOM 678 N ALA A 114 -7.051 -1.369 9.386 1.00 0.00 N ATOM 679 CA ALA A 114 -5.758 -0.802 9.747 1.00 0.00 C ATOM 680 C ALA A 114 -5.810 0.722 9.757 1.00 0.00 C ATOM 681 O ALA A 114 -6.826 1.320 9.404 1.00 0.00 O ATOM 682 CB ALA A 114 -4.681 -1.289 8.789 1.00 0.00 C ATOM 0 H ALA A 114 -7.672 -0.726 8.895 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.511 -1.138 10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.721 -0.857 9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.618 -2.376 8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.932 -0.983 7.773 1.00 0.00 H new ATOM 688 N PHE A 115 -4.709 1.345 10.163 1.00 0.00 N ATOM 689 CA PHE A 115 -4.630 2.800 10.220 1.00 0.00 C ATOM 690 C PHE A 115 -3.197 3.276 9.999 1.00 0.00 C ATOM 691 O PHE A 115 -2.316 3.030 10.823 1.00 0.00 O ATOM 692 CB PHE A 115 -5.147 3.308 11.567 1.00 0.00 C ATOM 693 CG PHE A 115 -6.545 2.858 11.881 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.787 1.574 12.343 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.618 3.719 11.715 1.00 0.00 C ATOM 696 CE1 PHE A 115 -8.073 1.158 12.632 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.906 3.308 12.002 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.133 2.026 12.462 1.00 0.00 C ATOM 0 H PHE A 115 -3.859 0.865 10.458 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.255 3.204 9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.478 2.966 12.356 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.115 4.398 11.572 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.962 0.891 12.479 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.446 4.723 11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.249 0.155 12.991 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.734 3.989 11.867 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.138 1.703 12.688 1.00 0.00 H new ATOM 708 N VAL A 116 -2.972 3.958 8.881 1.00 0.00 N ATOM 709 CA VAL A 116 -1.647 4.470 8.552 1.00 0.00 C ATOM 710 C VAL A 116 -1.563 5.973 8.791 1.00 0.00 C ATOM 711 O VAL A 116 -2.171 6.763 8.068 1.00 0.00 O ATOM 712 CB VAL A 116 -1.280 4.174 7.085 1.00 0.00 C ATOM 713 CG1 VAL A 116 0.046 4.827 6.724 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.228 2.673 6.842 1.00 0.00 C ATOM 0 H VAL A 116 -3.690 4.169 8.188 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.940 3.961 9.207 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.052 4.597 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.289 4.607 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.031 5.906 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.832 4.436 7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -0.967 2.482 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.477 2.225 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.203 2.235 7.058 1.00 0.00 H new ATOM 724 N HIS A 117 -0.805 6.363 9.811 1.00 0.00 N ATOM 725 CA HIS A 117 -0.640 7.773 10.147 1.00 0.00 C ATOM 726 C HIS A 117 0.392 8.431 9.236 1.00 0.00 C ATOM 727 O HIS A 117 1.584 8.136 9.319 1.00 0.00 O ATOM 728 CB HIS A 117 -0.219 7.925 11.608 1.00 0.00 C ATOM 729 CG HIS A 117 -0.547 9.266 12.190 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.585 9.469 13.075 1.00 0.00 N ATOM 731 CD2 HIS A 117 0.033 10.476 12.009 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.630 10.746 13.412 1.00 0.00 C ATOM 733 NE2 HIS A 117 -0.658 11.378 12.779 1.00 0.00 N ATOM 0 H HIS A 117 -0.295 5.722 10.419 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.598 8.271 10.000 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.708 7.152 12.201 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.855 7.757 11.687 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.881 10.691 11.376 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.340 11.196 14.090 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.454 12.375 12.851 1.00 0.00 H new ATOM 742 N MET A 118 -0.074 9.322 8.368 1.00 0.00 N ATOM 743 CA MET A 118 0.810 10.021 7.442 1.00 0.00 C ATOM 744 C MET A 118 1.218 11.380 8.002 1.00 0.00 C ATOM 745 O MET A 118 0.588 11.895 8.925 1.00 0.00 O ATOM 746 CB MET A 118 0.124 10.200 6.086 1.00 0.00 C ATOM 747 CG MET A 118 0.369 9.049 5.125 1.00 0.00 C ATOM 748 SD MET A 118 2.122 8.766 4.810 1.00 0.00 S ATOM 749 CE MET A 118 2.071 8.169 3.122 1.00 0.00 C ATOM 0 H MET A 118 -1.058 9.577 8.286 1.00 0.00 H new ATOM 0 HA MET A 118 1.708 9.418 7.310 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.949 10.310 6.243 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.476 11.125 5.629 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.074 8.140 5.533 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.137 9.255 4.182 1.00 0.00 H new ATOM 0 HE1 MET A 118 3.087 8.068 2.741 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.575 7.199 3.094 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.520 8.877 2.502 1.00 0.00 H new ATOM 759 N GLU A 119 2.276 11.954 7.438 1.00 0.00 N ATOM 760 CA GLU A 119 2.768 13.253 7.883 1.00 0.00 C ATOM 761 C GLU A 119 2.195 14.375 7.023 1.00 0.00 C ATOM 762 O GLU A 119 1.670 15.362 7.540 1.00 0.00 O ATOM 763 CB GLU A 119 4.297 13.288 7.834 1.00 0.00 C ATOM 764 CG GLU A 119 4.891 14.602 8.312 1.00 0.00 C ATOM 765 CD GLU A 119 5.039 14.662 9.820 1.00 0.00 C ATOM 766 OE1 GLU A 119 5.876 13.913 10.364 1.00 0.00 O ATOM 767 OE2 GLU A 119 4.317 15.459 10.455 1.00 0.00 O ATOM 0 H GLU A 119 2.809 11.541 6.673 1.00 0.00 H new ATOM 0 HA GLU A 119 2.441 13.404 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.690 12.477 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.624 13.102 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.867 14.745 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.258 15.425 7.980 1.00 0.00 H new ATOM 774 N ARG A 120 2.299 14.218 5.707 1.00 0.00 N ATOM 775 CA ARG A 120 1.794 15.218 4.775 1.00 0.00 C ATOM 776 C ARG A 120 0.478 14.763 4.150 1.00 0.00 C ATOM 777 O ARG A 120 0.182 13.569 4.104 1.00 0.00 O ATOM 778 CB ARG A 120 2.824 15.491 3.678 1.00 0.00 C ATOM 779 CG ARG A 120 4.145 16.029 4.204 1.00 0.00 C ATOM 780 CD ARG A 120 5.072 16.436 3.069 1.00 0.00 C ATOM 781 NE ARG A 120 4.883 17.831 2.681 1.00 0.00 N ATOM 782 CZ ARG A 120 5.461 18.852 3.304 1.00 0.00 C ATOM 783 NH1 ARG A 120 6.262 18.635 4.338 1.00 0.00 N ATOM 784 NH2 ARG A 120 5.240 20.094 2.892 1.00 0.00 N ATOM 0 H ARG A 120 2.729 13.407 5.263 1.00 0.00 H new ATOM 0 HA ARG A 120 1.614 16.138 5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.010 14.568 3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.407 16.206 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.959 16.888 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.630 15.270 4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.107 16.282 3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.894 15.793 2.207 1.00 0.00 H new ATOM 0 HE ARG A 120 4.274 18.033 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.436 17.682 4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.704 19.421 4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.626 20.266 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.684 20.877 3.371 1.00 0.00 H new ATOM 798 N ALA A 121 -0.306 15.722 3.670 1.00 0.00 N ATOM 799 CA ALA A 121 -1.589 15.420 3.047 1.00 0.00 C ATOM 800 C ALA A 121 -1.398 14.872 1.637 1.00 0.00 C ATOM 801 O ALA A 121 -1.935 13.820 1.293 1.00 0.00 O ATOM 802 CB ALA A 121 -2.467 16.662 3.018 1.00 0.00 C ATOM 0 H ALA A 121 -0.075 16.715 3.700 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.083 14.653 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.422 16.422 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.639 17.010 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.970 17.446 2.446 1.00 0.00 H new ATOM 808 N GLU A 122 -0.631 15.593 0.825 1.00 0.00 N ATOM 809 CA GLU A 122 -0.371 15.179 -0.548 1.00 0.00 C ATOM 810 C GLU A 122 0.021 13.705 -0.607 1.00 0.00 C ATOM 811 O GLU A 122 -0.383 12.980 -1.516 1.00 0.00 O ATOM 812 CB GLU A 122 0.736 16.037 -1.164 1.00 0.00 C ATOM 813 CG GLU A 122 1.992 16.113 -0.312 1.00 0.00 C ATOM 814 CD GLU A 122 3.088 16.935 -0.961 1.00 0.00 C ATOM 815 OE1 GLU A 122 3.066 18.175 -0.812 1.00 0.00 O ATOM 816 OE2 GLU A 122 3.967 16.339 -1.618 1.00 0.00 O ATOM 0 H GLU A 122 -0.179 16.467 1.095 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.288 15.317 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.995 15.633 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.355 17.045 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 122 1.744 16.546 0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.361 15.105 -0.125 1.00 0.00 H new ATOM 823 N ASP A 123 0.811 13.270 0.368 1.00 0.00 N ATOM 824 CA ASP A 123 1.259 11.884 0.429 1.00 0.00 C ATOM 825 C ASP A 123 0.122 10.965 0.865 1.00 0.00 C ATOM 826 O ASP A 123 -0.035 9.863 0.339 1.00 0.00 O ATOM 827 CB ASP A 123 2.439 11.748 1.392 1.00 0.00 C ATOM 828 CG ASP A 123 3.732 12.277 0.802 1.00 0.00 C ATOM 829 OD1 ASP A 123 3.912 12.163 -0.429 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.563 12.805 1.570 1.00 0.00 O ATOM 0 H ASP A 123 1.155 13.858 1.128 1.00 0.00 H new ATOM 0 HA ASP A 123 1.580 11.588 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.216 12.286 2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.567 10.699 1.659 1.00 0.00 H new ATOM 835 N ALA A 124 -0.666 11.425 1.831 1.00 0.00 N ATOM 836 CA ALA A 124 -1.788 10.644 2.337 1.00 0.00 C ATOM 837 C ALA A 124 -2.854 10.453 1.263 1.00 0.00 C ATOM 838 O ALA A 124 -3.185 9.326 0.896 1.00 0.00 O ATOM 839 CB ALA A 124 -2.388 11.316 3.564 1.00 0.00 C ATOM 0 H ALA A 124 -0.548 12.334 2.279 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.415 9.660 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.225 10.722 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.630 11.395 4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.740 12.313 3.298 1.00 0.00 H new ATOM 845 N VAL A 125 -3.388 11.563 0.762 1.00 0.00 N ATOM 846 CA VAL A 125 -4.416 11.518 -0.271 1.00 0.00 C ATOM 847 C VAL A 125 -3.998 10.610 -1.422 1.00 0.00 C ATOM 848 O VAL A 125 -4.824 9.901 -1.997 1.00 0.00 O ATOM 849 CB VAL A 125 -4.718 12.923 -0.823 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.677 12.839 -2.002 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.284 13.815 0.271 1.00 0.00 C ATOM 0 H VAL A 125 -3.125 12.504 1.055 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.317 11.118 0.195 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.785 13.364 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.879 13.842 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.229 12.237 -2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.611 12.378 -1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.492 14.804 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.207 13.380 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.560 13.901 1.081 1.00 0.00 H new ATOM 861 N GLU A 126 -2.711 10.637 -1.753 1.00 0.00 N ATOM 862 CA GLU A 126 -2.184 9.816 -2.837 1.00 0.00 C ATOM 863 C GLU A 126 -2.094 8.352 -2.416 1.00 0.00 C ATOM 864 O GLU A 126 -2.541 7.459 -3.135 1.00 0.00 O ATOM 865 CB GLU A 126 -0.804 10.321 -3.265 1.00 0.00 C ATOM 866 CG GLU A 126 -0.857 11.428 -4.303 1.00 0.00 C ATOM 867 CD GLU A 126 -1.066 10.900 -5.709 1.00 0.00 C ATOM 868 OE1 GLU A 126 -2.012 10.111 -5.912 1.00 0.00 O ATOM 869 OE2 GLU A 126 -0.283 11.276 -6.607 1.00 0.00 O ATOM 0 H GLU A 126 -2.014 11.218 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.869 9.892 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.270 10.683 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.229 9.486 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.665 12.116 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.071 11.999 -4.268 1.00 0.00 H new ATOM 876 N ALA A 127 -1.510 8.113 -1.245 1.00 0.00 N ATOM 877 CA ALA A 127 -1.362 6.759 -0.727 1.00 0.00 C ATOM 878 C ALA A 127 -2.679 5.994 -0.805 1.00 0.00 C ATOM 879 O ALA A 127 -2.690 4.766 -0.894 1.00 0.00 O ATOM 880 CB ALA A 127 -0.854 6.795 0.706 1.00 0.00 C ATOM 0 H ALA A 127 -1.132 8.840 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.632 6.237 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.748 5.777 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.114 7.295 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.563 7.339 1.330 1.00 0.00 H new ATOM 886 N ILE A 128 -3.787 6.728 -0.770 1.00 0.00 N ATOM 887 CA ILE A 128 -5.109 6.117 -0.837 1.00 0.00 C ATOM 888 C ILE A 128 -5.518 5.851 -2.281 1.00 0.00 C ATOM 889 O ILE A 128 -5.711 4.702 -2.681 1.00 0.00 O ATOM 890 CB ILE A 128 -6.174 7.007 -0.169 1.00 0.00 C ATOM 891 CG1 ILE A 128 -5.903 7.124 1.333 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.565 6.445 -0.419 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.751 8.171 2.020 1.00 0.00 C ATOM 0 H ILE A 128 -3.795 7.745 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.048 5.171 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.121 8.004 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.083 6.157 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.851 7.362 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.307 7.084 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.755 6.408 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.631 5.439 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.506 8.199 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.554 9.147 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.805 7.923 1.898 1.00 0.00 H new ATOM 905 N ARG A 129 -5.649 6.919 -3.061 1.00 0.00 N ATOM 906 CA ARG A 129 -6.035 6.801 -4.461 1.00 0.00 C ATOM 907 C ARG A 129 -5.176 5.762 -5.176 1.00 0.00 C ATOM 908 O ARG A 129 -5.535 5.275 -6.247 1.00 0.00 O ATOM 909 CB ARG A 129 -5.908 8.154 -5.164 1.00 0.00 C ATOM 910 CG ARG A 129 -6.885 8.338 -6.313 1.00 0.00 C ATOM 911 CD ARG A 129 -6.831 9.752 -6.869 1.00 0.00 C ATOM 912 NE ARG A 129 -5.725 9.929 -7.808 1.00 0.00 N ATOM 913 CZ ARG A 129 -5.773 9.546 -9.079 1.00 0.00 C ATOM 914 NH1 ARG A 129 -6.865 8.970 -9.561 1.00 0.00 N ATOM 915 NH2 ARG A 129 -4.726 9.741 -9.871 1.00 0.00 N ATOM 0 H ARG A 129 -5.493 7.877 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.075 6.476 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.064 8.949 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.891 8.263 -5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.655 7.625 -7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.896 8.119 -5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.772 9.981 -7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.726 10.461 -6.048 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.870 10.370 -7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.672 8.820 -8.955 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.898 8.677 -10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.884 10.185 -9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -4.763 9.447 -10.847 1.00 0.00 H new ATOM 929 N GLY A 130 -4.038 5.427 -4.575 1.00 0.00 N ATOM 930 CA GLY A 130 -3.145 4.449 -5.169 1.00 0.00 C ATOM 931 C GLY A 130 -3.305 3.072 -4.557 1.00 0.00 C ATOM 932 O GLY A 130 -3.325 2.066 -5.269 1.00 0.00 O ATOM 0 H GLY A 130 -3.719 5.815 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.335 4.391 -6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.114 4.781 -5.046 1.00 0.00 H new ATOM 936 N LEU A 131 -3.419 3.023 -3.234 1.00 0.00 N ATOM 937 CA LEU A 131 -3.576 1.758 -2.526 1.00 0.00 C ATOM 938 C LEU A 131 -5.051 1.421 -2.334 1.00 0.00 C ATOM 939 O LEU A 131 -5.393 0.412 -1.717 1.00 0.00 O ATOM 940 CB LEU A 131 -2.875 1.821 -1.168 1.00 0.00 C ATOM 941 CG LEU A 131 -1.400 2.224 -1.192 1.00 0.00 C ATOM 942 CD1 LEU A 131 -0.836 2.270 0.219 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.598 1.264 -2.058 1.00 0.00 C ATOM 0 H LEU A 131 -3.406 3.845 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.118 0.973 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.414 2.527 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.956 0.843 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.323 3.222 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.214 2.559 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.392 2.999 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.926 1.286 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.449 1.567 -2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.682 0.254 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.986 1.282 -3.077 1.00 0.00 H new ATOM 955 N ASP A 132 -5.921 2.272 -2.867 1.00 0.00 N ATOM 956 CA ASP A 132 -7.360 2.063 -2.758 1.00 0.00 C ATOM 957 C ASP A 132 -7.804 0.878 -3.610 1.00 0.00 C ATOM 958 O ASP A 132 -7.598 0.862 -4.822 1.00 0.00 O ATOM 959 CB ASP A 132 -8.114 3.324 -3.184 1.00 0.00 C ATOM 960 CG ASP A 132 -7.824 3.715 -4.620 1.00 0.00 C ATOM 961 OD1 ASP A 132 -6.672 3.529 -5.063 1.00 0.00 O ATOM 962 OD2 ASP A 132 -8.749 4.207 -5.299 1.00 0.00 O ATOM 0 H ASP A 132 -5.655 3.113 -3.379 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.592 1.845 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -9.185 3.161 -3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.841 4.147 -2.524 1.00 0.00 H new ATOM 967 N ASN A 133 -8.413 -0.112 -2.966 1.00 0.00 N ATOM 968 CA ASN A 133 -8.885 -1.302 -3.665 1.00 0.00 C ATOM 969 C ASN A 133 -7.722 -2.051 -4.308 1.00 0.00 C ATOM 970 O ASN A 133 -7.759 -2.377 -5.495 1.00 0.00 O ATOM 971 CB ASN A 133 -9.912 -0.919 -4.732 1.00 0.00 C ATOM 972 CG ASN A 133 -11.182 -0.346 -4.132 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.226 -0.008 -2.949 1.00 0.00 O ATOM 974 ND2 ASN A 133 -12.223 -0.234 -4.949 1.00 0.00 N ATOM 0 H ASN A 133 -8.591 -0.114 -1.962 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.358 -1.959 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.472 -0.188 -5.410 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.159 -1.798 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -13.104 0.145 -4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -12.141 -0.527 -5.923 1.00 0.00 H new ATOM 981 N THR A 134 -6.689 -2.323 -3.516 1.00 0.00 N ATOM 982 CA THR A 134 -5.515 -3.033 -4.007 1.00 0.00 C ATOM 983 C THR A 134 -5.396 -4.409 -3.364 1.00 0.00 C ATOM 984 O THR A 134 -5.329 -4.529 -2.141 1.00 0.00 O ATOM 985 CB THR A 134 -4.224 -2.238 -3.737 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.166 -1.851 -2.359 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.154 -1.002 -4.620 1.00 0.00 C ATOM 0 H THR A 134 -6.642 -2.062 -2.531 1.00 0.00 H new ATOM 0 HA THR A 134 -5.643 -3.149 -5.083 1.00 0.00 H new ATOM 0 HB THR A 134 -3.374 -2.879 -3.970 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.763 -1.089 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.233 -0.457 -4.411 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.168 -1.302 -5.668 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.010 -0.360 -4.415 1.00 0.00 H new ATOM 995 N GLU A 135 -5.369 -5.446 -4.195 1.00 0.00 N ATOM 996 CA GLU A 135 -5.257 -6.815 -3.705 1.00 0.00 C ATOM 997 C GLU A 135 -4.107 -6.945 -2.711 1.00 0.00 C ATOM 998 O GLU A 135 -2.944 -7.056 -3.101 1.00 0.00 O ATOM 999 CB GLU A 135 -5.049 -7.783 -4.871 1.00 0.00 C ATOM 1000 CG GLU A 135 -5.045 -9.245 -4.456 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.735 -10.178 -5.610 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -5.487 -10.157 -6.608 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -3.742 -10.929 -5.517 1.00 0.00 O ATOM 0 H GLU A 135 -5.423 -5.364 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.186 -7.067 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.837 -7.625 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.103 -7.551 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.308 -9.393 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -6.018 -9.502 -4.037 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.439 -6.929 -1.424 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.435 -7.044 -0.373 1.00 0.00 C ATOM 1012 C PHE A 136 -3.342 -8.479 0.136 1.00 0.00 C ATOM 1013 O PHE A 136 -4.318 -9.034 0.639 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.768 -6.100 0.784 1.00 0.00 C ATOM 1015 CG PHE A 136 -2.617 -5.873 1.722 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -2.208 -6.870 2.593 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.944 -4.661 1.734 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -1.149 -6.665 3.457 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.885 -4.450 2.596 1.00 0.00 C ATOM 1020 CZ PHE A 136 -0.487 -5.452 3.459 1.00 0.00 C ATOM 0 H PHE A 136 -5.396 -6.837 -1.084 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.470 -6.764 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.091 -5.141 0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.609 -6.508 1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.723 -7.819 2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.251 -3.873 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -0.839 -7.451 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.369 -3.502 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.340 -5.288 4.134 1.00 0.00 H new ATOM 1030 N GLN A 137 -2.160 -9.073 0.001 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.939 -10.444 0.447 1.00 0.00 C ATOM 1032 C GLN A 137 -3.021 -11.373 -0.095 1.00 0.00 C ATOM 1033 O GLN A 137 -3.363 -12.375 0.531 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.913 -10.508 1.975 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.832 -9.643 2.602 1.00 0.00 C ATOM 1036 CD GLN A 137 0.531 -10.307 2.583 1.00 0.00 C ATOM 1037 OE1 GLN A 137 0.715 -11.355 1.962 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.495 -9.701 3.265 1.00 0.00 N ATOM 0 H GLN A 137 -1.342 -8.627 -0.413 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.975 -10.774 0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.884 -10.197 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.764 -11.542 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -0.777 -8.694 2.069 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -1.106 -9.415 3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.298 -8.834 3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.432 -10.102 3.289 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.556 -11.032 -1.263 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.594 -11.846 -1.869 1.00 0.00 C ATOM 1049 C GLY A 138 -5.965 -11.205 -1.771 1.00 0.00 C ATOM 1050 O GLY A 138 -6.765 -11.287 -2.703 1.00 0.00 O ATOM 0 H GLY A 138 -3.290 -10.207 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.351 -12.018 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.617 -12.821 -1.383 1.00 0.00 H new ATOM 1054 N LYS A 139 -6.237 -10.566 -0.638 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.520 -9.909 -0.420 1.00 0.00 C ATOM 1056 C LYS A 139 -7.391 -8.397 -0.574 1.00 0.00 C ATOM 1057 O LYS A 139 -6.513 -7.776 0.025 1.00 0.00 O ATOM 1058 CB LYS A 139 -8.059 -10.246 0.973 1.00 0.00 C ATOM 1059 CG LYS A 139 -7.086 -9.925 2.094 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.663 -10.286 3.453 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.509 -11.771 3.748 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.657 -12.562 3.226 1.00 0.00 N ATOM 0 H LYS A 139 -5.586 -10.489 0.143 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.219 -10.275 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.985 -9.696 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.307 -11.307 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -6.155 -10.470 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.841 -8.863 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -7.162 -9.706 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.718 -10.015 3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -6.584 -12.136 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -7.424 -11.921 4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.967 -13.242 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.443 -11.922 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -8.364 -13.076 2.370 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.270 -7.811 -1.380 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.254 -6.372 -1.612 1.00 0.00 C ATOM 1078 C ARG A 140 -8.743 -5.617 -0.380 1.00 0.00 C ATOM 1079 O ARG A 140 -9.698 -6.031 0.275 1.00 0.00 O ATOM 1080 CB ARG A 140 -9.125 -6.019 -2.819 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.383 -4.529 -2.969 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.508 -4.254 -3.954 1.00 0.00 C ATOM 1083 NE ARG A 140 -10.133 -4.598 -5.323 1.00 0.00 N ATOM 1084 CZ ARG A 140 -11.013 -4.850 -6.285 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.313 -4.795 -6.030 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -10.594 -5.156 -7.506 1.00 0.00 N ATOM 0 H ARG A 140 -9.003 -8.311 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.226 -6.073 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.643 -6.389 -3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -10.080 -6.537 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.636 -4.103 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.473 -4.033 -3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.390 -4.825 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.781 -3.200 -3.907 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.140 -4.647 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.639 -4.559 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -12.987 -4.989 -6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.595 -5.198 -7.707 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -11.271 -5.349 -8.244 1.00 0.00 H new ATOM 1100 N MET A 141 -8.080 -4.507 -0.071 1.00 0.00 N ATOM 1101 CA MET A 141 -8.448 -3.694 1.082 1.00 0.00 C ATOM 1102 C MET A 141 -8.887 -2.299 0.646 1.00 0.00 C ATOM 1103 O MET A 141 -8.431 -1.785 -0.376 1.00 0.00 O ATOM 1104 CB MET A 141 -7.273 -3.590 2.056 1.00 0.00 C ATOM 1105 CG MET A 141 -5.929 -3.406 1.369 1.00 0.00 C ATOM 1106 SD MET A 141 -5.718 -1.749 0.689 1.00 0.00 S ATOM 1107 CE MET A 141 -4.055 -1.368 1.237 1.00 0.00 C ATOM 0 H MET A 141 -7.286 -4.150 -0.603 1.00 0.00 H new ATOM 0 HA MET A 141 -9.285 -4.179 1.584 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.444 -2.752 2.731 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.238 -4.491 2.669 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.130 -3.606 2.083 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.831 -4.139 0.568 1.00 0.00 H new ATOM 0 HE1 MET A 141 -4.077 -0.492 1.885 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.650 -2.217 1.788 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.425 -1.163 0.372 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.775 -1.692 1.427 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.275 -0.357 1.121 1.00 0.00 C ATOM 1119 C HIS A 142 -9.553 0.698 1.954 1.00 0.00 C ATOM 1120 O HIS A 142 -9.576 0.656 3.184 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.781 -0.282 1.377 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.603 -0.945 0.315 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.853 -0.499 -0.057 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.345 -2.027 -0.457 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.331 -1.279 -1.010 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.435 -2.213 -1.272 1.00 0.00 N ATOM 0 H HIS A 142 -10.163 -2.103 2.276 1.00 0.00 H new ATOM 0 HA HIS A 142 -10.083 -0.157 0.067 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -12.001 -0.746 2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.077 0.764 1.453 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.450 -2.631 -0.436 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.291 -1.171 -1.493 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.536 -2.953 -1.967 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.910 1.643 1.275 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.180 2.709 1.951 1.00 0.00 C ATOM 1137 C VAL A 143 -8.911 4.041 1.824 1.00 0.00 C ATOM 1138 O VAL A 143 -9.384 4.399 0.747 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.756 2.861 1.386 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.938 3.811 2.247 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -6.077 1.504 1.281 1.00 0.00 C ATOM 0 H VAL A 143 -8.880 1.692 0.257 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.117 2.431 3.003 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.825 3.286 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.935 3.906 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.417 4.790 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.875 3.419 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -5.071 1.630 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -6.019 1.049 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.654 0.859 0.618 1.00 0.00 H new ATOM 1151 N GLN A 144 -8.998 4.770 2.933 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.671 6.063 2.945 1.00 0.00 C ATOM 1153 C GLN A 144 -9.291 6.863 4.186 1.00 0.00 C ATOM 1154 O GLN A 144 -8.632 6.349 5.091 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.188 5.872 2.891 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.749 5.120 4.087 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.087 4.470 3.793 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -14.016 5.123 3.317 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.192 3.177 4.075 1.00 0.00 N ATOM 0 H GLN A 144 -8.611 4.487 3.833 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.350 6.620 2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.667 6.849 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.446 5.333 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.038 4.354 4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.860 5.809 4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -12.396 2.675 4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.068 2.686 3.898 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.710 8.123 4.223 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.413 8.995 5.354 1.00 0.00 C ATOM 1170 C LEU A 145 -10.031 8.452 6.638 1.00 0.00 C ATOM 1171 O LEU A 145 -11.200 8.066 6.661 1.00 0.00 O ATOM 1172 CB LEU A 145 -9.932 10.409 5.084 1.00 0.00 C ATOM 1173 CG LEU A 145 -8.987 11.335 4.316 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.656 11.460 5.041 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -8.778 10.826 2.897 1.00 0.00 C ATOM 0 H LEU A 145 -10.256 8.564 3.483 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.331 9.029 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.865 10.332 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.169 10.876 6.040 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.442 12.324 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -6.997 12.122 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.821 11.871 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.194 10.476 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -8.103 11.497 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.345 9.826 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.736 10.790 2.379 1.00 0.00 H new