USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 535 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 216 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 223 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 162 GLN :FLIP amide:sc= -2! X(o=-3.5,f=-3.2!) USER MOD Set 2.2: A 215 GLN :FLIP amide:sc= -1.1 F(o=-3.8,f=-3.2) USER MOD Set 2.3: A 217 MET CE :methyl -150:sc= -0.142 (180deg=-0.166) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 159 ASN : amide:sc= 0.118 K(o=0.12,f=-6.4!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= 0.451 K(o=0.45,f=-2.3!) USER MOD Single : A 180 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 193 CYS SG : rot 180:sc= -0.109 USER MOD Single : A 197 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.529) USER MOD Single : A 198 TYR OH : rot 15:sc= -1.45 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD Single : A 201 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3.5!) USER MOD Single : A 205 GLN : amide:sc= -0.0913 X(o=-0.091,f=-0.35) USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 HIS : no HE2:sc= -1.7! C(o=-1.7!,f=-9.4!) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot -37:sc= 0.00131 USER MOD Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 5.807 1.616 3.540 1.00 0.00 N ATOM 218 CA LYS A 152 4.560 2.230 3.099 1.00 0.00 C ATOM 219 C LYS A 152 4.054 1.574 1.819 1.00 0.00 C ATOM 220 O LYS A 152 4.827 0.984 1.063 1.00 0.00 O ATOM 221 CB LYS A 152 4.759 3.730 2.872 1.00 0.00 C ATOM 222 CG LYS A 152 3.459 4.502 2.728 1.00 0.00 C ATOM 223 CD LYS A 152 3.711 5.980 2.485 1.00 0.00 C ATOM 224 CE LYS A 152 4.017 6.714 3.782 1.00 0.00 C ATOM 225 NZ LYS A 152 4.852 7.926 3.550 1.00 0.00 N ATOM 0 HA LYS A 152 3.815 2.083 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.326 4.143 3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.360 3.876 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.880 4.090 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.860 4.378 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.545 6.099 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 152 2.837 6.426 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 152 3.083 7.003 4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 152 4.535 6.042 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 5.039 8.398 4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 5.754 7.648 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 4.347 8.579 2.917 1.00 0.00 H new ATOM 239 N LEU A 153 2.751 1.682 1.580 1.00 0.00 N ATOM 240 CA LEU A 153 2.141 1.100 0.389 1.00 0.00 C ATOM 241 C LEU A 153 1.038 2.003 -0.154 1.00 0.00 C ATOM 242 O LEU A 153 0.120 2.384 0.572 1.00 0.00 O ATOM 243 CB LEU A 153 1.573 -0.284 0.707 1.00 0.00 C ATOM 244 CG LEU A 153 2.586 -1.427 0.769 1.00 0.00 C ATOM 245 CD1 LEU A 153 2.007 -2.614 1.523 1.00 0.00 C ATOM 246 CD2 LEU A 153 3.010 -1.840 -0.633 1.00 0.00 C ATOM 0 H LEU A 153 2.097 2.167 2.195 1.00 0.00 H new ATOM 0 HA LEU A 153 2.913 1.002 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 153 1.056 -0.231 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.824 -0.529 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 153 3.467 -1.077 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.743 -3.418 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.754 -2.311 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 153 1.109 -2.965 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.731 -2.655 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.137 -2.171 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.466 -0.990 -1.140 1.00 0.00 H new ATOM 258 N PHE A 154 1.134 2.340 -1.436 1.00 0.00 N ATOM 259 CA PHE A 154 0.143 3.197 -2.077 1.00 0.00 C ATOM 260 C PHE A 154 -0.977 2.365 -2.695 1.00 0.00 C ATOM 261 O PHE A 154 -0.747 1.575 -3.611 1.00 0.00 O ATOM 262 CB PHE A 154 0.805 4.061 -3.152 1.00 0.00 C ATOM 263 CG PHE A 154 -0.178 4.755 -4.052 1.00 0.00 C ATOM 264 CD1 PHE A 154 -0.663 4.125 -5.186 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.615 6.038 -3.763 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.568 4.761 -6.016 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.519 6.678 -4.589 1.00 0.00 C ATOM 268 CZ PHE A 154 -1.995 6.040 -5.717 1.00 0.00 C ATOM 0 H PHE A 154 1.887 2.033 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.289 3.845 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.434 4.809 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.461 3.435 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.331 3.126 -5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -0.245 6.543 -2.883 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -1.940 4.258 -6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.853 7.677 -4.352 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.700 6.540 -6.364 1.00 0.00 H new ATOM 278 N VAL A 155 -2.192 2.548 -2.187 1.00 0.00 N ATOM 279 CA VAL A 155 -3.349 1.816 -2.688 1.00 0.00 C ATOM 280 C VAL A 155 -4.301 2.741 -3.438 1.00 0.00 C ATOM 281 O VAL A 155 -4.612 3.837 -2.975 1.00 0.00 O ATOM 282 CB VAL A 155 -4.115 1.126 -1.544 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.078 0.087 -2.097 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.144 0.494 -0.558 1.00 0.00 C ATOM 0 H VAL A 155 -2.400 3.197 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 155 -2.971 1.056 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.697 1.879 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -5.610 -0.390 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -5.795 0.572 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -4.520 -0.666 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -3.703 0.011 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.534 -0.248 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.499 1.265 -0.137 1.00 0.00 H new ATOM 294 N GLY A 156 -4.762 2.289 -4.601 1.00 0.00 N ATOM 295 CA GLY A 156 -5.676 3.088 -5.397 1.00 0.00 C ATOM 296 C GLY A 156 -6.837 2.277 -5.936 1.00 0.00 C ATOM 297 O GLY A 156 -7.190 1.239 -5.377 1.00 0.00 O ATOM 0 H GLY A 156 -4.519 1.385 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -6.060 3.908 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -5.132 3.535 -6.229 1.00 0.00 H new ATOM 301 N MET A 157 -7.432 2.751 -7.026 1.00 0.00 N ATOM 302 CA MET A 157 -8.561 2.061 -7.640 1.00 0.00 C ATOM 303 C MET A 157 -9.571 1.624 -6.584 1.00 0.00 C ATOM 304 O MET A 157 -10.191 0.566 -6.704 1.00 0.00 O ATOM 305 CB MET A 157 -8.074 0.845 -8.431 1.00 0.00 C ATOM 306 CG MET A 157 -7.679 1.171 -9.863 1.00 0.00 C ATOM 307 SD MET A 157 -9.073 1.733 -10.858 1.00 0.00 S ATOM 308 CE MET A 157 -8.236 2.238 -12.359 1.00 0.00 C ATOM 0 H MET A 157 -7.152 3.609 -7.502 1.00 0.00 H new ATOM 0 HA MET A 157 -9.052 2.756 -8.321 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.218 0.406 -7.917 1.00 0.00 H new ATOM 0 HB3 MET A 157 -8.860 0.090 -8.442 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.908 1.942 -9.857 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.241 0.286 -10.325 1.00 0.00 H new ATOM 0 HE1 MET A 157 -8.968 2.611 -13.076 1.00 0.00 H new ATOM 0 HE2 MET A 157 -7.519 3.026 -12.128 1.00 0.00 H new ATOM 0 HE3 MET A 157 -7.711 1.384 -12.788 1.00 0.00 H new ATOM 318 N LEU A 158 -9.733 2.443 -5.551 1.00 0.00 N ATOM 319 CA LEU A 158 -10.668 2.141 -4.473 1.00 0.00 C ATOM 320 C LEU A 158 -12.025 2.789 -4.732 1.00 0.00 C ATOM 321 O LEU A 158 -12.161 3.636 -5.614 1.00 0.00 O ATOM 322 CB LEU A 158 -10.107 2.622 -3.134 1.00 0.00 C ATOM 323 CG LEU A 158 -8.927 1.826 -2.576 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.289 2.565 -1.410 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.376 0.437 -2.148 1.00 0.00 C ATOM 0 H LEU A 158 -9.229 3.322 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.803 1.060 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.798 3.662 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.911 2.605 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 158 -8.181 1.718 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.451 1.984 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.931 3.538 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -9.027 2.704 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.523 -0.116 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -10.141 0.524 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.786 -0.094 -3.007 1.00 0.00 H new ATOM 337 N ASN A 159 -13.025 2.386 -3.955 1.00 0.00 N ATOM 338 CA ASN A 159 -14.371 2.929 -4.099 1.00 0.00 C ATOM 339 C ASN A 159 -14.654 3.974 -3.024 1.00 0.00 C ATOM 340 O ASN A 159 -14.054 3.953 -1.949 1.00 0.00 O ATOM 341 CB ASN A 159 -15.407 1.806 -4.020 1.00 0.00 C ATOM 342 CG ASN A 159 -16.820 2.307 -4.249 1.00 0.00 C ATOM 343 OD1 ASN A 159 -17.447 2.864 -3.348 1.00 0.00 O ATOM 344 ND2 ASN A 159 -17.328 2.110 -5.460 1.00 0.00 N ATOM 0 H ASN A 159 -12.929 1.686 -3.220 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.440 3.410 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -15.170 1.044 -4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.348 1.328 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.274 2.425 -5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -16.772 1.644 -6.177 1.00 0.00 H new ATOM 351 N LYS A 160 -15.572 4.887 -3.321 1.00 0.00 N ATOM 352 CA LYS A 160 -15.937 5.940 -2.381 1.00 0.00 C ATOM 353 C LYS A 160 -16.985 5.444 -1.389 1.00 0.00 C ATOM 354 O LYS A 160 -17.929 6.162 -1.060 1.00 0.00 O ATOM 355 CB LYS A 160 -16.469 7.162 -3.133 1.00 0.00 C ATOM 356 CG LYS A 160 -15.447 7.799 -4.057 1.00 0.00 C ATOM 357 CD LYS A 160 -16.004 9.041 -4.733 1.00 0.00 C ATOM 358 CE LYS A 160 -15.082 9.536 -5.837 1.00 0.00 C ATOM 359 NZ LYS A 160 -15.471 10.890 -6.320 1.00 0.00 N ATOM 0 H LYS A 160 -16.077 4.919 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 160 -15.043 6.224 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.341 6.868 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.806 7.905 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.555 8.062 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -15.141 7.078 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -16.987 8.820 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.142 9.829 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -14.056 9.563 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -15.103 8.833 -6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -14.818 11.191 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -16.441 10.860 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -15.426 11.566 -5.531 1.00 0.00 H new ATOM 373 N GLN A 161 -16.811 4.214 -0.916 1.00 0.00 N ATOM 374 CA GLN A 161 -17.742 3.624 0.038 1.00 0.00 C ATOM 375 C GLN A 161 -17.002 3.086 1.259 1.00 0.00 C ATOM 376 O GLN A 161 -17.382 3.362 2.397 1.00 0.00 O ATOM 377 CB GLN A 161 -18.541 2.501 -0.624 1.00 0.00 C ATOM 378 CG GLN A 161 -19.557 1.849 0.301 1.00 0.00 C ATOM 379 CD GLN A 161 -20.139 0.575 -0.278 1.00 0.00 C ATOM 380 OE1 GLN A 161 -20.841 0.603 -1.290 1.00 0.00 O ATOM 381 NE2 GLN A 161 -19.852 -0.552 0.363 1.00 0.00 N ATOM 0 H GLN A 161 -16.034 3.607 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.429 4.404 0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -19.060 2.901 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -17.850 1.739 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -19.082 1.626 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -20.364 2.554 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -19.266 -0.529 1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -20.217 -1.441 0.021 1.00 0.00 H new ATOM 390 N GLN A 162 -15.946 2.318 1.013 1.00 0.00 N ATOM 391 CA GLN A 162 -15.154 1.740 2.093 1.00 0.00 C ATOM 392 C GLN A 162 -14.655 2.825 3.042 1.00 0.00 C ATOM 393 O GLN A 162 -14.669 4.010 2.708 1.00 0.00 O ATOM 394 CB GLN A 162 -13.969 0.959 1.523 1.00 0.00 C ATOM 395 CG GLN A 162 -14.373 -0.315 0.798 1.00 0.00 C ATOM 396 CD GLN A 162 -13.262 -0.867 -0.073 1.00 0.00 C ATOM 397 OE1 GLN A 162 -13.303 -2.169 -0.332 1.00 0.00 O flip ATOM 398 NE2 GLN A 162 -12.375 -0.132 -0.509 1.00 0.00 N flip ATOM 0 H GLN A 162 -15.619 2.081 0.076 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.793 1.058 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -13.419 1.600 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -13.288 0.705 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -14.664 -1.068 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -15.249 -0.115 0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -12.382 0.863 -0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -11.634 -0.519 -1.094 1.00 0.00 H new ATOM 407 N SER A 163 -14.214 2.411 4.225 1.00 0.00 N ATOM 408 CA SER A 163 -13.713 3.348 5.224 1.00 0.00 C ATOM 409 C SER A 163 -12.371 2.883 5.782 1.00 0.00 C ATOM 410 O SER A 163 -11.972 1.735 5.589 1.00 0.00 O ATOM 411 CB SER A 163 -14.725 3.502 6.362 1.00 0.00 C ATOM 412 OG SER A 163 -14.526 4.720 7.060 1.00 0.00 O ATOM 0 H SER A 163 -14.193 1.433 4.515 1.00 0.00 H new ATOM 0 HA SER A 163 -13.570 4.314 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 163 -15.737 3.471 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 163 -14.631 2.664 7.052 1.00 0.00 H new ATOM 0 HG SER A 163 -15.186 4.795 7.781 1.00 0.00 H new ATOM 418 N GLU A 164 -11.680 3.784 6.473 1.00 0.00 N ATOM 419 CA GLU A 164 -10.383 3.466 7.058 1.00 0.00 C ATOM 420 C GLU A 164 -10.419 2.111 7.759 1.00 0.00 C ATOM 421 O GLU A 164 -9.505 1.299 7.612 1.00 0.00 O ATOM 422 CB GLU A 164 -9.965 4.554 8.049 1.00 0.00 C ATOM 423 CG GLU A 164 -8.460 4.727 8.164 1.00 0.00 C ATOM 424 CD GLU A 164 -8.066 6.114 8.634 1.00 0.00 C ATOM 425 OE1 GLU A 164 -8.622 6.574 9.653 1.00 0.00 O ATOM 426 OE2 GLU A 164 -7.203 6.739 7.983 1.00 0.00 O ATOM 0 H GLU A 164 -11.996 4.739 6.641 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.652 3.419 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -10.409 5.502 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -10.371 4.314 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -8.065 3.986 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.001 4.532 7.195 1.00 0.00 H new ATOM 433 N ASP A 165 -11.481 1.874 8.521 1.00 0.00 N ATOM 434 CA ASP A 165 -11.638 0.618 9.245 1.00 0.00 C ATOM 435 C ASP A 165 -11.606 -0.569 8.287 1.00 0.00 C ATOM 436 O ASP A 165 -10.724 -1.424 8.370 1.00 0.00 O ATOM 437 CB ASP A 165 -12.949 0.619 10.032 1.00 0.00 C ATOM 438 CG ASP A 165 -14.023 1.457 9.368 1.00 0.00 C ATOM 439 OD1 ASP A 165 -14.040 2.686 9.592 1.00 0.00 O ATOM 440 OD2 ASP A 165 -14.846 0.885 8.623 1.00 0.00 O ATOM 0 H ASP A 165 -12.246 2.535 8.653 1.00 0.00 H new ATOM 0 HA ASP A 165 -10.805 0.522 9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -13.306 -0.405 10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -12.766 0.999 11.037 1.00 0.00 H new ATOM 445 N ASP A 166 -12.575 -0.615 7.378 1.00 0.00 N ATOM 446 CA ASP A 166 -12.658 -1.697 6.404 1.00 0.00 C ATOM 447 C ASP A 166 -11.275 -2.052 5.866 1.00 0.00 C ATOM 448 O ASP A 166 -10.871 -3.215 5.882 1.00 0.00 O ATOM 449 CB ASP A 166 -13.582 -1.303 5.250 1.00 0.00 C ATOM 450 CG ASP A 166 -14.974 -0.935 5.723 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.617 -1.775 6.385 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.421 0.194 5.430 1.00 0.00 O ATOM 0 H ASP A 166 -13.313 0.084 7.296 1.00 0.00 H new ATOM 0 HA ASP A 166 -13.069 -2.573 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.149 -0.459 4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.648 -2.130 4.543 1.00 0.00 H new ATOM 457 N VAL A 167 -10.554 -1.042 5.390 1.00 0.00 N ATOM 458 CA VAL A 167 -9.216 -1.248 4.847 1.00 0.00 C ATOM 459 C VAL A 167 -8.241 -1.676 5.938 1.00 0.00 C ATOM 460 O VAL A 167 -7.266 -2.379 5.671 1.00 0.00 O ATOM 461 CB VAL A 167 -8.683 0.029 4.169 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.183 -0.073 3.944 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.412 0.279 2.858 1.00 0.00 C ATOM 0 H VAL A 167 -10.873 -0.074 5.369 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.294 -2.040 4.102 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.870 0.876 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.824 0.838 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.679 -0.201 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -6.968 -0.929 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.023 1.185 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.258 -0.568 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.478 0.399 3.052 1.00 0.00 H new ATOM 473 N ARG A 168 -8.510 -1.248 7.167 1.00 0.00 N ATOM 474 CA ARG A 168 -7.655 -1.586 8.298 1.00 0.00 C ATOM 475 C ARG A 168 -7.620 -3.096 8.520 1.00 0.00 C ATOM 476 O ARG A 168 -6.572 -3.728 8.384 1.00 0.00 O ATOM 477 CB ARG A 168 -8.149 -0.886 9.565 1.00 0.00 C ATOM 478 CG ARG A 168 -7.113 -0.834 10.676 1.00 0.00 C ATOM 479 CD ARG A 168 -7.297 0.394 11.554 1.00 0.00 C ATOM 480 NE ARG A 168 -6.106 0.683 12.348 1.00 0.00 N ATOM 481 CZ ARG A 168 -6.105 1.488 13.404 1.00 0.00 C ATOM 482 NH1 ARG A 168 -7.226 2.081 13.791 1.00 0.00 N ATOM 483 NH2 ARG A 168 -4.981 1.702 14.076 1.00 0.00 N ATOM 0 H ARG A 168 -9.314 -0.666 7.405 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.645 -1.245 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -8.451 0.131 9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -9.037 -1.401 9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -7.188 -1.734 11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -6.113 -0.826 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -7.533 1.255 10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -8.147 0.240 12.219 1.00 0.00 H new ATOM 0 HE ARG A 168 -5.227 0.242 12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -8.092 1.919 13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -7.222 2.699 14.603 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -4.116 1.248 13.782 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -4.982 2.321 14.887 1.00 0.00 H new ATOM 497 N ARG A 169 -8.770 -3.666 8.862 1.00 0.00 N ATOM 498 CA ARG A 169 -8.870 -5.100 9.104 1.00 0.00 C ATOM 499 C ARG A 169 -8.470 -5.890 7.862 1.00 0.00 C ATOM 500 O ARG A 169 -7.597 -6.758 7.920 1.00 0.00 O ATOM 501 CB ARG A 169 -10.295 -5.471 9.520 1.00 0.00 C ATOM 502 CG ARG A 169 -10.551 -5.325 11.012 1.00 0.00 C ATOM 503 CD ARG A 169 -9.844 -6.411 11.807 1.00 0.00 C ATOM 504 NE ARG A 169 -10.594 -7.664 11.811 1.00 0.00 N ATOM 505 CZ ARG A 169 -10.345 -8.668 12.644 1.00 0.00 C ATOM 506 NH1 ARG A 169 -9.369 -8.566 13.537 1.00 0.00 N ATOM 507 NH2 ARG A 169 -11.072 -9.776 12.587 1.00 0.00 N ATOM 0 H ARG A 169 -9.646 -3.157 8.978 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.185 -5.355 9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.999 -4.842 8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.494 -6.501 9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.209 -4.346 11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -11.623 -5.371 11.205 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -8.854 -6.583 11.385 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -9.699 -6.073 12.833 1.00 0.00 H new ATOM 0 HE ARG A 169 -11.351 -7.774 11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -8.808 -7.715 13.585 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -9.179 -9.338 14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -11.824 -9.858 11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -10.879 -10.546 13.228 1.00 0.00 H new ATOM 521 N LEU A 170 -9.113 -5.585 6.741 1.00 0.00 N ATOM 522 CA LEU A 170 -8.824 -6.267 5.484 1.00 0.00 C ATOM 523 C LEU A 170 -7.322 -6.456 5.299 1.00 0.00 C ATOM 524 O LEU A 170 -6.822 -7.581 5.303 1.00 0.00 O ATOM 525 CB LEU A 170 -9.399 -5.476 4.308 1.00 0.00 C ATOM 526 CG LEU A 170 -9.577 -6.249 3.001 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.847 -7.085 3.044 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.605 -5.295 1.816 1.00 0.00 C ATOM 0 H LEU A 170 -9.838 -4.870 6.676 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.293 -7.250 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.368 -5.076 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.747 -4.623 4.116 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.727 -6.921 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.957 -7.628 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.788 -7.795 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.708 -6.432 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.732 -5.863 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.435 -4.598 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.668 -4.740 1.773 1.00 0.00 H new ATOM 540 N PHE A 171 -6.607 -5.348 5.138 1.00 0.00 N ATOM 541 CA PHE A 171 -5.161 -5.391 4.953 1.00 0.00 C ATOM 542 C PHE A 171 -4.493 -6.186 6.071 1.00 0.00 C ATOM 543 O PHE A 171 -4.023 -7.303 5.856 1.00 0.00 O ATOM 544 CB PHE A 171 -4.589 -3.973 4.908 1.00 0.00 C ATOM 545 CG PHE A 171 -4.749 -3.303 3.573 1.00 0.00 C ATOM 546 CD1 PHE A 171 -6.007 -3.106 3.029 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.640 -2.871 2.863 1.00 0.00 C ATOM 548 CE1 PHE A 171 -6.157 -2.491 1.800 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.784 -2.255 1.634 1.00 0.00 C ATOM 550 CZ PHE A 171 -5.044 -2.064 1.102 1.00 0.00 C ATOM 0 H PHE A 171 -7.005 -4.409 5.132 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.956 -5.888 4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -5.080 -3.368 5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.530 -4.009 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.881 -3.436 3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.652 -3.017 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -7.144 -2.344 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.912 -1.923 1.090 1.00 0.00 H new ATOM 0 HZ PHE A 171 -5.159 -1.582 0.142 1.00 0.00 H new ATOM 560 N GLU A 172 -4.456 -5.601 7.264 1.00 0.00 N ATOM 561 CA GLU A 172 -3.844 -6.254 8.416 1.00 0.00 C ATOM 562 C GLU A 172 -4.196 -7.739 8.449 1.00 0.00 C ATOM 563 O GLU A 172 -3.419 -8.560 8.935 1.00 0.00 O ATOM 564 CB GLU A 172 -4.299 -5.582 9.713 1.00 0.00 C ATOM 565 CG GLU A 172 -5.556 -6.194 10.307 1.00 0.00 C ATOM 566 CD GLU A 172 -5.963 -5.539 11.612 1.00 0.00 C ATOM 567 OE1 GLU A 172 -6.118 -4.300 11.632 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.127 -6.266 12.615 1.00 0.00 O ATOM 0 H GLU A 172 -4.842 -4.677 7.458 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.762 -6.156 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.494 -5.643 10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.476 -4.524 9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.372 -6.105 9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.393 -7.259 10.474 1.00 0.00 H new ATOM 575 N ALA A 173 -5.372 -8.074 7.929 1.00 0.00 N ATOM 576 CA ALA A 173 -5.826 -9.459 7.897 1.00 0.00 C ATOM 577 C ALA A 173 -4.681 -10.405 7.550 1.00 0.00 C ATOM 578 O ALA A 173 -4.661 -11.557 7.983 1.00 0.00 O ATOM 579 CB ALA A 173 -6.965 -9.618 6.902 1.00 0.00 C ATOM 0 H ALA A 173 -6.028 -7.406 7.524 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.188 -9.720 8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.294 -10.657 6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.797 -8.978 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.622 -9.333 5.907 1.00 0.00 H new ATOM 585 N PHE A 174 -3.730 -9.911 6.764 1.00 0.00 N ATOM 586 CA PHE A 174 -2.582 -10.713 6.356 1.00 0.00 C ATOM 587 C PHE A 174 -1.327 -10.290 7.113 1.00 0.00 C ATOM 588 O PHE A 174 -0.868 -10.988 8.016 1.00 0.00 O ATOM 589 CB PHE A 174 -2.352 -10.583 4.849 1.00 0.00 C ATOM 590 CG PHE A 174 -3.534 -11.000 4.023 1.00 0.00 C ATOM 591 CD1 PHE A 174 -3.686 -12.318 3.624 1.00 0.00 C ATOM 592 CD2 PHE A 174 -4.495 -10.075 3.647 1.00 0.00 C ATOM 593 CE1 PHE A 174 -4.773 -12.705 2.863 1.00 0.00 C ATOM 594 CE2 PHE A 174 -5.584 -10.456 2.886 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.724 -11.773 2.495 1.00 0.00 C ATOM 0 H PHE A 174 -3.731 -8.959 6.397 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.794 -11.755 6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.103 -9.548 4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.491 -11.189 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -2.947 -13.051 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -4.392 -9.044 3.952 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -4.879 -13.735 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -6.325 -9.725 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.575 -12.074 1.903 1.00 0.00 H new ATOM 605 N GLY A 175 -0.775 -9.140 6.736 1.00 0.00 N ATOM 606 CA GLY A 175 0.423 -8.643 7.388 1.00 0.00 C ATOM 607 C GLY A 175 0.136 -7.484 8.321 1.00 0.00 C ATOM 608 O GLY A 175 -0.644 -6.592 7.992 1.00 0.00 O ATOM 0 H GLY A 175 -1.136 -8.544 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.889 -9.452 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 175 1.141 -8.327 6.631 1.00 0.00 H new ATOM 612 N ASN A 176 0.768 -7.497 9.490 1.00 0.00 N ATOM 613 CA ASN A 176 0.575 -6.440 10.476 1.00 0.00 C ATOM 614 C ASN A 176 0.706 -5.064 9.830 1.00 0.00 C ATOM 615 O ASN A 176 1.392 -4.904 8.820 1.00 0.00 O ATOM 616 CB ASN A 176 1.589 -6.581 11.612 1.00 0.00 C ATOM 617 CG ASN A 176 1.830 -8.029 11.995 1.00 0.00 C ATOM 618 OD1 ASN A 176 2.516 -8.764 11.286 1.00 0.00 O ATOM 619 ND2 ASN A 176 1.264 -8.444 13.123 1.00 0.00 N ATOM 0 H ASN A 176 1.418 -8.228 9.778 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.431 -6.537 10.883 1.00 0.00 H new ATOM 0 HB2 ASN A 176 2.533 -6.125 11.312 1.00 0.00 H new ATOM 0 HB3 ASN A 176 1.233 -6.032 12.484 1.00 0.00 H new ATOM 0 HD21 ASN A 176 1.390 -9.408 13.433 1.00 0.00 H new ATOM 0 HD22 ASN A 176 0.703 -7.799 13.679 1.00 0.00 H new ATOM 626 N ILE A 177 0.046 -4.073 10.420 1.00 0.00 N ATOM 627 CA ILE A 177 0.091 -2.711 9.903 1.00 0.00 C ATOM 628 C ILE A 177 0.633 -1.744 10.950 1.00 0.00 C ATOM 629 O ILE A 177 0.289 -1.833 12.128 1.00 0.00 O ATOM 630 CB ILE A 177 -1.302 -2.234 9.452 1.00 0.00 C ATOM 631 CG1 ILE A 177 -1.801 -3.081 8.280 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.260 -0.762 9.069 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.204 -2.732 7.835 1.00 0.00 C ATOM 0 H ILE A 177 -0.526 -4.188 11.256 1.00 0.00 H new ATOM 0 HA ILE A 177 0.759 -2.722 9.041 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.997 -2.353 10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.120 -2.958 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.770 -4.133 8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.252 -0.440 8.752 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -0.944 -0.171 9.929 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.554 -0.619 8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.491 -3.372 7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.896 -2.883 8.663 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.237 -1.689 7.520 1.00 0.00 H new ATOM 645 N GLU A 178 1.481 -0.819 10.511 1.00 0.00 N ATOM 646 CA GLU A 178 2.069 0.166 11.410 1.00 0.00 C ATOM 647 C GLU A 178 1.175 1.396 11.531 1.00 0.00 C ATOM 648 O GLU A 178 0.881 1.857 12.633 1.00 0.00 O ATOM 649 CB GLU A 178 3.457 0.578 10.914 1.00 0.00 C ATOM 650 CG GLU A 178 4.568 -0.353 11.370 1.00 0.00 C ATOM 651 CD GLU A 178 4.444 -0.737 12.832 1.00 0.00 C ATOM 652 OE1 GLU A 178 4.720 0.123 13.696 1.00 0.00 O ATOM 653 OE2 GLU A 178 4.071 -1.895 13.113 1.00 0.00 O ATOM 0 H GLU A 178 1.776 -0.732 9.538 1.00 0.00 H new ATOM 0 HA GLU A 178 2.163 -0.291 12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.448 0.613 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.674 1.587 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 178 4.555 -1.255 10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 178 5.532 0.129 11.205 1.00 0.00 H new ATOM 660 N GLU A 179 0.746 1.923 10.388 1.00 0.00 N ATOM 661 CA GLU A 179 -0.114 3.100 10.365 1.00 0.00 C ATOM 662 C GLU A 179 -1.014 3.094 9.133 1.00 0.00 C ATOM 663 O GLU A 179 -0.731 2.409 8.148 1.00 0.00 O ATOM 664 CB GLU A 179 0.730 4.376 10.387 1.00 0.00 C ATOM 665 CG GLU A 179 1.029 4.884 11.787 1.00 0.00 C ATOM 666 CD GLU A 179 -0.024 5.851 12.295 1.00 0.00 C ATOM 667 OE1 GLU A 179 0.031 7.039 11.915 1.00 0.00 O ATOM 668 OE2 GLU A 179 -0.901 5.419 13.071 1.00 0.00 O ATOM 0 H GLU A 179 0.980 1.553 9.467 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.745 3.074 11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.671 4.188 9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 179 0.210 5.155 9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 179 1.098 4.037 12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 179 2.001 5.377 11.791 1.00 0.00 H new ATOM 675 N CYS A 180 -2.098 3.859 9.195 1.00 0.00 N ATOM 676 CA CYS A 180 -3.041 3.940 8.085 1.00 0.00 C ATOM 677 C CYS A 180 -3.636 5.341 7.979 1.00 0.00 C ATOM 678 O CYS A 180 -4.029 5.938 8.982 1.00 0.00 O ATOM 679 CB CYS A 180 -4.157 2.910 8.260 1.00 0.00 C ATOM 680 SG CYS A 180 -5.329 2.851 6.884 1.00 0.00 S ATOM 0 H CYS A 180 -2.346 4.432 10.002 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.500 3.724 7.164 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.710 1.924 8.385 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.701 3.132 9.178 1.00 0.00 H new ATOM 0 HG CYS A 180 -6.234 1.949 7.123 1.00 0.00 H new ATOM 686 N THR A 181 -3.699 5.861 6.757 1.00 0.00 N ATOM 687 CA THR A 181 -4.243 7.192 6.520 1.00 0.00 C ATOM 688 C THR A 181 -4.946 7.266 5.170 1.00 0.00 C ATOM 689 O THR A 181 -4.303 7.215 4.121 1.00 0.00 O ATOM 690 CB THR A 181 -3.142 8.267 6.573 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.518 8.267 7.861 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.716 9.645 6.282 1.00 0.00 C ATOM 0 H THR A 181 -3.380 5.380 5.916 1.00 0.00 H new ATOM 0 HA THR A 181 -4.965 7.384 7.313 1.00 0.00 H new ATOM 0 HB THR A 181 -2.399 8.032 5.810 1.00 0.00 H new ATOM 0 HG1 THR A 181 -1.818 8.952 7.885 1.00 0.00 H new ATOM 0 HG21 THR A 181 -2.919 10.388 6.325 1.00 0.00 H new ATOM 0 HG22 THR A 181 -4.163 9.650 5.288 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.477 9.886 7.024 1.00 0.00 H new ATOM 700 N ILE A 182 -6.269 7.387 5.203 1.00 0.00 N ATOM 701 CA ILE A 182 -7.059 7.470 3.980 1.00 0.00 C ATOM 702 C ILE A 182 -6.861 8.814 3.288 1.00 0.00 C ATOM 703 O ILE A 182 -6.809 9.858 3.939 1.00 0.00 O ATOM 704 CB ILE A 182 -8.559 7.267 4.264 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.768 6.059 5.180 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.325 7.090 2.961 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.316 4.752 4.568 1.00 0.00 C ATOM 0 H ILE A 182 -6.816 7.430 6.063 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.711 6.672 3.324 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.942 8.153 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.226 6.221 6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.825 5.985 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.384 6.948 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -9.198 7.977 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -8.943 6.218 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.494 3.940 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.876 4.567 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -7.252 4.807 4.338 1.00 0.00 H new ATOM 719 N LEU A 183 -6.753 8.782 1.965 1.00 0.00 N ATOM 720 CA LEU A 183 -6.562 9.998 1.182 1.00 0.00 C ATOM 721 C LEU A 183 -7.904 10.592 0.764 1.00 0.00 C ATOM 722 O LEU A 183 -8.783 9.881 0.275 1.00 0.00 O ATOM 723 CB LEU A 183 -5.713 9.705 -0.055 1.00 0.00 C ATOM 724 CG LEU A 183 -4.205 9.601 0.175 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.501 9.146 -1.095 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.644 10.933 0.650 1.00 0.00 C ATOM 0 H LEU A 183 -6.794 7.927 1.411 1.00 0.00 H new ATOM 0 HA LEU A 183 -6.042 10.725 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -6.059 8.769 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.895 10.489 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.026 8.857 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.429 9.078 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.881 8.169 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.688 9.865 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.570 10.840 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.835 11.697 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.125 11.218 1.586 1.00 0.00 H new ATOM 816 N SER A 190 -13.606 10.898 -0.855 1.00 0.00 N ATOM 817 CA SER A 190 -12.442 10.035 -1.023 1.00 0.00 C ATOM 818 C SER A 190 -12.039 9.947 -2.492 1.00 0.00 C ATOM 819 O SER A 190 -12.887 9.828 -3.375 1.00 0.00 O ATOM 820 CB SER A 190 -12.736 8.635 -0.479 1.00 0.00 C ATOM 821 OG SER A 190 -11.560 7.845 -0.444 1.00 0.00 O ATOM 0 HA SER A 190 -11.614 10.469 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 190 -13.156 8.712 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 190 -13.486 8.149 -1.103 1.00 0.00 H new ATOM 0 HG SER A 190 -11.774 6.956 -0.091 1.00 0.00 H new ATOM 827 N LYS A 191 -10.736 10.007 -2.745 1.00 0.00 N ATOM 828 CA LYS A 191 -10.216 9.934 -4.105 1.00 0.00 C ATOM 829 C LYS A 191 -9.876 8.495 -4.481 1.00 0.00 C ATOM 830 O LYS A 191 -9.157 8.249 -5.448 1.00 0.00 O ATOM 831 CB LYS A 191 -8.974 10.816 -4.247 1.00 0.00 C ATOM 832 CG LYS A 191 -9.286 12.245 -4.656 1.00 0.00 C ATOM 833 CD LYS A 191 -8.052 12.957 -5.183 1.00 0.00 C ATOM 834 CE LYS A 191 -8.424 14.155 -6.042 1.00 0.00 C ATOM 835 NZ LYS A 191 -7.279 14.617 -6.875 1.00 0.00 N ATOM 0 H LYS A 191 -10.020 10.106 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.990 10.295 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -8.437 10.828 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.307 10.373 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -10.061 12.244 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -9.684 12.790 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -7.435 13.285 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -7.451 12.261 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -9.261 13.892 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -8.760 14.971 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -7.573 15.435 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -6.489 14.892 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -6.975 13.847 -7.504 1.00 0.00 H new ATOM 849 N GLY A 192 -10.400 7.547 -3.710 1.00 0.00 N ATOM 850 CA GLY A 192 -10.142 6.144 -3.979 1.00 0.00 C ATOM 851 C GLY A 192 -8.685 5.776 -3.785 1.00 0.00 C ATOM 852 O GLY A 192 -8.105 5.056 -4.599 1.00 0.00 O ATOM 0 H GLY A 192 -10.999 7.725 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.759 5.532 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.439 5.913 -5.002 1.00 0.00 H new ATOM 856 N CYS A 193 -8.090 6.270 -2.705 1.00 0.00 N ATOM 857 CA CYS A 193 -6.690 5.991 -2.407 1.00 0.00 C ATOM 858 C CYS A 193 -6.418 6.108 -0.911 1.00 0.00 C ATOM 859 O CYS A 193 -7.137 6.801 -0.192 1.00 0.00 O ATOM 860 CB CYS A 193 -5.781 6.948 -3.179 1.00 0.00 C ATOM 861 SG CYS A 193 -6.519 8.568 -3.501 1.00 0.00 S ATOM 0 H CYS A 193 -8.556 6.866 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.476 4.968 -2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -4.857 7.087 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -5.511 6.488 -4.130 1.00 0.00 H new ATOM 0 HG CYS A 193 -5.674 9.307 -4.157 1.00 0.00 H new ATOM 867 N ALA A 194 -5.377 5.424 -0.448 1.00 0.00 N ATOM 868 CA ALA A 194 -5.010 5.451 0.962 1.00 0.00 C ATOM 869 C ALA A 194 -3.580 4.962 1.167 1.00 0.00 C ATOM 870 O ALA A 194 -3.046 4.214 0.349 1.00 0.00 O ATOM 871 CB ALA A 194 -5.980 4.608 1.776 1.00 0.00 C ATOM 0 H ALA A 194 -4.772 4.844 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 194 -5.066 6.484 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.694 4.637 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -6.989 5.004 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -5.953 3.578 1.421 1.00 0.00 H new ATOM 877 N PHE A 195 -2.965 5.391 2.264 1.00 0.00 N ATOM 878 CA PHE A 195 -1.596 4.998 2.576 1.00 0.00 C ATOM 879 C PHE A 195 -1.564 4.012 3.740 1.00 0.00 C ATOM 880 O PHE A 195 -1.997 4.329 4.848 1.00 0.00 O ATOM 881 CB PHE A 195 -0.753 6.230 2.913 1.00 0.00 C ATOM 882 CG PHE A 195 -0.281 6.983 1.703 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.734 6.476 0.907 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.851 8.198 1.360 1.00 0.00 C ATOM 885 CE1 PHE A 195 1.171 7.167 -0.207 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.419 8.894 0.247 1.00 0.00 C ATOM 887 CZ PHE A 195 0.593 8.377 -0.538 1.00 0.00 C ATOM 0 H PHE A 195 -3.393 6.011 2.952 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.176 4.508 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.339 6.900 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.113 5.919 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 195 1.189 5.530 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.643 8.607 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.964 6.761 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.872 9.841 -0.009 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.932 8.918 -1.409 1.00 0.00 H new ATOM 897 N VAL A 196 -1.050 2.814 3.480 1.00 0.00 N ATOM 898 CA VAL A 196 -0.961 1.781 4.505 1.00 0.00 C ATOM 899 C VAL A 196 0.480 1.320 4.697 1.00 0.00 C ATOM 900 O VAL A 196 1.222 1.146 3.731 1.00 0.00 O ATOM 901 CB VAL A 196 -1.835 0.564 4.151 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.792 -0.467 5.269 1.00 0.00 C ATOM 903 CG2 VAL A 196 -3.266 0.999 3.871 1.00 0.00 C ATOM 0 H VAL A 196 -0.689 2.535 2.568 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.324 2.223 5.433 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.436 0.103 3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.415 -1.320 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.765 -0.800 5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -2.165 -0.020 6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.870 0.126 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.678 1.485 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -3.277 1.698 3.034 1.00 0.00 H new ATOM 913 N LYS A 197 0.870 1.124 5.952 1.00 0.00 N ATOM 914 CA LYS A 197 2.221 0.681 6.273 1.00 0.00 C ATOM 915 C LYS A 197 2.206 -0.720 6.876 1.00 0.00 C ATOM 916 O LYS A 197 1.175 -1.186 7.363 1.00 0.00 O ATOM 917 CB LYS A 197 2.882 1.659 7.247 1.00 0.00 C ATOM 918 CG LYS A 197 3.100 3.044 6.664 1.00 0.00 C ATOM 919 CD LYS A 197 1.878 3.927 6.853 1.00 0.00 C ATOM 920 CE LYS A 197 2.240 5.403 6.788 1.00 0.00 C ATOM 921 NZ LYS A 197 2.901 5.867 8.039 1.00 0.00 N ATOM 0 H LYS A 197 0.269 1.265 6.764 1.00 0.00 H new ATOM 0 HA LYS A 197 2.797 0.653 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.263 1.743 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 197 3.843 1.251 7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 197 3.963 3.509 7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 197 3.329 2.961 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 197 1.140 3.698 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 197 1.414 3.707 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 197 2.903 5.577 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 197 1.339 5.991 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 3.620 6.582 7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 2.190 6.284 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 3.355 5.060 8.512 1.00 0.00 H new ATOM 935 N TYR A 198 3.354 -1.387 6.840 1.00 0.00 N ATOM 936 CA TYR A 198 3.472 -2.736 7.382 1.00 0.00 C ATOM 937 C TYR A 198 4.693 -2.854 8.288 1.00 0.00 C ATOM 938 O TYR A 198 5.501 -1.930 8.384 1.00 0.00 O ATOM 939 CB TYR A 198 3.564 -3.757 6.247 1.00 0.00 C ATOM 940 CG TYR A 198 2.217 -4.198 5.718 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.488 -3.387 4.857 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.676 -5.425 6.079 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.257 -3.786 4.373 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.446 -5.833 5.598 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.259 -5.009 4.745 1.00 0.00 C ATOM 946 OH TYR A 198 -1.484 -5.410 4.264 1.00 0.00 O ATOM 0 H TYR A 198 4.216 -1.016 6.441 1.00 0.00 H new ATOM 0 HA TYR A 198 2.581 -2.942 7.976 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.143 -3.328 5.429 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.110 -4.632 6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.890 -2.429 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.226 -6.072 6.747 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.298 -3.143 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 198 0.039 -6.791 5.888 1.00 0.00 H new ATOM 0 HH TYR A 198 -1.739 -4.844 3.506 1.00 0.00 H new ATOM 956 N SER A 199 4.822 -3.999 8.950 1.00 0.00 N ATOM 957 CA SER A 199 5.943 -4.239 9.851 1.00 0.00 C ATOM 958 C SER A 199 7.229 -4.481 9.067 1.00 0.00 C ATOM 959 O SER A 199 8.282 -3.937 9.398 1.00 0.00 O ATOM 960 CB SER A 199 5.650 -5.439 10.755 1.00 0.00 C ATOM 961 OG SER A 199 6.723 -5.677 11.650 1.00 0.00 O ATOM 0 H SER A 199 4.164 -4.775 8.879 1.00 0.00 H new ATOM 0 HA SER A 199 6.077 -3.351 10.469 1.00 0.00 H new ATOM 0 HB2 SER A 199 4.735 -5.259 11.319 1.00 0.00 H new ATOM 0 HB3 SER A 199 5.478 -6.325 10.144 1.00 0.00 H new ATOM 0 HG SER A 199 6.511 -6.447 12.217 1.00 0.00 H new ATOM 967 N SER A 200 7.134 -5.301 8.025 1.00 0.00 N ATOM 968 CA SER A 200 8.290 -5.618 7.195 1.00 0.00 C ATOM 969 C SER A 200 7.887 -5.745 5.729 1.00 0.00 C ATOM 970 O SER A 200 6.717 -5.586 5.378 1.00 0.00 O ATOM 971 CB SER A 200 8.944 -6.917 7.669 1.00 0.00 C ATOM 972 OG SER A 200 10.329 -6.931 7.367 1.00 0.00 O ATOM 0 H SER A 200 6.269 -5.757 7.736 1.00 0.00 H new ATOM 0 HA SER A 200 9.008 -4.803 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.802 -7.028 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 200 8.456 -7.768 7.193 1.00 0.00 H new ATOM 0 HG SER A 200 10.724 -7.771 7.682 1.00 0.00 H new ATOM 978 N HIS A 201 8.865 -6.032 4.875 1.00 0.00 N ATOM 979 CA HIS A 201 8.614 -6.181 3.446 1.00 0.00 C ATOM 980 C HIS A 201 7.759 -7.414 3.170 1.00 0.00 C ATOM 981 O HIS A 201 6.651 -7.308 2.645 1.00 0.00 O ATOM 982 CB HIS A 201 9.934 -6.280 2.682 1.00 0.00 C ATOM 983 CG HIS A 201 9.764 -6.624 1.235 1.00 0.00 C ATOM 984 ND1 HIS A 201 9.297 -7.847 0.802 1.00 0.00 N ATOM 985 CD2 HIS A 201 10.001 -5.897 0.118 1.00 0.00 C ATOM 986 CE1 HIS A 201 9.255 -7.857 -0.519 1.00 0.00 C ATOM 987 NE2 HIS A 201 9.676 -6.685 -0.958 1.00 0.00 N ATOM 0 H HIS A 201 9.839 -6.166 5.148 1.00 0.00 H new ATOM 0 HA HIS A 201 8.071 -5.300 3.104 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.462 -5.330 2.761 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.562 -7.035 3.155 1.00 0.00 H new ATOM 0 HD2 HIS A 201 10.376 -4.885 0.080 1.00 0.00 H new ATOM 0 HE1 HIS A 201 8.931 -8.683 -1.135 1.00 0.00 H new ATOM 0 HE2 HIS A 201 9.748 -6.410 -1.938 1.00 0.00 H new ATOM 995 N ALA A 202 8.282 -8.582 3.528 1.00 0.00 N ATOM 996 CA ALA A 202 7.566 -9.835 3.320 1.00 0.00 C ATOM 997 C ALA A 202 6.063 -9.643 3.490 1.00 0.00 C ATOM 998 O ALA A 202 5.293 -9.837 2.549 1.00 0.00 O ATOM 999 CB ALA A 202 8.076 -10.900 4.280 1.00 0.00 C ATOM 0 H ALA A 202 9.198 -8.687 3.963 1.00 0.00 H new ATOM 0 HA ALA A 202 7.750 -10.165 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.533 -11.830 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 202 9.140 -11.065 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.922 -10.568 5.307 1.00 0.00 H new ATOM 1005 N GLU A 203 5.652 -9.262 4.695 1.00 0.00 N ATOM 1006 CA GLU A 203 4.240 -9.046 4.987 1.00 0.00 C ATOM 1007 C GLU A 203 3.593 -8.162 3.924 1.00 0.00 C ATOM 1008 O GLU A 203 2.513 -8.468 3.421 1.00 0.00 O ATOM 1009 CB GLU A 203 4.073 -8.407 6.368 1.00 0.00 C ATOM 1010 CG GLU A 203 4.237 -9.388 7.516 1.00 0.00 C ATOM 1011 CD GLU A 203 5.690 -9.721 7.796 1.00 0.00 C ATOM 1012 OE1 GLU A 203 6.428 -8.822 8.252 1.00 0.00 O ATOM 1013 OE2 GLU A 203 6.088 -10.880 7.560 1.00 0.00 O ATOM 0 H GLU A 203 6.276 -9.097 5.484 1.00 0.00 H new ATOM 0 HA GLU A 203 3.742 -10.016 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.803 -7.606 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 203 3.086 -7.949 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 203 3.785 -8.969 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 203 3.696 -10.306 7.285 1.00 0.00 H new ATOM 1020 N ALA A 204 4.263 -7.064 3.589 1.00 0.00 N ATOM 1021 CA ALA A 204 3.756 -6.136 2.586 1.00 0.00 C ATOM 1022 C ALA A 204 3.388 -6.866 1.299 1.00 0.00 C ATOM 1023 O ALA A 204 2.251 -6.789 0.835 1.00 0.00 O ATOM 1024 CB ALA A 204 4.784 -5.050 2.304 1.00 0.00 C ATOM 0 H ALA A 204 5.158 -6.796 3.998 1.00 0.00 H new ATOM 0 HA ALA A 204 2.852 -5.672 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.392 -4.364 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.995 -4.501 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.703 -5.506 1.935 1.00 0.00 H new ATOM 1030 N GLN A 205 4.357 -7.574 0.728 1.00 0.00 N ATOM 1031 CA GLN A 205 4.134 -8.317 -0.507 1.00 0.00 C ATOM 1032 C GLN A 205 2.929 -9.243 -0.375 1.00 0.00 C ATOM 1033 O GLN A 205 2.084 -9.308 -1.267 1.00 0.00 O ATOM 1034 CB GLN A 205 5.378 -9.129 -0.870 1.00 0.00 C ATOM 1035 CG GLN A 205 5.382 -9.627 -2.307 1.00 0.00 C ATOM 1036 CD GLN A 205 5.515 -8.501 -3.313 1.00 0.00 C ATOM 1037 OE1 GLN A 205 6.337 -7.599 -3.149 1.00 0.00 O ATOM 1038 NE2 GLN A 205 4.704 -8.548 -4.364 1.00 0.00 N ATOM 0 H GLN A 205 5.304 -7.649 1.100 1.00 0.00 H new ATOM 0 HA GLN A 205 3.932 -7.599 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.263 -8.515 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.453 -9.984 -0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 205 6.205 -10.329 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.460 -10.175 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 205 4.038 -9.314 -4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 205 4.748 -7.818 -5.075 1.00 0.00 H new ATOM 1047 N ALA A 206 2.856 -9.956 0.744 1.00 0.00 N ATOM 1048 CA ALA A 206 1.754 -10.877 0.993 1.00 0.00 C ATOM 1049 C ALA A 206 0.409 -10.206 0.732 1.00 0.00 C ATOM 1050 O ALA A 206 -0.414 -10.719 -0.025 1.00 0.00 O ATOM 1051 CB ALA A 206 1.816 -11.401 2.420 1.00 0.00 C ATOM 0 H ALA A 206 3.547 -9.913 1.493 1.00 0.00 H new ATOM 0 HA ALA A 206 1.852 -11.717 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.987 -12.088 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.759 -11.925 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.746 -10.566 3.117 1.00 0.00 H new ATOM 1057 N ALA A 207 0.193 -9.058 1.366 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.051 -8.317 1.201 1.00 0.00 C ATOM 1059 C ALA A 207 -1.214 -7.830 -0.235 1.00 0.00 C ATOM 1060 O ALA A 207 -2.311 -7.869 -0.792 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.098 -7.142 2.167 1.00 0.00 C ATOM 0 H ALA A 207 0.864 -8.621 1.998 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.878 -8.991 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -2.033 -6.598 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -1.037 -7.510 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.258 -6.475 1.970 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.117 -7.372 -0.828 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.139 -6.879 -2.199 1.00 0.00 C ATOM 1069 C ILE A 208 -0.687 -7.934 -3.154 1.00 0.00 C ATOM 1070 O ILE A 208 -1.754 -7.760 -3.741 1.00 0.00 O ATOM 1071 CB ILE A 208 1.266 -6.457 -2.669 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.695 -5.166 -1.969 1.00 0.00 C ATOM 1073 CG2 ILE A 208 1.288 -6.279 -4.180 1.00 0.00 C ATOM 1074 CD1 ILE A 208 3.139 -4.793 -2.220 1.00 0.00 C ATOM 0 H ILE A 208 0.799 -7.332 -0.380 1.00 0.00 H new ATOM 0 HA ILE A 208 -0.793 -6.007 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 208 1.973 -7.244 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 208 1.054 -4.350 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.538 -5.275 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 208 2.287 -5.981 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 208 1.020 -7.220 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.572 -5.509 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.373 -3.868 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.789 -5.590 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.298 -4.652 -3.289 1.00 0.00 H new ATOM 1086 N ASN A 209 0.052 -9.028 -3.304 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.360 -10.113 -4.188 1.00 0.00 C ATOM 1088 C ASN A 209 -1.707 -10.685 -3.755 1.00 0.00 C ATOM 1089 O ASN A 209 -2.539 -11.039 -4.590 1.00 0.00 O ATOM 1090 CB ASN A 209 0.697 -11.220 -4.199 1.00 0.00 C ATOM 1091 CG ASN A 209 0.242 -12.446 -4.966 1.00 0.00 C ATOM 1092 OD1 ASN A 209 0.261 -12.463 -6.197 1.00 0.00 O ATOM 1093 ND2 ASN A 209 -0.169 -13.479 -4.241 1.00 0.00 N ATOM 0 H ASN A 209 0.939 -9.187 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.463 -9.709 -5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 209 1.616 -10.837 -4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 209 0.933 -11.503 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 209 -0.486 -14.332 -4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 209 -0.168 -13.420 -3.223 1.00 0.00 H new ATOM 1100 N ALA A 210 -1.914 -10.771 -2.445 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.160 -11.297 -1.902 1.00 0.00 C ATOM 1102 C ALA A 210 -4.321 -10.346 -2.170 1.00 0.00 C ATOM 1103 O ALA A 210 -5.484 -10.751 -2.161 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.018 -11.552 -0.408 1.00 0.00 C ATOM 0 H ALA A 210 -1.235 -10.483 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.376 -12.241 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -3.956 -11.945 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.221 -12.276 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -2.775 -10.618 0.099 1.00 0.00 H new ATOM 1110 N LEU A 211 -3.999 -9.079 -2.409 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.016 -8.069 -2.680 1.00 0.00 C ATOM 1112 C LEU A 211 -4.903 -7.553 -4.111 1.00 0.00 C ATOM 1113 O LEU A 211 -5.716 -7.894 -4.970 1.00 0.00 O ATOM 1114 CB LEU A 211 -4.883 -6.907 -1.694 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.259 -7.210 -0.244 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -4.845 -6.064 0.666 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -6.753 -7.475 -0.124 1.00 0.00 C ATOM 0 H LEU A 211 -3.042 -8.727 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 211 -5.995 -8.532 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -3.851 -6.556 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -5.507 -6.085 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.725 -8.107 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.121 -6.298 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -3.766 -5.921 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -5.351 -5.150 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -7.002 -7.689 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.306 -6.597 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -7.022 -8.330 -0.745 1.00 0.00 H new ATOM 1129 N HIS A 212 -3.889 -6.730 -4.360 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.668 -6.169 -5.688 1.00 0.00 C ATOM 1131 C HIS A 212 -3.646 -7.269 -6.745 1.00 0.00 C ATOM 1132 O HIS A 212 -2.898 -8.239 -6.631 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.354 -5.387 -5.722 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.813 -5.186 -7.104 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.479 -4.472 -8.077 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.660 -5.609 -7.673 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.761 -4.466 -9.185 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.651 -5.149 -8.966 1.00 0.00 N ATOM 0 H HIS A 212 -3.208 -6.437 -3.660 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.492 -5.491 -5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.508 -4.414 -5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.611 -5.914 -5.123 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.385 -4.019 -7.959 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.110 -6.199 -7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -2.034 -3.985 -10.112 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.473 -7.110 -7.774 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.534 -8.097 -8.836 1.00 0.00 C ATOM 1148 C GLY A 213 -5.453 -9.255 -8.500 1.00 0.00 C ATOM 1149 O GLY A 213 -5.713 -10.114 -9.342 1.00 0.00 O ATOM 0 H GLY A 213 -5.102 -6.315 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.878 -7.619 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.532 -8.478 -9.032 1.00 0.00 H new ATOM 1153 N SER A 214 -5.945 -9.278 -7.266 1.00 0.00 N ATOM 1154 CA SER A 214 -6.836 -10.342 -6.819 1.00 0.00 C ATOM 1155 C SER A 214 -8.291 -9.995 -7.119 1.00 0.00 C ATOM 1156 O SER A 214 -8.897 -10.555 -8.032 1.00 0.00 O ATOM 1157 CB SER A 214 -6.658 -10.589 -5.319 1.00 0.00 C ATOM 1158 OG SER A 214 -7.455 -11.677 -4.883 1.00 0.00 O ATOM 0 H SER A 214 -5.742 -8.572 -6.558 1.00 0.00 H new ATOM 0 HA SER A 214 -6.578 -11.250 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.609 -10.793 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 214 -6.929 -9.690 -4.765 1.00 0.00 H new ATOM 0 HG SER A 214 -7.322 -11.815 -3.922 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.844 -9.067 -6.344 1.00 0.00 N ATOM 1165 CA GLN A 215 -10.228 -8.645 -6.527 1.00 0.00 C ATOM 1166 C GLN A 215 -10.299 -7.336 -7.306 1.00 0.00 C ATOM 1167 O GLN A 215 -9.276 -6.791 -7.721 1.00 0.00 O ATOM 1168 CB GLN A 215 -10.917 -8.484 -5.171 1.00 0.00 C ATOM 1169 CG GLN A 215 -10.279 -7.424 -4.287 1.00 0.00 C ATOM 1170 CD GLN A 215 -11.050 -7.197 -3.001 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -10.579 -6.259 -2.187 1.00 0.00 O flip ATOM 1172 NE2 GLN A 215 -12.057 -7.856 -2.742 1.00 0.00 N flip ATOM 0 H GLN A 215 -8.355 -8.594 -5.584 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.744 -9.415 -7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -11.964 -8.228 -5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -10.900 -9.440 -4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -9.259 -7.722 -4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -10.215 -6.486 -4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -12.384 -8.567 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -12.565 -7.691 -1.873 1.00 0.00 H new ATOM 1181 N THR A 216 -11.515 -6.836 -7.503 1.00 0.00 N ATOM 1182 CA THR A 216 -11.721 -5.592 -8.233 1.00 0.00 C ATOM 1183 C THR A 216 -12.705 -4.683 -7.506 1.00 0.00 C ATOM 1184 O THR A 216 -13.916 -4.899 -7.554 1.00 0.00 O ATOM 1185 CB THR A 216 -12.242 -5.857 -9.659 1.00 0.00 C ATOM 1186 OG1 THR A 216 -11.403 -6.813 -10.317 1.00 0.00 O ATOM 1187 CG2 THR A 216 -12.283 -4.569 -10.468 1.00 0.00 C ATOM 0 H THR A 216 -12.372 -7.274 -7.167 1.00 0.00 H new ATOM 0 HA THR A 216 -10.751 -5.098 -8.294 1.00 0.00 H new ATOM 0 HB THR A 216 -13.255 -6.253 -9.585 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.741 -6.977 -11.222 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.654 -4.781 -11.471 1.00 0.00 H new ATOM 0 HG22 THR A 216 -12.945 -3.854 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 216 -11.280 -4.148 -10.534 1.00 0.00 H new ATOM 1195 N MET A 217 -12.178 -3.666 -6.833 1.00 0.00 N ATOM 1196 CA MET A 217 -13.012 -2.723 -6.096 1.00 0.00 C ATOM 1197 C MET A 217 -14.279 -2.392 -6.878 1.00 0.00 C ATOM 1198 O MET A 217 -14.253 -2.187 -8.092 1.00 0.00 O ATOM 1199 CB MET A 217 -12.231 -1.441 -5.802 1.00 0.00 C ATOM 1200 CG MET A 217 -11.074 -1.641 -4.837 1.00 0.00 C ATOM 1201 SD MET A 217 -11.609 -1.716 -3.117 1.00 0.00 S ATOM 1202 CE MET A 217 -11.481 -3.474 -2.798 1.00 0.00 C ATOM 0 H MET A 217 -11.178 -3.473 -6.782 1.00 0.00 H new ATOM 0 HA MET A 217 -13.299 -3.189 -5.154 1.00 0.00 H new ATOM 0 HB2 MET A 217 -11.846 -1.037 -6.738 1.00 0.00 H new ATOM 0 HB3 MET A 217 -12.912 -0.697 -5.390 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.549 -2.562 -5.091 1.00 0.00 H new ATOM 0 HG3 MET A 217 -10.361 -0.825 -4.956 1.00 0.00 H new ATOM 0 HE1 MET A 217 -12.222 -3.764 -2.053 1.00 0.00 H new ATOM 0 HE2 MET A 217 -11.660 -4.025 -3.721 1.00 0.00 H new ATOM 0 HE3 MET A 217 -10.483 -3.704 -2.425 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.416 -2.340 -6.169 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.715 -2.034 -6.777 1.00 0.00 C ATOM 1214 C PRO A 218 -16.661 -0.799 -7.669 1.00 0.00 C ATOM 1215 O PRO A 218 -16.252 0.276 -7.233 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.621 -1.783 -5.569 1.00 0.00 C ATOM 1217 CG PRO A 218 -17.011 -2.577 -4.466 1.00 0.00 C ATOM 1218 CD PRO A 218 -15.522 -2.574 -4.719 1.00 0.00 C ATOM 0 HA PRO A 218 -17.061 -2.838 -7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -17.662 -0.723 -5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -18.644 -2.103 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -17.242 -2.137 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.402 -3.594 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -15.020 -1.792 -4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -15.065 -3.521 -4.431 1.00 0.00 H new ATOM 1226 N GLY A 219 -17.078 -0.959 -8.921 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.070 0.152 -9.854 1.00 0.00 C ATOM 1228 C GLY A 219 -15.923 0.071 -10.842 1.00 0.00 C ATOM 1229 O GLY A 219 -16.119 0.239 -12.045 1.00 0.00 O ATOM 0 H GLY A 219 -17.421 -1.839 -9.306 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -18.014 0.172 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.002 1.088 -9.299 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.723 -0.187 -10.333 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.540 -0.290 -11.179 1.00 0.00 C ATOM 1235 C ALA A 220 -13.519 -1.615 -11.934 1.00 0.00 C ATOM 1236 O ALA A 220 -13.970 -2.640 -11.421 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.278 -0.137 -10.343 1.00 0.00 C ATOM 0 H ALA A 220 -14.544 -0.329 -9.339 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.577 0.516 -11.912 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.403 -0.216 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.282 0.837 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.244 -0.922 -9.588 1.00 0.00 H new ATOM 1243 N SER A 221 -12.994 -1.588 -13.154 1.00 0.00 N ATOM 1244 CA SER A 221 -12.919 -2.786 -13.981 1.00 0.00 C ATOM 1245 C SER A 221 -11.574 -3.486 -13.803 1.00 0.00 C ATOM 1246 O SER A 221 -11.416 -4.651 -14.167 1.00 0.00 O ATOM 1247 CB SER A 221 -13.129 -2.429 -15.454 1.00 0.00 C ATOM 1248 OG SER A 221 -13.527 -3.565 -16.202 1.00 0.00 O ATOM 0 H SER A 221 -12.614 -0.749 -13.592 1.00 0.00 H new ATOM 0 HA SER A 221 -13.709 -3.467 -13.663 1.00 0.00 H new ATOM 0 HB2 SER A 221 -13.887 -1.650 -15.538 1.00 0.00 H new ATOM 0 HB3 SER A 221 -12.206 -2.022 -15.868 1.00 0.00 H new ATOM 0 HG SER A 221 -13.053 -4.357 -15.872 1.00 0.00 H new ATOM 1254 N SER A 222 -10.609 -2.765 -13.240 1.00 0.00 N ATOM 1255 CA SER A 222 -9.277 -3.314 -13.017 1.00 0.00 C ATOM 1256 C SER A 222 -9.109 -3.757 -11.566 1.00 0.00 C ATOM 1257 O SER A 222 -9.586 -3.096 -10.644 1.00 0.00 O ATOM 1258 CB SER A 222 -8.209 -2.279 -13.373 1.00 0.00 C ATOM 1259 OG SER A 222 -7.992 -2.231 -14.772 1.00 0.00 O ATOM 0 H SER A 222 -10.725 -1.800 -12.930 1.00 0.00 H new ATOM 0 HA SER A 222 -9.157 -4.185 -13.662 1.00 0.00 H new ATOM 0 HB2 SER A 222 -8.517 -1.296 -13.016 1.00 0.00 H new ATOM 0 HB3 SER A 222 -7.276 -2.525 -12.865 1.00 0.00 H new ATOM 0 HG SER A 222 -7.306 -1.561 -14.974 1.00 0.00 H new ATOM 1265 N SER A 223 -8.426 -4.881 -11.373 1.00 0.00 N ATOM 1266 CA SER A 223 -8.197 -5.416 -10.035 1.00 0.00 C ATOM 1267 C SER A 223 -7.537 -4.372 -9.139 1.00 0.00 C ATOM 1268 O SER A 223 -6.867 -3.457 -9.620 1.00 0.00 O ATOM 1269 CB SER A 223 -7.323 -6.669 -10.107 1.00 0.00 C ATOM 1270 OG SER A 223 -7.999 -7.726 -10.766 1.00 0.00 O ATOM 0 H SER A 223 -8.022 -5.439 -12.125 1.00 0.00 H new ATOM 0 HA SER A 223 -9.163 -5.680 -9.605 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.397 -6.440 -10.635 1.00 0.00 H new ATOM 0 HB3 SER A 223 -7.047 -6.982 -9.100 1.00 0.00 H new ATOM 0 HG SER A 223 -7.418 -8.515 -10.800 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.732 -4.516 -7.833 1.00 0.00 N ATOM 1277 CA LEU A 224 -7.156 -3.586 -6.867 1.00 0.00 C ATOM 1278 C LEU A 224 -5.710 -3.256 -7.224 1.00 0.00 C ATOM 1279 O LEU A 224 -4.993 -4.085 -7.784 1.00 0.00 O ATOM 1280 CB LEU A 224 -7.223 -4.178 -5.458 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.534 -3.370 -4.357 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.234 -2.036 -4.157 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.504 -4.159 -3.056 1.00 0.00 C ATOM 0 H LEU A 224 -8.284 -5.267 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.737 -2.664 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.271 -4.303 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.779 -5.173 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.507 -3.175 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.730 -1.475 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.203 -1.466 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.272 -2.209 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -6.010 -3.569 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.524 -4.385 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.957 -5.089 -3.207 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.288 -2.039 -6.894 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.927 -1.600 -7.177 1.00 0.00 C ATOM 1297 C VAL A 225 -3.183 -1.254 -5.891 1.00 0.00 C ATOM 1298 O VAL A 225 -3.521 -0.289 -5.206 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.915 -0.374 -8.109 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.490 0.102 -8.348 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.604 -0.700 -9.425 1.00 0.00 C ATOM 0 H VAL A 225 -5.869 -1.340 -6.431 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.423 -2.430 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.466 0.433 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.502 0.969 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -2.034 0.377 -7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.912 -0.698 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.587 0.177 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -4.083 -1.522 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.637 -0.989 -9.233 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.167 -2.049 -5.570 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.373 -1.827 -4.368 1.00 0.00 C ATOM 1313 C VAL A 226 0.116 -1.985 -4.655 1.00 0.00 C ATOM 1314 O VAL A 226 0.597 -3.090 -4.907 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.774 -2.799 -3.243 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.070 -2.433 -1.945 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.283 -2.806 -3.058 1.00 0.00 C ATOM 0 H VAL A 226 -1.875 -2.853 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.570 -0.806 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.462 -3.804 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.366 -3.131 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 226 0.009 -2.485 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.348 -1.420 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.548 -3.498 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.622 -1.804 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.762 -3.121 -3.985 1.00 0.00 H new ATOM 1327 N LYS A 227 0.842 -0.873 -4.616 1.00 0.00 N ATOM 1328 CA LYS A 227 2.278 -0.886 -4.871 1.00 0.00 C ATOM 1329 C LYS A 227 3.031 -0.139 -3.775 1.00 0.00 C ATOM 1330 O LYS A 227 2.444 0.639 -3.024 1.00 0.00 O ATOM 1331 CB LYS A 227 2.581 -0.258 -6.233 1.00 0.00 C ATOM 1332 CG LYS A 227 2.265 1.226 -6.302 1.00 0.00 C ATOM 1333 CD LYS A 227 2.174 1.710 -7.739 1.00 0.00 C ATOM 1334 CE LYS A 227 1.703 3.154 -7.812 1.00 0.00 C ATOM 1335 NZ LYS A 227 2.766 4.106 -7.385 1.00 0.00 N ATOM 0 H LYS A 227 0.459 0.050 -4.410 1.00 0.00 H new ATOM 0 HA LYS A 227 2.612 -1.924 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.635 -0.408 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 227 2.008 -0.779 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.323 1.422 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 227 3.037 1.788 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 227 3.150 1.620 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 227 1.486 1.073 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 227 1.397 3.385 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 227 0.825 3.282 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 2.406 5.080 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 3.041 3.902 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 3.595 4.002 -8.005 1.00 0.00 H new ATOM 1349 N PHE A 228 4.335 -0.380 -3.690 1.00 0.00 N ATOM 1350 CA PHE A 228 5.170 0.271 -2.687 1.00 0.00 C ATOM 1351 C PHE A 228 5.183 1.783 -2.888 1.00 0.00 C ATOM 1352 O PHE A 228 5.656 2.280 -3.910 1.00 0.00 O ATOM 1353 CB PHE A 228 6.597 -0.276 -2.747 1.00 0.00 C ATOM 1354 CG PHE A 228 6.722 -1.684 -2.240 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.412 -1.991 -0.925 1.00 0.00 C ATOM 1356 CD2 PHE A 228 7.150 -2.701 -3.079 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.526 -3.286 -0.456 1.00 0.00 C ATOM 1358 CE2 PHE A 228 7.265 -3.998 -2.615 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.953 -4.291 -1.302 1.00 0.00 C ATOM 0 H PHE A 228 4.837 -1.022 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 228 4.748 0.057 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 228 6.949 -0.237 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 228 7.250 0.371 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 228 6.077 -1.209 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 228 7.396 -2.478 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 228 6.281 -3.512 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 228 7.599 -4.782 -3.279 1.00 0.00 H new ATOM 0 HZ PHE A 228 7.043 -5.304 -0.937 1.00 0.00 H new