USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.087) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 180:sc= -0.0906 USER MOD Single : A 393 HIS : no HD1:sc= -2.25 X(o=-2.3,f=-2.6!) USER MOD Single : A 396 GLN : amide:sc= -1.49! C(o=-1.5!,f=-3.1!) USER MOD Single : A 399 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.07) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0.00199 USER MOD Single : A 403 THR OG1 : rot -170:sc= -2.38! USER MOD Single : A 405 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.25) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc= -0.551 K(o=-0.55,f=-1.4) USER MOD Single : A 416 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 420 ASN : amide:sc= 0.306 K(o=0.31,f=-4.1!) USER MOD Single : A 430 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-3.9!) USER MOD Single : A 433 SER OG : rot -8:sc= 0.928 USER MOD Single : A 435 ASN : amide:sc= -4.36! C(o=-4.4!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -5.426 -7.390 5.610 1.00 1.42 N ATOM 158 CA ILE A 373 -6.141 -6.120 5.579 1.00 1.22 C ATOM 159 C ILE A 373 -7.628 -6.304 5.871 1.00 1.13 C ATOM 160 O ILE A 373 -8.271 -7.220 5.357 1.00 1.20 O ATOM 161 CB ILE A 373 -5.963 -5.400 4.230 1.00 1.16 C ATOM 162 CG1 ILE A 373 -4.519 -4.912 4.079 1.00 1.40 C ATOM 163 CG2 ILE A 373 -6.943 -4.240 4.101 1.00 1.26 C ATOM 164 CD1 ILE A 373 -4.266 -4.132 2.805 1.00 1.48 C ATOM 0 HA ILE A 373 -5.706 -5.501 6.363 1.00 1.22 H new ATOM 0 HB ILE A 373 -6.176 -6.108 3.429 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -4.266 -4.285 4.934 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.850 -5.772 4.106 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -6.798 -3.747 3.140 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -7.964 -4.617 4.165 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -6.769 -3.525 4.906 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -3.222 -3.821 2.770 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -4.486 -4.762 1.943 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -4.908 -3.251 2.784 1.00 1.48 H new ATOM 176 N ASP A 374 -8.160 -5.414 6.703 1.00 1.16 N ATOM 177 CA ASP A 374 -9.567 -5.443 7.082 1.00 1.17 C ATOM 178 C ASP A 374 -10.054 -4.029 7.379 1.00 1.03 C ATOM 179 O ASP A 374 -10.330 -3.682 8.524 1.00 1.25 O ATOM 180 CB ASP A 374 -9.776 -6.340 8.306 1.00 1.40 C ATOM 181 CG ASP A 374 -9.376 -7.778 8.048 1.00 1.77 C ATOM 182 OD1 ASP A 374 -9.966 -8.407 7.145 1.00 2.04 O ATOM 183 OD2 ASP A 374 -8.471 -8.276 8.750 1.00 2.17 O ATOM 0 H ASP A 374 -7.630 -4.655 7.132 1.00 1.16 H new ATOM 0 HA ASP A 374 -10.143 -5.852 6.252 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.195 -5.949 9.142 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -10.824 -6.306 8.602 1.00 1.40 H new ATOM 188 N ILE A 375 -10.137 -3.221 6.331 1.00 0.84 N ATOM 189 CA ILE A 375 -10.570 -1.829 6.440 1.00 0.76 C ATOM 190 C ILE A 375 -11.809 -1.672 7.314 1.00 0.76 C ATOM 191 O ILE A 375 -11.960 -0.672 8.017 1.00 0.79 O ATOM 192 CB ILE A 375 -10.887 -1.255 5.052 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.678 -1.388 4.132 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.319 0.199 5.171 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.009 -1.169 2.674 1.00 0.92 C ATOM 0 H ILE A 375 -9.907 -3.509 5.380 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.745 -1.287 6.902 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.709 -1.823 4.616 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.918 -0.669 4.437 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.245 -2.381 4.254 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.541 0.595 4.180 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.210 0.264 5.796 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.516 0.781 5.623 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.105 -1.278 2.075 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.747 -1.905 2.354 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.414 -0.166 2.540 1.00 0.92 H new ATOM 207 N SER A 376 -12.704 -2.647 7.239 1.00 0.79 N ATOM 208 CA SER A 376 -13.950 -2.611 7.996 1.00 0.87 C ATOM 209 C SER A 376 -13.736 -2.206 9.449 1.00 0.96 C ATOM 210 O SER A 376 -14.573 -1.525 10.043 1.00 1.54 O ATOM 211 CB SER A 376 -14.649 -3.970 7.933 1.00 0.95 C ATOM 212 OG SER A 376 -15.877 -3.947 8.641 1.00 1.71 O ATOM 0 H SER A 376 -12.590 -3.478 6.658 1.00 0.79 H new ATOM 0 HA SER A 376 -14.581 -1.852 7.534 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.831 -4.241 6.893 1.00 0.95 H new ATOM 0 HB3 SER A 376 -13.998 -4.737 8.353 1.00 0.95 H new ATOM 0 HG SER A 376 -16.304 -4.827 8.584 1.00 1.71 H new ATOM 218 N GLU A 377 -12.625 -2.637 10.020 1.00 0.93 N ATOM 219 CA GLU A 377 -12.320 -2.330 11.415 1.00 1.03 C ATOM 220 C GLU A 377 -11.774 -0.913 11.586 1.00 0.87 C ATOM 221 O GLU A 377 -12.069 -0.250 12.580 1.00 0.93 O ATOM 222 CB GLU A 377 -11.331 -3.346 11.997 1.00 1.18 C ATOM 223 CG GLU A 377 -9.934 -3.261 11.406 1.00 1.28 C ATOM 224 CD GLU A 377 -8.987 -4.283 12.002 1.00 1.54 C ATOM 225 OE1 GLU A 377 -8.770 -4.245 13.231 1.00 1.90 O ATOM 226 OE2 GLU A 377 -8.460 -5.121 11.240 1.00 1.92 O ATOM 0 H GLU A 377 -11.918 -3.199 9.545 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.260 -2.394 11.964 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.267 -3.198 13.075 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -11.722 -4.351 11.835 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -9.990 -3.408 10.327 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.534 -2.261 11.571 1.00 1.28 H new ATOM 233 N ASN A 378 -10.970 -0.454 10.630 1.00 0.71 N ATOM 234 CA ASN A 378 -10.388 0.884 10.718 1.00 0.61 C ATOM 235 C ASN A 378 -10.245 1.546 9.350 1.00 0.58 C ATOM 236 O ASN A 378 -9.176 1.516 8.740 1.00 0.59 O ATOM 237 CB ASN A 378 -9.029 0.826 11.414 1.00 0.62 C ATOM 238 CG ASN A 378 -9.142 0.752 12.924 1.00 1.15 C ATOM 239 OD1 ASN A 378 -8.382 0.038 13.578 1.00 1.16 O ATOM 240 ND2 ASN A 378 -10.062 1.525 13.493 1.00 2.14 N ATOM 0 H ASN A 378 -10.709 -0.980 9.796 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.074 1.494 11.306 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.478 -0.043 11.053 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -8.449 1.707 11.141 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -10.158 1.541 14.508 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -10.672 2.102 12.914 1.00 2.14 H new ATOM 247 N PRO A 379 -11.331 2.165 8.860 1.00 0.62 N ATOM 248 CA PRO A 379 -11.343 2.853 7.562 1.00 0.65 C ATOM 249 C PRO A 379 -10.398 4.053 7.517 1.00 0.61 C ATOM 250 O PRO A 379 -9.722 4.285 6.515 1.00 0.62 O ATOM 251 CB PRO A 379 -12.794 3.335 7.433 1.00 0.77 C ATOM 252 CG PRO A 379 -13.569 2.490 8.380 1.00 0.85 C ATOM 253 CD PRO A 379 -12.641 2.242 9.528 1.00 0.75 C ATOM 0 HA PRO A 379 -11.010 2.195 6.759 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.882 4.392 7.685 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -13.159 3.219 6.412 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.477 2.996 8.709 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.877 1.555 7.913 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.677 3.047 10.262 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.884 1.319 10.055 1.00 0.75 H new ATOM 261 N ASP A 380 -10.372 4.823 8.602 1.00 0.62 N ATOM 262 CA ASP A 380 -9.527 6.014 8.684 1.00 0.64 C ATOM 263 C ASP A 380 -8.055 5.663 8.884 1.00 0.55 C ATOM 264 O ASP A 380 -7.175 6.394 8.429 1.00 0.55 O ATOM 265 CB ASP A 380 -9.996 6.924 9.820 1.00 0.75 C ATOM 266 CG ASP A 380 -11.427 7.391 9.636 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.330 6.531 9.583 1.00 1.20 O ATOM 268 OD2 ASP A 380 -11.644 8.619 9.545 1.00 1.21 O ATOM 0 H ASP A 380 -10.927 4.644 9.439 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.620 6.537 7.732 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.910 6.391 10.767 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.339 7.792 9.881 1.00 0.75 H new ATOM 273 N LYS A 381 -7.795 4.556 9.581 1.00 0.51 N ATOM 274 CA LYS A 381 -6.423 4.125 9.854 1.00 0.47 C ATOM 275 C LYS A 381 -5.531 4.315 8.631 1.00 0.39 C ATOM 276 O LYS A 381 -5.879 3.908 7.523 1.00 0.37 O ATOM 277 CB LYS A 381 -6.404 2.662 10.298 1.00 0.50 C ATOM 278 CG LYS A 381 -5.016 2.133 10.613 1.00 0.52 C ATOM 279 CD LYS A 381 -5.074 0.705 11.131 1.00 0.59 C ATOM 280 CE LYS A 381 -3.686 0.171 11.449 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.734 -1.223 11.968 1.00 1.66 N ATOM 0 H LYS A 381 -8.514 3.943 9.966 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.030 4.746 10.659 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -7.033 2.552 11.181 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.847 2.048 9.513 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.397 2.172 9.716 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.541 2.773 11.356 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.694 0.667 12.027 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.549 0.066 10.387 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.070 0.203 10.550 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -3.208 0.817 12.186 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.768 -1.551 12.173 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -4.301 -1.250 12.840 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -4.166 -1.844 11.255 1.00 1.66 H new ATOM 295 N ILE A 382 -4.388 4.958 8.846 1.00 0.40 N ATOM 296 CA ILE A 382 -3.443 5.233 7.771 1.00 0.35 C ATOM 297 C ILE A 382 -2.535 4.039 7.490 1.00 0.34 C ATOM 298 O ILE A 382 -1.956 3.456 8.407 1.00 0.41 O ATOM 299 CB ILE A 382 -2.562 6.454 8.110 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.431 7.684 8.398 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.587 6.739 6.977 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.289 8.119 7.228 1.00 0.37 C ATOM 0 H ILE A 382 -4.093 5.300 9.761 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.038 5.440 6.882 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.988 6.225 9.008 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.077 7.469 9.249 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.785 8.512 8.690 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -0.974 7.603 7.233 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -0.945 5.872 6.823 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.143 6.947 6.062 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -4.874 8.994 7.511 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -3.650 8.368 6.381 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -4.962 7.308 6.949 1.00 0.37 H new ATOM 314 N TYR A 383 -2.395 3.700 6.211 1.00 0.30 N ATOM 315 CA TYR A 383 -1.534 2.598 5.795 1.00 0.30 C ATOM 316 C TYR A 383 -0.354 3.140 4.999 1.00 0.28 C ATOM 317 O TYR A 383 -0.499 4.099 4.245 1.00 0.25 O ATOM 318 CB TYR A 383 -2.310 1.585 4.951 1.00 0.32 C ATOM 319 CG TYR A 383 -3.408 0.863 5.703 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.462 1.558 6.282 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.387 -0.521 5.834 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.463 0.898 6.969 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.384 -1.189 6.519 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.420 -0.475 7.085 1.00 0.52 C ATOM 325 OH TYR A 383 -6.414 -1.137 7.767 1.00 0.63 O ATOM 0 H TYR A 383 -2.869 4.175 5.443 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.169 2.090 6.688 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.748 2.101 4.097 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.611 0.848 4.554 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.500 2.634 6.194 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.578 -1.084 5.393 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.275 1.455 7.413 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.352 -2.265 6.611 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.234 -2.100 7.754 1.00 0.63 H new ATOM 335 N PHE A 384 0.814 2.536 5.171 1.00 0.31 N ATOM 336 CA PHE A 384 2.007 2.983 4.463 1.00 0.30 C ATOM 337 C PHE A 384 2.203 2.196 3.167 1.00 0.28 C ATOM 338 O PHE A 384 2.150 0.966 3.165 1.00 0.33 O ATOM 339 CB PHE A 384 3.236 2.856 5.368 1.00 0.40 C ATOM 340 CG PHE A 384 3.102 3.601 6.669 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.291 3.114 7.683 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.794 4.784 6.880 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.169 3.795 8.881 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.677 5.468 8.077 1.00 0.64 C ATOM 345 CZ PHE A 384 2.864 4.973 9.077 1.00 0.74 C ATOM 0 H PHE A 384 0.961 1.740 5.791 1.00 0.31 H new ATOM 0 HA PHE A 384 1.877 4.032 4.197 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.415 1.802 5.579 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.111 3.227 4.834 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.748 2.192 7.536 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.431 5.176 6.101 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.532 3.407 9.662 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.221 6.388 8.229 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.771 5.506 10.012 1.00 0.74 H new ATOM 355 N ILE A 385 2.425 2.915 2.065 1.00 0.26 N ATOM 356 CA ILE A 385 2.620 2.281 0.761 1.00 0.27 C ATOM 357 C ILE A 385 4.011 2.580 0.212 1.00 0.24 C ATOM 358 O ILE A 385 4.440 3.730 0.186 1.00 0.30 O ATOM 359 CB ILE A 385 1.577 2.754 -0.278 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.156 2.701 0.295 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.670 1.904 -1.536 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.144 3.805 1.284 1.00 0.32 C ATOM 0 H ILE A 385 2.474 3.934 2.050 1.00 0.26 H new ATOM 0 HA ILE A 385 2.500 1.210 0.922 1.00 0.27 H new ATOM 0 HB ILE A 385 1.798 3.791 -0.530 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.559 2.757 -0.526 1.00 0.32 H new ATOM 0 HG13 ILE A 385 0.007 1.738 0.783 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.931 2.245 -2.261 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.668 1.996 -1.964 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.477 0.861 -1.285 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.167 3.701 1.646 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.547 3.738 2.125 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.028 4.772 0.796 1.00 0.32 H new ATOM 374 N ARG A 386 4.709 1.543 -0.234 1.00 0.29 N ATOM 375 CA ARG A 386 6.049 1.709 -0.786 1.00 0.30 C ATOM 376 C ARG A 386 5.989 2.083 -2.263 1.00 0.33 C ATOM 377 O ARG A 386 5.399 1.362 -3.068 1.00 0.42 O ATOM 378 CB ARG A 386 6.858 0.421 -0.609 1.00 0.38 C ATOM 379 CG ARG A 386 8.261 0.498 -1.191 1.00 0.50 C ATOM 380 CD ARG A 386 9.009 -0.814 -1.014 1.00 1.02 C ATOM 381 NE ARG A 386 8.328 -1.925 -1.678 1.00 1.40 N ATOM 382 CZ ARG A 386 8.780 -3.179 -1.685 1.00 1.86 C ATOM 383 NH1 ARG A 386 9.914 -3.489 -1.070 1.00 2.42 N ATOM 384 NH2 ARG A 386 8.093 -4.125 -2.310 1.00 2.39 N ATOM 0 H ARG A 386 4.371 0.581 -0.225 1.00 0.29 H new ATOM 0 HA ARG A 386 6.539 2.518 -0.245 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.927 0.188 0.454 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.322 -0.402 -1.082 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.204 0.745 -2.251 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.814 1.302 -0.706 1.00 0.50 H new ATOM 0 HD2 ARG A 386 10.017 -0.714 -1.416 1.00 1.02 H new ATOM 0 HD3 ARG A 386 9.110 -1.034 0.049 1.00 1.02 H new ATOM 0 HE ARG A 386 7.454 -1.728 -2.165 1.00 1.40 H new ATOM 0 HH11 ARG A 386 10.447 -2.765 -0.587 1.00 2.42 H new ATOM 0 HH12 ARG A 386 10.253 -4.451 -1.080 1.00 2.42 H new ATOM 0 HH21 ARG A 386 7.220 -3.893 -2.784 1.00 2.39 H new ATOM 0 HH22 ARG A 386 8.437 -5.085 -2.317 1.00 2.39 H new ATOM 398 N ARG A 387 6.612 3.204 -2.623 1.00 0.41 N ATOM 399 CA ARG A 387 6.627 3.645 -4.013 1.00 0.51 C ATOM 400 C ARG A 387 7.559 2.770 -4.845 1.00 0.49 C ATOM 401 O ARG A 387 8.103 1.782 -4.352 1.00 0.47 O ATOM 402 CB ARG A 387 7.056 5.110 -4.114 1.00 0.63 C ATOM 403 CG ARG A 387 6.048 6.082 -3.524 1.00 0.84 C ATOM 404 CD ARG A 387 6.478 7.525 -3.735 1.00 0.94 C ATOM 405 NE ARG A 387 6.643 7.849 -5.151 1.00 1.32 N ATOM 406 CZ ARG A 387 5.635 7.922 -6.020 1.00 1.79 C ATOM 407 NH1 ARG A 387 4.384 7.764 -5.611 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.880 8.176 -7.297 1.00 2.25 N ATOM 0 H ARG A 387 7.108 3.817 -1.977 1.00 0.41 H new ATOM 0 HA ARG A 387 5.614 3.551 -4.406 1.00 0.51 H new ATOM 0 HB2 ARG A 387 8.011 5.236 -3.604 1.00 0.63 H new ATOM 0 HB3 ARG A 387 7.219 5.361 -5.162 1.00 0.63 H new ATOM 0 HG2 ARG A 387 5.073 5.921 -3.984 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.934 5.887 -2.458 1.00 0.84 H new ATOM 0 HD2 ARG A 387 5.736 8.192 -3.295 1.00 0.94 H new ATOM 0 HD3 ARG A 387 7.417 7.703 -3.211 1.00 0.94 H new ATOM 0 HE ARG A 387 7.586 8.030 -5.495 1.00 1.32 H new ATOM 0 HH11 ARG A 387 4.188 7.585 -4.626 1.00 2.30 H new ATOM 0 HH12 ARG A 387 3.617 7.821 -6.281 1.00 2.30 H new ATOM 0 HH21 ARG A 387 6.839 8.315 -7.614 1.00 2.25 H new ATOM 0 HH22 ARG A 387 5.109 8.232 -7.963 1.00 2.25 H new ATOM 422 N GLU A 388 7.737 3.138 -6.110 1.00 0.64 N ATOM 423 CA GLU A 388 8.603 2.385 -7.010 1.00 0.69 C ATOM 424 C GLU A 388 10.063 2.491 -6.586 1.00 0.61 C ATOM 425 O GLU A 388 10.787 1.496 -6.560 1.00 0.63 O ATOM 426 CB GLU A 388 8.446 2.885 -8.449 1.00 0.88 C ATOM 427 CG GLU A 388 7.069 2.630 -9.045 1.00 1.58 C ATOM 428 CD GLU A 388 5.962 3.359 -8.308 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.015 4.604 -8.239 1.00 2.82 O ATOM 430 OE2 GLU A 388 5.043 2.682 -7.798 1.00 2.65 O ATOM 0 H GLU A 388 7.293 3.952 -6.535 1.00 0.64 H new ATOM 0 HA GLU A 388 8.303 1.338 -6.959 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.650 3.955 -8.475 1.00 0.88 H new ATOM 0 HB3 GLU A 388 9.197 2.402 -9.075 1.00 0.88 H new ATOM 0 HG2 GLU A 388 7.068 2.940 -10.090 1.00 1.58 H new ATOM 0 HG3 GLU A 388 6.865 1.559 -9.030 1.00 1.58 H new ATOM 437 N ASP A 389 10.494 3.708 -6.264 1.00 0.65 N ATOM 438 CA ASP A 389 11.874 3.944 -5.852 1.00 0.69 C ATOM 439 C ASP A 389 12.160 3.364 -4.467 1.00 0.64 C ATOM 440 O ASP A 389 13.256 2.867 -4.212 1.00 0.91 O ATOM 441 CB ASP A 389 12.191 5.443 -5.874 1.00 0.81 C ATOM 442 CG ASP A 389 11.225 6.269 -5.044 1.00 0.80 C ATOM 443 OD1 ASP A 389 10.267 5.684 -4.496 1.00 1.06 O ATOM 444 OD2 ASP A 389 11.426 7.496 -4.934 1.00 1.23 O ATOM 0 H ASP A 389 9.909 4.543 -6.280 1.00 0.65 H new ATOM 0 HA ASP A 389 12.520 3.432 -6.566 1.00 0.69 H new ATOM 0 HB2 ASP A 389 13.204 5.599 -5.504 1.00 0.81 H new ATOM 0 HB3 ASP A 389 12.170 5.797 -6.905 1.00 0.81 H new ATOM 449 N GLY A 390 11.174 3.430 -3.574 1.00 0.55 N ATOM 450 CA GLY A 390 11.360 2.905 -2.232 1.00 0.53 C ATOM 451 C GLY A 390 10.707 3.767 -1.169 1.00 0.55 C ATOM 452 O GLY A 390 10.241 3.260 -0.149 1.00 1.03 O ATOM 0 H GLY A 390 10.256 3.835 -3.755 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.947 1.897 -2.180 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.427 2.824 -2.023 1.00 0.53 H new ATOM 456 N THR A 391 10.684 5.076 -1.405 1.00 0.57 N ATOM 457 CA THR A 391 10.098 6.017 -0.457 1.00 0.54 C ATOM 458 C THR A 391 8.629 5.709 -0.196 1.00 0.41 C ATOM 459 O THR A 391 7.782 5.830 -1.083 1.00 0.44 O ATOM 460 CB THR A 391 10.239 7.469 -0.944 1.00 0.71 C ATOM 461 OG1 THR A 391 9.693 7.606 -2.260 1.00 0.98 O ATOM 462 CG2 THR A 391 11.700 7.889 -0.942 1.00 0.88 C ATOM 0 H THR A 391 11.065 5.509 -2.246 1.00 0.57 H new ATOM 0 HA THR A 391 10.650 5.903 0.476 1.00 0.54 H new ATOM 0 HB THR A 391 9.687 8.117 -0.263 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.787 8.535 -2.558 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.783 8.919 -1.289 1.00 0.88 H new ATOM 0 HG22 THR A 391 12.099 7.814 0.070 1.00 0.88 H new ATOM 0 HG23 THR A 391 12.267 7.236 -1.605 1.00 0.88 H new ATOM 470 N VAL A 392 8.346 5.291 1.031 1.00 0.37 N ATOM 471 CA VAL A 392 6.992 4.943 1.439 1.00 0.33 C ATOM 472 C VAL A 392 6.154 6.184 1.748 1.00 0.32 C ATOM 473 O VAL A 392 6.579 7.063 2.499 1.00 0.41 O ATOM 474 CB VAL A 392 7.019 4.035 2.680 1.00 0.45 C ATOM 475 CG1 VAL A 392 5.616 3.601 3.063 1.00 0.55 C ATOM 476 CG2 VAL A 392 7.913 2.828 2.437 1.00 0.52 C ATOM 0 H VAL A 392 9.044 5.184 1.767 1.00 0.37 H new ATOM 0 HA VAL A 392 6.534 4.415 0.603 1.00 0.33 H new ATOM 0 HB VAL A 392 7.432 4.605 3.512 1.00 0.45 H new ATOM 0 HG11 VAL A 392 5.661 2.960 3.943 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.011 4.480 3.285 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.167 3.051 2.236 1.00 0.55 H new ATOM 0 HG21 VAL A 392 7.921 2.196 3.325 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.532 2.258 1.589 1.00 0.52 H new ATOM 0 HG23 VAL A 392 8.927 3.164 2.222 1.00 0.52 H new ATOM 486 N HIS A 393 4.952 6.233 1.178 1.00 0.29 N ATOM 487 CA HIS A 393 4.033 7.346 1.398 1.00 0.31 C ATOM 488 C HIS A 393 2.706 6.838 1.958 1.00 0.27 C ATOM 489 O HIS A 393 2.193 5.808 1.524 1.00 0.26 O ATOM 490 CB HIS A 393 3.786 8.114 0.095 1.00 0.37 C ATOM 491 CG HIS A 393 4.971 8.897 -0.385 1.00 0.92 C ATOM 492 ND1 HIS A 393 4.944 9.674 -1.524 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.220 9.028 0.126 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.122 10.247 -1.693 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.913 9.873 -0.705 1.00 1.82 N ATOM 0 H HIS A 393 4.591 5.509 0.556 1.00 0.29 H new ATOM 0 HA HIS A 393 4.489 8.023 2.121 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.492 7.407 -0.681 1.00 0.37 H new ATOM 0 HB3 HIS A 393 2.948 8.795 0.240 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.599 8.556 1.020 1.00 0.94 H new ATOM 0 HE1 HIS A 393 6.392 10.909 -2.502 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.882 10.165 -0.579 1.00 1.82 H new ATOM 504 N ARG A 394 2.165 7.562 2.932 1.00 0.29 N ATOM 505 CA ARG A 394 0.905 7.184 3.565 1.00 0.28 C ATOM 506 C ARG A 394 -0.238 7.096 2.556 1.00 0.26 C ATOM 507 O ARG A 394 -0.218 7.749 1.513 1.00 0.32 O ATOM 508 CB ARG A 394 0.557 8.170 4.678 1.00 0.35 C ATOM 509 CG ARG A 394 1.530 8.124 5.846 1.00 0.42 C ATOM 510 CD ARG A 394 1.155 9.128 6.921 1.00 0.52 C ATOM 511 NE ARG A 394 2.034 9.042 8.087 1.00 1.34 N ATOM 512 CZ ARG A 394 3.338 9.307 8.055 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.918 9.684 6.923 1.00 2.41 N ATOM 514 NH2 ARG A 394 4.063 9.202 9.160 1.00 2.96 N ATOM 0 H ARG A 394 2.581 8.417 3.302 1.00 0.29 H new ATOM 0 HA ARG A 394 1.038 6.191 3.994 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.540 9.180 4.268 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.448 7.957 5.042 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.542 7.121 6.272 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.539 8.331 5.489 1.00 0.42 H new ATOM 0 HD2 ARG A 394 1.201 10.135 6.507 1.00 0.52 H new ATOM 0 HD3 ARG A 394 0.124 8.957 7.232 1.00 0.52 H new ATOM 0 HE ARG A 394 1.623 8.762 8.978 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.364 9.772 6.071 1.00 2.41 H new ATOM 0 HH12 ARG A 394 4.918 9.886 6.905 1.00 2.41 H new ATOM 0 HH21 ARG A 394 3.621 8.918 10.035 1.00 2.96 H new ATOM 0 HH22 ARG A 394 5.062 9.405 9.136 1.00 2.96 H new ATOM 528 N GLY A 395 -1.231 6.272 2.885 1.00 0.23 N ATOM 529 CA GLY A 395 -2.382 6.080 2.019 1.00 0.25 C ATOM 530 C GLY A 395 -3.439 5.203 2.670 1.00 0.23 C ATOM 531 O GLY A 395 -3.119 4.149 3.220 1.00 0.26 O ATOM 0 H GLY A 395 -1.257 5.728 3.747 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.816 7.049 1.771 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.060 5.626 1.082 1.00 0.25 H new ATOM 535 N GLN A 396 -4.696 5.638 2.622 1.00 0.29 N ATOM 536 CA GLN A 396 -5.789 4.876 3.224 1.00 0.34 C ATOM 537 C GLN A 396 -6.426 3.914 2.224 1.00 0.35 C ATOM 538 O GLN A 396 -6.802 4.310 1.121 1.00 0.46 O ATOM 539 CB GLN A 396 -6.863 5.818 3.775 1.00 0.43 C ATOM 540 CG GLN A 396 -6.359 6.767 4.847 1.00 0.50 C ATOM 541 CD GLN A 396 -7.482 7.535 5.514 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.469 6.951 5.962 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.330 8.849 5.601 1.00 0.61 N ATOM 0 H GLN A 396 -4.983 6.509 2.175 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.361 4.292 4.039 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.277 6.402 2.953 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.679 5.223 4.185 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.812 6.201 5.601 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.655 7.471 4.403 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.496 9.293 5.216 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.047 9.417 6.053 1.00 0.61 H new ATOM 552 N VAL A 397 -6.570 2.653 2.628 1.00 0.33 N ATOM 553 CA VAL A 397 -7.189 1.644 1.775 1.00 0.33 C ATOM 554 C VAL A 397 -8.707 1.700 1.925 1.00 0.33 C ATOM 555 O VAL A 397 -9.217 1.824 3.039 1.00 0.37 O ATOM 556 CB VAL A 397 -6.693 0.222 2.117 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.152 -0.778 1.066 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.183 0.203 2.259 1.00 0.83 C ATOM 0 H VAL A 397 -6.267 2.308 3.539 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.905 1.863 0.746 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.128 -0.071 3.072 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.791 -1.773 1.328 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -8.241 -0.787 1.023 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.753 -0.492 0.093 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.853 -0.807 2.500 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.725 0.520 1.322 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.884 0.882 3.057 1.00 0.83 H new ATOM 568 N LEU A 398 -9.429 1.628 0.810 1.00 0.36 N ATOM 569 CA LEU A 398 -10.888 1.693 0.853 1.00 0.40 C ATOM 570 C LEU A 398 -11.537 0.438 0.272 1.00 0.41 C ATOM 571 O LEU A 398 -12.468 -0.112 0.859 1.00 0.47 O ATOM 572 CB LEU A 398 -11.386 2.927 0.099 1.00 0.46 C ATOM 573 CG LEU A 398 -10.864 4.268 0.624 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.384 5.412 -0.233 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.266 4.465 2.079 1.00 1.45 C ATOM 0 H LEU A 398 -9.034 1.526 -0.125 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.176 1.762 1.902 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.103 2.831 -0.949 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.475 2.940 0.136 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.776 4.261 0.567 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -11.004 6.358 0.153 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -11.048 5.278 -1.261 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.474 5.421 -0.206 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.886 5.423 2.435 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.353 4.452 2.161 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.847 3.661 2.684 1.00 1.45 H new ATOM 587 N GLN A 399 -11.059 0.000 -0.889 1.00 0.39 N ATOM 588 CA GLN A 399 -11.621 -1.179 -1.543 1.00 0.43 C ATOM 589 C GLN A 399 -10.550 -2.220 -1.853 1.00 0.38 C ATOM 590 O GLN A 399 -9.361 -1.997 -1.630 1.00 0.35 O ATOM 591 CB GLN A 399 -12.337 -0.777 -2.831 1.00 0.49 C ATOM 592 CG GLN A 399 -13.441 0.248 -2.621 1.00 0.60 C ATOM 593 CD GLN A 399 -14.522 -0.240 -1.675 1.00 1.36 C ATOM 594 OE1 GLN A 399 -15.159 -1.265 -1.917 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.734 0.497 -0.590 1.00 2.04 N ATOM 0 H GLN A 399 -10.289 0.439 -1.394 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.335 -1.627 -0.852 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.606 -0.373 -3.532 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.763 -1.668 -3.293 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.007 1.167 -2.227 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.890 0.494 -3.583 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -14.182 1.340 -0.430 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -15.449 0.220 0.083 1.00 2.04 H new ATOM 604 N SER A 400 -10.996 -3.364 -2.370 1.00 0.42 N ATOM 605 CA SER A 400 -10.100 -4.461 -2.720 1.00 0.41 C ATOM 606 C SER A 400 -10.823 -5.474 -3.604 1.00 0.47 C ATOM 607 O SER A 400 -12.022 -5.701 -3.442 1.00 0.54 O ATOM 608 CB SER A 400 -9.581 -5.147 -1.456 1.00 0.47 C ATOM 609 OG SER A 400 -10.646 -5.683 -0.693 1.00 0.56 O ATOM 0 H SER A 400 -11.981 -3.554 -2.556 1.00 0.42 H new ATOM 0 HA SER A 400 -9.253 -4.053 -3.272 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.888 -5.943 -1.729 1.00 0.47 H new ATOM 0 HB3 SER A 400 -9.022 -4.431 -0.853 1.00 0.47 H new ATOM 0 HG SER A 400 -10.288 -6.118 0.109 1.00 0.56 H new ATOM 615 N ARG A 401 -10.097 -6.078 -4.543 1.00 0.51 N ATOM 616 CA ARG A 401 -10.695 -7.057 -5.445 1.00 0.60 C ATOM 617 C ARG A 401 -9.708 -8.165 -5.803 1.00 0.73 C ATOM 618 O ARG A 401 -8.541 -7.906 -6.092 1.00 0.86 O ATOM 619 CB ARG A 401 -11.181 -6.378 -6.727 1.00 0.65 C ATOM 620 CG ARG A 401 -10.055 -5.826 -7.588 1.00 0.72 C ATOM 621 CD ARG A 401 -10.561 -5.388 -8.953 1.00 0.91 C ATOM 622 NE ARG A 401 -9.466 -5.062 -9.864 1.00 1.02 N ATOM 623 CZ ARG A 401 -8.637 -4.038 -9.693 1.00 1.25 C ATOM 624 NH1 ARG A 401 -8.781 -3.222 -8.659 1.00 1.55 N ATOM 625 NH2 ARG A 401 -7.659 -3.828 -10.564 1.00 1.43 N ATOM 0 H ARG A 401 -9.103 -5.908 -4.697 1.00 0.51 H new ATOM 0 HA ARG A 401 -11.542 -7.503 -4.924 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.757 -7.095 -7.312 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.858 -5.565 -6.464 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.590 -4.980 -7.082 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.284 -6.586 -7.711 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.169 -6.182 -9.386 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.208 -4.518 -8.838 1.00 0.91 H new ATOM 0 HE ARG A 401 -9.330 -5.657 -10.681 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -9.533 -3.378 -7.987 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -8.140 -2.438 -8.535 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.545 -4.452 -11.363 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -7.021 -3.043 -10.435 1.00 1.43 H new ATOM 639 N THR A 402 -10.196 -9.401 -5.791 1.00 0.82 N ATOM 640 CA THR A 402 -9.374 -10.554 -6.126 1.00 0.99 C ATOM 641 C THR A 402 -9.660 -11.037 -7.544 1.00 1.16 C ATOM 642 O THR A 402 -9.665 -12.238 -7.809 1.00 1.79 O ATOM 643 CB THR A 402 -9.616 -11.715 -5.144 1.00 1.14 C ATOM 644 OG1 THR A 402 -11.022 -11.922 -4.964 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.955 -11.440 -3.801 1.00 1.29 C ATOM 0 H THR A 402 -11.161 -9.628 -5.552 1.00 0.82 H new ATOM 0 HA THR A 402 -8.334 -10.236 -6.055 1.00 0.99 H new ATOM 0 HB THR A 402 -9.171 -12.616 -5.566 1.00 1.14 H new ATOM 0 HG1 THR A 402 -11.166 -12.663 -4.339 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.141 -12.275 -3.126 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.881 -11.320 -3.942 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.369 -10.528 -3.372 1.00 1.29 H new ATOM 653 N THR A 403 -9.897 -10.090 -8.451 1.00 1.43 N ATOM 654 CA THR A 403 -10.190 -10.407 -9.848 1.00 1.62 C ATOM 655 C THR A 403 -11.283 -11.482 -9.942 1.00 1.84 C ATOM 656 O THR A 403 -11.879 -11.859 -8.932 1.00 1.85 O ATOM 657 CB THR A 403 -8.920 -10.870 -10.593 1.00 1.77 C ATOM 658 OG1 THR A 403 -7.808 -10.064 -10.189 1.00 1.78 O ATOM 659 CG2 THR A 403 -9.086 -10.746 -12.102 1.00 1.95 C ATOM 0 H THR A 403 -9.892 -9.092 -8.241 1.00 1.43 H new ATOM 0 HA THR A 403 -10.552 -9.497 -10.326 1.00 1.62 H new ATOM 0 HB THR A 403 -8.748 -11.917 -10.343 1.00 1.77 H new ATOM 0 HG1 THR A 403 -7.041 -10.249 -10.771 1.00 1.78 H new ATOM 0 HG21 THR A 403 -8.174 -11.080 -12.597 1.00 1.95 H new ATOM 0 HG22 THR A 403 -9.923 -11.364 -12.428 1.00 1.95 H new ATOM 0 HG23 THR A 403 -9.280 -9.705 -12.362 1.00 1.95 H new ATOM 667 N GLU A 404 -11.554 -11.966 -11.150 1.00 2.08 N ATOM 668 CA GLU A 404 -12.577 -12.986 -11.351 1.00 2.34 C ATOM 669 C GLU A 404 -12.192 -14.294 -10.668 1.00 2.30 C ATOM 670 O GLU A 404 -13.035 -14.963 -10.068 1.00 2.37 O ATOM 671 CB GLU A 404 -12.806 -13.225 -12.845 1.00 2.72 C ATOM 672 CG GLU A 404 -13.338 -12.007 -13.586 1.00 2.91 C ATOM 673 CD GLU A 404 -14.729 -11.602 -13.133 1.00 3.42 C ATOM 674 OE1 GLU A 404 -15.306 -12.301 -12.274 1.00 3.79 O ATOM 675 OE2 GLU A 404 -15.246 -10.586 -13.646 1.00 3.87 O ATOM 0 H GLU A 404 -11.080 -11.669 -12.003 1.00 2.08 H new ATOM 0 HA GLU A 404 -13.502 -12.624 -10.902 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -11.866 -13.535 -13.302 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -13.508 -14.049 -12.968 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -12.655 -11.171 -13.438 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -13.356 -12.218 -14.655 1.00 2.91 H new ATOM 682 N ASN A 405 -10.917 -14.656 -10.768 1.00 2.26 N ATOM 683 CA ASN A 405 -10.419 -15.887 -10.163 1.00 2.30 C ATOM 684 C ASN A 405 -10.681 -15.934 -8.666 1.00 2.07 C ATOM 685 O ASN A 405 -11.267 -16.890 -8.158 1.00 2.40 O ATOM 686 CB ASN A 405 -8.917 -16.035 -10.403 1.00 2.43 C ATOM 687 CG ASN A 405 -8.591 -16.793 -11.671 1.00 2.67 C ATOM 688 OD1 ASN A 405 -9.140 -17.864 -11.928 1.00 3.16 O ATOM 689 ND2 ASN A 405 -7.673 -16.253 -12.459 1.00 2.73 N ATOM 0 H ASN A 405 -10.209 -14.114 -11.263 1.00 2.26 H new ATOM 0 HA ASN A 405 -10.957 -16.708 -10.637 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -8.464 -15.045 -10.452 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -8.468 -16.550 -9.553 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -7.395 -16.727 -13.318 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -7.244 -15.363 -12.206 1.00 2.73 H new ATOM 696 N ALA A 406 -10.216 -14.909 -7.958 1.00 1.82 N ATOM 697 CA ALA A 406 -10.372 -14.848 -6.512 1.00 1.67 C ATOM 698 C ALA A 406 -9.774 -16.096 -5.875 1.00 1.85 C ATOM 699 O ALA A 406 -10.342 -16.679 -4.951 1.00 2.18 O ATOM 700 CB ALA A 406 -11.835 -14.688 -6.132 1.00 1.72 C ATOM 0 H ALA A 406 -9.728 -14.110 -8.364 1.00 1.82 H new ATOM 0 HA ALA A 406 -9.838 -13.975 -6.137 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -11.926 -14.645 -5.047 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -12.225 -13.767 -6.566 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -12.404 -15.537 -6.511 1.00 1.72 H new ATOM 706 N ALA A 407 -8.619 -16.494 -6.395 1.00 1.91 N ATOM 707 CA ALA A 407 -7.909 -17.671 -5.915 1.00 2.19 C ATOM 708 C ALA A 407 -6.414 -17.393 -5.864 1.00 2.37 C ATOM 709 O ALA A 407 -5.601 -18.298 -5.670 1.00 2.77 O ATOM 710 CB ALA A 407 -8.190 -18.851 -6.831 1.00 2.38 C ATOM 0 H ALA A 407 -8.150 -16.010 -7.160 1.00 1.91 H new ATOM 0 HA ALA A 407 -8.256 -17.911 -4.910 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -7.656 -19.729 -6.467 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -9.261 -19.056 -6.842 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -7.855 -18.615 -7.841 1.00 2.38 H new ATOM 716 N ALA A 408 -6.073 -16.124 -6.047 1.00 2.15 N ATOM 717 CA ALA A 408 -4.690 -15.666 -6.042 1.00 2.35 C ATOM 718 C ALA A 408 -4.634 -14.155 -6.277 1.00 2.05 C ATOM 719 O ALA A 408 -3.986 -13.430 -5.522 1.00 1.99 O ATOM 720 CB ALA A 408 -3.873 -16.404 -7.094 1.00 2.76 C ATOM 0 H ALA A 408 -6.752 -15.379 -6.204 1.00 2.15 H new ATOM 0 HA ALA A 408 -4.257 -15.883 -5.066 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -2.844 -16.046 -7.072 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -3.890 -17.473 -6.884 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -4.300 -16.222 -8.080 1.00 2.76 H new ATOM 726 N PRO A 409 -5.327 -13.652 -7.325 1.00 1.99 N ATOM 727 CA PRO A 409 -5.356 -12.219 -7.634 1.00 1.80 C ATOM 728 C PRO A 409 -5.927 -11.398 -6.490 1.00 1.41 C ATOM 729 O PRO A 409 -6.793 -11.868 -5.757 1.00 1.86 O ATOM 730 CB PRO A 409 -6.257 -12.121 -8.869 1.00 2.10 C ATOM 731 CG PRO A 409 -7.038 -13.387 -8.884 1.00 2.49 C ATOM 732 CD PRO A 409 -6.141 -14.426 -8.282 1.00 2.27 C ATOM 0 HA PRO A 409 -4.354 -11.823 -7.801 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -6.914 -11.254 -8.809 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -5.667 -12.011 -9.779 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -7.959 -13.285 -8.310 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -7.324 -13.658 -9.900 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -6.711 -15.211 -7.784 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -5.523 -14.911 -9.037 1.00 2.27 H new ATOM 740 N ASP A 410 -5.429 -10.174 -6.338 1.00 0.92 N ATOM 741 CA ASP A 410 -5.886 -9.284 -5.276 1.00 0.79 C ATOM 742 C ASP A 410 -5.209 -7.920 -5.377 1.00 0.68 C ATOM 743 O ASP A 410 -3.997 -7.827 -5.568 1.00 0.93 O ATOM 744 CB ASP A 410 -5.613 -9.900 -3.902 1.00 1.18 C ATOM 745 CG ASP A 410 -4.139 -10.180 -3.676 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.556 -10.962 -4.456 1.00 1.99 O ATOM 747 OD2 ASP A 410 -3.568 -9.615 -2.720 1.00 2.14 O ATOM 0 H ASP A 410 -4.707 -9.776 -6.939 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.961 -9.148 -5.395 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -5.975 -9.225 -3.126 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.175 -10.829 -3.805 1.00 1.18 H new ATOM 752 N GLU A 411 -6.007 -6.866 -5.237 1.00 0.54 N ATOM 753 CA GLU A 411 -5.504 -5.498 -5.301 1.00 0.45 C ATOM 754 C GLU A 411 -6.295 -4.607 -4.352 1.00 0.40 C ATOM 755 O GLU A 411 -7.522 -4.679 -4.302 1.00 0.42 O ATOM 756 CB GLU A 411 -5.596 -4.956 -6.730 1.00 0.49 C ATOM 757 CG GLU A 411 -4.700 -5.687 -7.717 1.00 0.58 C ATOM 758 CD GLU A 411 -4.828 -5.154 -9.132 1.00 1.47 C ATOM 759 OE1 GLU A 411 -4.547 -3.956 -9.342 1.00 2.08 O ATOM 760 OE2 GLU A 411 -5.210 -5.936 -10.028 1.00 2.10 O ATOM 0 H GLU A 411 -7.012 -6.934 -5.077 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.457 -5.499 -4.999 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.629 -5.025 -7.070 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -5.332 -3.899 -6.726 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.663 -5.600 -7.393 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.948 -6.748 -7.709 1.00 0.58 H new ATOM 767 N TYR A 412 -5.589 -3.783 -3.584 1.00 0.38 N ATOM 768 CA TYR A 412 -6.240 -2.899 -2.625 1.00 0.35 C ATOM 769 C TYR A 412 -6.096 -1.433 -3.020 1.00 0.33 C ATOM 770 O TYR A 412 -4.992 -0.950 -3.270 1.00 0.34 O ATOM 771 CB TYR A 412 -5.659 -3.113 -1.222 1.00 0.39 C ATOM 772 CG TYR A 412 -5.824 -4.522 -0.688 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.212 -5.599 -1.319 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.599 -4.780 0.438 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.365 -6.888 -0.843 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.755 -6.065 0.921 1.00 0.61 C ATOM 777 CZ TYR A 412 -6.118 -7.104 0.311 1.00 0.62 C ATOM 778 OH TYR A 412 -6.290 -8.396 0.753 1.00 0.72 O ATOM 0 H TYR A 412 -4.572 -3.709 -3.607 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.301 -3.147 -2.623 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.598 -2.865 -1.239 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.138 -2.417 -0.533 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.606 -5.426 -2.196 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -7.088 -3.961 0.944 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.906 -7.719 -1.359 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.382 -6.246 1.782 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.835 -8.393 1.567 1.00 0.72 H new ATOM 788 N TYR A 413 -7.222 -0.725 -3.049 1.00 0.33 N ATOM 789 CA TYR A 413 -7.234 0.695 -3.385 1.00 0.32 C ATOM 790 C TYR A 413 -6.541 1.491 -2.285 1.00 0.32 C ATOM 791 O TYR A 413 -6.549 1.084 -1.126 1.00 0.40 O ATOM 792 CB TYR A 413 -8.672 1.188 -3.564 1.00 0.36 C ATOM 793 CG TYR A 413 -8.776 2.646 -3.964 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.023 3.151 -5.017 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.627 3.514 -3.290 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.115 4.479 -5.387 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.724 4.844 -3.656 1.00 0.48 C ATOM 798 CZ TYR A 413 -8.968 5.324 -4.693 1.00 0.46 C ATOM 799 OH TYR A 413 -9.060 6.644 -5.070 1.00 0.51 O ATOM 0 H TYR A 413 -8.142 -1.114 -2.843 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.698 0.840 -4.323 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.163 0.578 -4.322 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.216 1.038 -2.632 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.355 2.495 -5.555 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.222 3.144 -2.468 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.527 4.856 -6.211 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.395 5.503 -3.125 1.00 0.48 H new ATOM 0 HH TYR A 413 -9.699 7.106 -4.489 1.00 0.51 H new ATOM 809 N VAL A 414 -5.933 2.614 -2.645 1.00 0.33 N ATOM 810 CA VAL A 414 -5.236 3.433 -1.661 1.00 0.33 C ATOM 811 C VAL A 414 -5.294 4.917 -2.006 1.00 0.29 C ATOM 812 O VAL A 414 -5.124 5.310 -3.160 1.00 0.38 O ATOM 813 CB VAL A 414 -3.763 3.005 -1.522 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.033 3.151 -2.848 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.073 3.814 -0.436 1.00 1.15 C ATOM 0 H VAL A 414 -5.908 2.976 -3.598 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.751 3.277 -0.713 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.737 1.954 -1.235 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.994 2.843 -2.727 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.513 2.523 -3.599 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.068 4.192 -3.170 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.033 3.498 -0.352 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.111 4.873 -0.692 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.579 3.652 0.516 1.00 1.15 H new ATOM 825 N HIS A 415 -5.527 5.733 -0.984 1.00 0.33 N ATOM 826 CA HIS A 415 -5.602 7.178 -1.146 1.00 0.32 C ATOM 827 C HIS A 415 -4.470 7.856 -0.381 1.00 0.32 C ATOM 828 O HIS A 415 -4.542 8.013 0.838 1.00 0.34 O ATOM 829 CB HIS A 415 -6.953 7.694 -0.644 1.00 0.37 C ATOM 830 CG HIS A 415 -7.081 9.184 -0.678 1.00 0.44 C ATOM 831 ND1 HIS A 415 -6.958 9.925 -1.834 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.320 10.075 0.314 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.115 11.207 -1.552 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.336 11.324 -0.257 1.00 0.62 N ATOM 0 H HIS A 415 -5.668 5.413 -0.026 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.502 7.415 -2.205 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.746 7.257 -1.250 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.106 7.349 0.379 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -6.774 9.544 -2.762 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.470 9.846 1.359 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.070 12.020 -2.261 1.00 0.60 H new ATOM 843 N TYR A 416 -3.425 8.254 -1.100 1.00 0.37 N ATOM 844 CA TYR A 416 -2.283 8.910 -0.476 1.00 0.40 C ATOM 845 C TYR A 416 -2.700 10.237 0.145 1.00 0.45 C ATOM 846 O TYR A 416 -3.258 11.102 -0.531 1.00 0.57 O ATOM 847 CB TYR A 416 -1.162 9.131 -1.498 1.00 0.46 C ATOM 848 CG TYR A 416 -0.565 7.850 -2.041 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.361 6.914 -2.688 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.790 7.578 -1.909 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.823 5.743 -3.188 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.336 6.410 -2.406 1.00 0.54 C ATOM 853 CZ TYR A 416 0.538 5.496 -3.031 1.00 0.57 C ATOM 854 OH TYR A 416 1.064 4.332 -3.541 1.00 0.65 O ATOM 0 H TYR A 416 -3.346 8.134 -2.110 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.908 8.260 0.314 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.552 9.719 -2.329 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.371 9.720 -1.034 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.418 7.104 -2.802 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.428 8.292 -1.409 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.452 5.027 -3.695 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.394 6.220 -2.300 1.00 0.54 H new ATOM 0 HH TYR A 416 2.026 4.299 -3.356 1.00 0.65 H new ATOM 864 N VAL A 417 -2.425 10.390 1.437 1.00 0.45 N ATOM 865 CA VAL A 417 -2.773 11.612 2.149 1.00 0.55 C ATOM 866 C VAL A 417 -1.826 12.744 1.783 1.00 0.66 C ATOM 867 O VAL A 417 -0.607 12.594 1.850 1.00 1.34 O ATOM 868 CB VAL A 417 -2.752 11.395 3.674 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.087 12.684 4.410 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.724 10.293 4.056 1.00 1.01 C ATOM 0 H VAL A 417 -1.963 9.684 2.010 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.785 11.884 1.848 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.746 11.093 3.967 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.066 12.505 5.485 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.354 13.450 4.155 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.081 13.022 4.118 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.702 10.147 5.136 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.731 10.573 3.748 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.437 9.366 3.559 1.00 1.01 H new ATOM 880 N GLY A 418 -2.400 13.876 1.398 1.00 0.71 N ATOM 881 CA GLY A 418 -1.599 15.028 1.021 1.00 0.82 C ATOM 882 C GLY A 418 -0.994 14.899 -0.367 1.00 0.72 C ATOM 883 O GLY A 418 -0.956 15.869 -1.124 1.00 0.76 O ATOM 0 H GLY A 418 -3.408 14.019 1.339 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.219 15.924 1.060 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.799 15.162 1.749 1.00 0.82 H new ATOM 887 N LEU A 419 -0.512 13.702 -0.698 1.00 0.66 N ATOM 888 CA LEU A 419 0.104 13.446 -1.993 1.00 0.60 C ATOM 889 C LEU A 419 -0.856 13.722 -3.147 1.00 0.59 C ATOM 890 O LEU A 419 -2.075 13.717 -2.978 1.00 0.76 O ATOM 891 CB LEU A 419 0.588 11.999 -2.055 1.00 0.58 C ATOM 892 CG LEU A 419 1.875 11.698 -1.280 1.00 0.78 C ATOM 893 CD1 LEU A 419 3.079 12.289 -1.997 1.00 1.60 C ATOM 894 CD2 LEU A 419 1.799 12.225 0.146 1.00 1.40 C ATOM 0 H LEU A 419 -0.538 12.891 -0.080 1.00 0.66 H new ATOM 0 HA LEU A 419 0.949 14.126 -2.099 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.203 11.353 -1.675 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.743 11.731 -3.100 1.00 0.58 H new ATOM 0 HG LEU A 419 1.989 10.615 -1.233 1.00 0.78 H new ATOM 0 HD11 LEU A 419 3.984 12.066 -1.433 1.00 1.60 H new ATOM 0 HD12 LEU A 419 3.157 11.856 -2.994 1.00 1.60 H new ATOM 0 HD13 LEU A 419 2.960 13.369 -2.079 1.00 1.60 H new ATOM 0 HD21 LEU A 419 2.727 11.995 0.669 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.651 13.305 0.127 1.00 1.40 H new ATOM 0 HD23 LEU A 419 0.964 11.753 0.664 1.00 1.40 H new ATOM 906 N ASN A 420 -0.276 13.968 -4.317 1.00 0.61 N ATOM 907 CA ASN A 420 -1.037 14.258 -5.528 1.00 0.63 C ATOM 908 C ASN A 420 -2.097 13.195 -5.799 1.00 0.56 C ATOM 909 O ASN A 420 -1.900 12.016 -5.504 1.00 0.56 O ATOM 910 CB ASN A 420 -0.089 14.336 -6.723 1.00 0.75 C ATOM 911 CG ASN A 420 1.009 15.363 -6.532 1.00 1.57 C ATOM 912 OD1 ASN A 420 1.770 15.303 -5.567 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.099 16.307 -7.459 1.00 1.98 N ATOM 0 H ASN A 420 0.735 13.972 -4.453 1.00 0.61 H new ATOM 0 HA ASN A 420 -1.542 15.212 -5.381 1.00 0.63 H new ATOM 0 HB2 ASN A 420 0.360 13.357 -6.890 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.659 14.582 -7.619 1.00 0.75 H new ATOM 0 HD21 ASN A 420 1.822 17.023 -7.389 1.00 1.98 H new ATOM 0 HD22 ASN A 420 0.445 16.317 -8.242 1.00 1.98 H new ATOM 920 N ARG A 421 -3.216 13.623 -6.380 1.00 0.62 N ATOM 921 CA ARG A 421 -4.305 12.712 -6.713 1.00 0.67 C ATOM 922 C ARG A 421 -3.836 11.659 -7.712 1.00 0.66 C ATOM 923 O ARG A 421 -4.223 10.494 -7.628 1.00 0.69 O ATOM 924 CB ARG A 421 -5.490 13.484 -7.297 1.00 0.87 C ATOM 925 CG ARG A 421 -6.126 14.458 -6.321 1.00 1.09 C ATOM 926 CD ARG A 421 -7.299 15.189 -6.954 1.00 1.51 C ATOM 927 NE ARG A 421 -8.311 14.263 -7.457 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.433 14.650 -8.055 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.693 15.939 -8.217 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.299 13.743 -8.492 1.00 3.98 N ATOM 0 H ARG A 421 -3.391 14.596 -6.629 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.622 12.214 -5.797 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -5.156 14.032 -8.178 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.246 12.773 -7.631 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.465 13.920 -5.436 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.381 15.181 -5.988 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -7.750 15.856 -6.219 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -6.939 15.813 -7.772 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.147 13.263 -7.343 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -9.031 16.639 -7.882 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -10.555 16.231 -8.677 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -10.103 12.750 -8.369 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -11.160 14.040 -8.951 1.00 3.98 H new ATOM 944 N ARG A 422 -2.997 12.083 -8.654 1.00 0.71 N ATOM 945 CA ARG A 422 -2.463 11.183 -9.672 1.00 0.83 C ATOM 946 C ARG A 422 -1.798 9.986 -9.009 1.00 0.72 C ATOM 947 O ARG A 422 -1.926 8.850 -9.466 1.00 0.77 O ATOM 948 CB ARG A 422 -1.449 11.917 -10.552 1.00 1.01 C ATOM 949 CG ARG A 422 -1.949 13.257 -11.060 1.00 1.19 C ATOM 950 CD ARG A 422 -0.938 13.917 -11.985 1.00 1.49 C ATOM 951 NE ARG A 422 -1.411 15.208 -12.480 1.00 2.09 N ATOM 952 CZ ARG A 422 -2.422 15.348 -13.333 1.00 2.79 C ATOM 953 NH1 ARG A 422 -3.021 14.281 -13.844 1.00 3.07 N ATOM 954 NH2 ARG A 422 -2.822 16.560 -13.692 1.00 3.71 N ATOM 0 H ARG A 422 -2.672 13.047 -8.733 1.00 0.71 H new ATOM 0 HA ARG A 422 -3.286 10.836 -10.297 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -0.531 12.072 -9.984 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -1.195 11.286 -11.404 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -2.891 13.117 -11.590 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -2.153 13.914 -10.215 1.00 1.19 H new ATOM 0 HD2 ARG A 422 0.004 14.055 -11.454 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.734 13.258 -12.829 1.00 1.49 H new ATOM 0 HE ARG A 422 -0.939 16.051 -12.152 1.00 2.09 H new ATOM 0 HH11 ARG A 422 -2.707 13.346 -13.583 1.00 3.07 H new ATOM 0 HH12 ARG A 422 -3.796 14.395 -14.498 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -2.355 17.384 -13.314 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -3.597 16.668 -14.346 1.00 3.71 H new ATOM 968 N LEU A 423 -1.101 10.262 -7.915 1.00 0.65 N ATOM 969 CA LEU A 423 -0.418 9.229 -7.151 1.00 0.62 C ATOM 970 C LEU A 423 -1.428 8.244 -6.571 1.00 0.52 C ATOM 971 O LEU A 423 -1.164 7.045 -6.473 1.00 0.53 O ATOM 972 CB LEU A 423 0.392 9.873 -6.021 1.00 0.69 C ATOM 973 CG LEU A 423 1.789 10.391 -6.394 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.783 11.143 -7.720 1.00 1.31 C ATOM 975 CD2 LEU A 423 2.316 11.292 -5.288 1.00 1.49 C ATOM 0 H LEU A 423 -0.994 11.202 -7.535 1.00 0.65 H new ATOM 0 HA LEU A 423 0.256 8.687 -7.814 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.185 10.705 -5.618 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.501 9.143 -5.219 1.00 0.69 H new ATOM 0 HG LEU A 423 2.443 9.527 -6.510 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.791 11.492 -7.945 1.00 1.31 H new ATOM 0 HD12 LEU A 423 1.443 10.478 -8.514 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.110 11.998 -7.650 1.00 1.31 H new ATOM 0 HD21 LEU A 423 3.307 11.657 -5.557 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.642 12.138 -5.155 1.00 1.49 H new ATOM 0 HD23 LEU A 423 2.378 10.728 -4.357 1.00 1.49 H new ATOM 987 N ASP A 424 -2.586 8.771 -6.185 1.00 0.49 N ATOM 988 CA ASP A 424 -3.652 7.964 -5.606 1.00 0.50 C ATOM 989 C ASP A 424 -4.215 6.977 -6.625 1.00 0.45 C ATOM 990 O ASP A 424 -4.510 7.342 -7.762 1.00 0.49 O ATOM 991 CB ASP A 424 -4.769 8.872 -5.093 1.00 0.66 C ATOM 992 CG ASP A 424 -4.265 9.906 -4.105 1.00 0.81 C ATOM 993 OD1 ASP A 424 -3.060 9.880 -3.784 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.074 10.744 -3.653 1.00 1.20 O ATOM 0 H ASP A 424 -2.810 9.763 -6.264 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.233 7.394 -4.777 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.239 9.378 -5.937 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.539 8.264 -4.618 1.00 0.66 H new ATOM 999 N GLY A 425 -4.371 5.727 -6.201 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.909 4.703 -7.079 1.00 0.50 C ATOM 1001 C GLY A 425 -4.866 3.326 -6.446 1.00 0.45 C ATOM 1002 O GLY A 425 -4.892 3.200 -5.223 1.00 0.70 O ATOM 0 H GLY A 425 -4.134 5.404 -5.263 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.939 4.951 -7.336 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.343 4.691 -8.010 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.792 2.292 -7.276 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.736 0.922 -6.781 1.00 0.44 C ATOM 1008 C TRP A 426 -3.297 0.428 -6.706 1.00 0.45 C ATOM 1009 O TRP A 426 -2.486 0.709 -7.589 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.568 -0.008 -7.665 1.00 0.47 C ATOM 1011 CG TRP A 426 -7.031 0.318 -7.652 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.641 1.380 -8.255 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -8.065 -0.413 -6.983 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.994 1.345 -8.014 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -9.278 0.255 -7.234 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.083 -1.572 -6.200 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.495 -0.197 -6.729 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.291 -2.018 -5.700 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.482 -1.333 -5.967 1.00 0.59 C ATOM 0 H TRP A 426 -4.769 2.376 -8.292 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.156 0.913 -5.775 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -5.199 0.048 -8.689 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.428 -1.036 -7.332 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -7.135 2.137 -8.836 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.676 2.021 -8.360 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.169 -2.108 -5.990 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.415 0.330 -6.932 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.317 -2.911 -5.093 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.410 -1.709 -5.563 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.986 -0.303 -5.640 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.642 -0.831 -5.439 1.00 0.46 C ATOM 1032 C VAL A 427 -1.689 -2.221 -4.810 1.00 0.51 C ATOM 1033 O VAL A 427 -2.555 -2.511 -3.985 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.799 0.097 -4.538 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.761 1.508 -5.098 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.339 0.106 -3.120 1.00 0.85 C ATOM 0 H VAL A 427 -3.648 -0.543 -4.902 1.00 0.39 H new ATOM 0 HA VAL A 427 -1.176 -0.891 -6.422 1.00 0.46 H new ATOM 0 HB VAL A 427 0.219 -0.291 -4.517 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.161 2.142 -4.445 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.320 1.492 -6.095 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.775 1.904 -5.157 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.730 0.766 -2.503 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.369 0.462 -3.125 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.307 -0.904 -2.712 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.752 -3.074 -5.208 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.699 -4.422 -4.675 1.00 0.65 C ATOM 1048 C GLY A 428 -0.538 -4.442 -3.167 1.00 0.79 C ATOM 1049 O GLY A 428 0.036 -3.522 -2.585 1.00 1.72 O ATOM 0 H GLY A 428 -0.027 -2.855 -5.891 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.611 -4.953 -4.947 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.132 -4.959 -5.133 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.054 -5.493 -2.536 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.977 -5.642 -1.086 1.00 0.54 C ATOM 1055 C ARG A 429 0.454 -5.469 -0.573 1.00 0.49 C ATOM 1056 O ARG A 429 0.672 -4.859 0.474 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.529 -7.011 -0.670 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.102 -7.460 0.722 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.508 -6.463 1.796 1.00 0.85 C ATOM 1060 NE ARG A 429 -0.956 -6.820 3.102 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.987 -6.021 4.163 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -1.496 -4.801 4.066 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.493 -6.436 5.322 1.00 1.65 N ATOM 0 H ARG A 429 -1.533 -6.259 -3.010 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.584 -4.856 -0.637 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.618 -6.979 -0.711 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.204 -7.757 -1.396 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.548 -8.430 0.942 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.020 -7.594 0.743 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.165 -5.467 1.516 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.595 -6.420 1.860 1.00 0.85 H new ATOM 0 HE ARG A 429 -0.521 -7.737 3.205 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -1.866 -4.472 3.174 1.00 1.73 H new ATOM 0 HH12 ARG A 429 -1.518 -4.191 4.883 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -0.089 -7.369 5.399 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.517 -5.822 6.136 1.00 1.65 H new ATOM 1077 N HIS A 430 1.424 -6.011 -1.303 1.00 0.49 N ATOM 1078 CA HIS A 430 2.825 -5.917 -0.900 1.00 0.53 C ATOM 1079 C HIS A 430 3.224 -4.473 -0.601 1.00 0.47 C ATOM 1080 O HIS A 430 4.092 -4.222 0.236 1.00 0.49 O ATOM 1081 CB HIS A 430 3.736 -6.486 -1.990 1.00 0.65 C ATOM 1082 CG HIS A 430 3.638 -5.767 -3.299 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.467 -5.673 -4.024 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.576 -5.104 -4.017 1.00 1.47 C ATOM 1085 CE1 HIS A 430 2.691 -4.985 -5.130 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.961 -4.629 -5.150 1.00 1.46 N ATOM 0 H HIS A 430 1.268 -6.518 -2.174 1.00 0.49 H new ATOM 0 HA HIS A 430 2.943 -6.503 0.012 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.769 -6.449 -1.643 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.489 -7.536 -2.144 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.614 -4.973 -3.749 1.00 1.47 H new ATOM 0 HE1 HIS A 430 1.958 -4.753 -5.889 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.413 -4.088 -5.887 1.00 1.46 H new ATOM 1095 N ARG A 431 2.595 -3.532 -1.294 1.00 0.43 N ATOM 1096 CA ARG A 431 2.894 -2.117 -1.105 1.00 0.41 C ATOM 1097 C ARG A 431 2.196 -1.545 0.128 1.00 0.37 C ATOM 1098 O ARG A 431 2.774 -0.732 0.843 1.00 0.57 O ATOM 1099 CB ARG A 431 2.514 -1.319 -2.353 1.00 0.44 C ATOM 1100 CG ARG A 431 3.299 -1.724 -3.592 1.00 0.53 C ATOM 1101 CD ARG A 431 2.990 -0.814 -4.770 1.00 0.64 C ATOM 1102 NE ARG A 431 3.750 -1.183 -5.963 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.642 -0.556 -7.132 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.801 0.462 -7.272 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.373 -0.949 -8.167 1.00 2.84 N ATOM 0 H ARG A 431 1.875 -3.722 -1.991 1.00 0.43 H new ATOM 0 HA ARG A 431 3.968 -2.030 -0.941 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.449 -1.449 -2.548 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.676 -0.258 -2.160 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.367 -1.690 -3.375 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.060 -2.755 -3.855 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.924 -0.858 -4.992 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.217 0.217 -4.500 1.00 0.64 H new ATOM 0 HE ARG A 431 4.400 -1.966 -5.896 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.234 0.767 -6.481 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.722 0.939 -8.170 1.00 2.55 H new ATOM 0 HH21 ARG A 431 5.019 -1.732 -8.067 1.00 2.84 H new ATOM 0 HH22 ARG A 431 4.289 -0.468 -9.062 1.00 2.84 H new ATOM 1119 N ILE A 432 0.959 -1.962 0.380 1.00 0.39 N ATOM 1120 CA ILE A 432 0.225 -1.459 1.539 1.00 0.36 C ATOM 1121 C ILE A 432 0.511 -2.311 2.771 1.00 0.38 C ATOM 1122 O ILE A 432 0.470 -3.538 2.715 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.297 -1.411 1.284 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.592 -0.514 0.082 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -2.022 -0.907 2.523 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -3.047 -0.499 -0.336 1.00 0.46 C ATOM 0 H ILE A 432 0.449 -2.636 -0.191 1.00 0.39 H new ATOM 0 HA ILE A 432 0.571 -0.440 1.715 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.656 -2.417 1.065 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.282 0.504 0.317 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.986 -0.844 -0.762 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -3.094 -0.878 2.330 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.822 -1.577 3.359 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.670 0.095 2.768 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.172 0.161 -1.195 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.359 -1.508 -0.605 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.659 -0.139 0.491 1.00 0.46 H new ATOM 1138 N SER A 433 0.816 -1.641 3.881 1.00 0.34 N ATOM 1139 CA SER A 433 1.130 -2.324 5.132 1.00 0.38 C ATOM 1140 C SER A 433 1.041 -1.369 6.318 1.00 0.36 C ATOM 1141 O SER A 433 1.404 -0.197 6.214 1.00 0.34 O ATOM 1142 CB SER A 433 2.536 -2.922 5.064 1.00 0.41 C ATOM 1143 OG SER A 433 2.615 -3.949 4.090 1.00 0.53 O ATOM 0 H SER A 433 0.852 -0.623 3.938 1.00 0.34 H new ATOM 0 HA SER A 433 0.399 -3.120 5.272 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.255 -2.138 4.827 1.00 0.41 H new ATOM 0 HB3 SER A 433 2.810 -3.322 6.040 1.00 0.41 H new ATOM 0 HG SER A 433 1.717 -4.153 3.756 1.00 0.53 H new ATOM 1149 N ASP A 434 0.563 -1.881 7.448 1.00 0.43 N ATOM 1150 CA ASP A 434 0.431 -1.081 8.661 1.00 0.48 C ATOM 1151 C ASP A 434 1.793 -0.825 9.306 1.00 0.48 C ATOM 1152 O ASP A 434 1.872 -0.440 10.474 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.495 -1.780 9.660 1.00 0.60 C ATOM 1154 CG ASP A 434 0.030 -3.137 10.085 1.00 0.83 C ATOM 1155 OD1 ASP A 434 0.204 -4.009 9.208 1.00 1.12 O ATOM 1156 OD2 ASP A 434 0.268 -3.328 11.296 1.00 1.35 O ATOM 0 H ASP A 434 0.260 -2.850 7.549 1.00 0.43 H new ATOM 0 HA ASP A 434 -0.001 -0.120 8.382 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.617 -1.149 10.540 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.482 -1.899 9.214 1.00 0.60 H new ATOM 1161 N ASN A 435 2.862 -1.041 8.543 1.00 0.43 N ATOM 1162 CA ASN A 435 4.217 -0.833 9.044 1.00 0.47 C ATOM 1163 C ASN A 435 5.164 -0.474 7.902 1.00 0.39 C ATOM 1164 O ASN A 435 5.159 -1.113 6.851 1.00 0.38 O ATOM 1165 CB ASN A 435 4.710 -2.088 9.768 1.00 0.59 C ATOM 1166 CG ASN A 435 6.073 -1.895 10.403 1.00 1.26 C ATOM 1167 OD1 ASN A 435 6.268 -0.997 11.222 1.00 2.16 O ATOM 1168 ND2 ASN A 435 7.023 -2.745 10.032 1.00 1.81 N ATOM 0 H ASN A 435 2.815 -1.360 7.575 1.00 0.43 H new ATOM 0 HA ASN A 435 4.201 -0.003 9.750 1.00 0.47 H new ATOM 0 HB2 ASN A 435 3.990 -2.366 10.538 1.00 0.59 H new ATOM 0 HB3 ASN A 435 4.756 -2.917 9.061 1.00 0.59 H new ATOM 0 HD21 ASN A 435 7.959 -2.669 10.429 1.00 1.81 H new ATOM 0 HD22 ASN A 435 6.817 -3.474 9.350 1.00 1.81 H new ATOM 1175 N ALA A 436 5.961 0.570 8.114 1.00 0.49 N ATOM 1176 CA ALA A 436 6.904 1.044 7.103 1.00 0.55 C ATOM 1177 C ALA A 436 8.173 0.198 7.044 1.00 0.55 C ATOM 1178 O ALA A 436 8.750 0.014 5.972 1.00 0.54 O ATOM 1179 CB ALA A 436 7.257 2.499 7.364 1.00 0.75 C ATOM 0 H ALA A 436 5.973 1.107 8.981 1.00 0.49 H new ATOM 0 HA ALA A 436 6.413 0.952 6.134 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.960 2.844 6.606 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.352 3.106 7.323 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.712 2.592 8.350 1.00 0.75 H new ATOM 1185 N ASP A 437 8.619 -0.294 8.197 1.00 0.65 N ATOM 1186 CA ASP A 437 9.838 -1.101 8.268 1.00 0.75 C ATOM 1187 C ASP A 437 9.837 -2.210 7.218 1.00 0.71 C ATOM 1188 O ASP A 437 10.862 -2.487 6.597 1.00 0.78 O ATOM 1189 CB ASP A 437 9.994 -1.706 9.664 1.00 0.92 C ATOM 1190 CG ASP A 437 10.083 -0.648 10.747 1.00 1.02 C ATOM 1191 OD1 ASP A 437 9.119 0.133 10.894 1.00 1.34 O ATOM 1192 OD2 ASP A 437 11.114 -0.601 11.449 1.00 1.34 O ATOM 0 H ASP A 437 8.157 -0.149 9.095 1.00 0.65 H new ATOM 0 HA ASP A 437 10.682 -0.443 8.064 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.148 -2.362 9.869 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.891 -2.325 9.690 1.00 0.92 H new ATOM 1197 N ASP A 438 8.682 -2.836 7.022 1.00 0.68 N ATOM 1198 CA ASP A 438 8.547 -3.911 6.043 1.00 0.73 C ATOM 1199 C ASP A 438 8.811 -3.404 4.634 1.00 0.73 C ATOM 1200 O ASP A 438 9.326 -4.132 3.785 1.00 1.35 O ATOM 1201 CB ASP A 438 7.151 -4.531 6.119 1.00 0.88 C ATOM 1202 CG ASP A 438 6.855 -5.128 7.481 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.612 -6.021 7.915 1.00 1.36 O ATOM 1204 OD2 ASP A 438 5.867 -4.701 8.115 1.00 1.56 O ATOM 0 H ASP A 438 7.824 -2.618 7.528 1.00 0.68 H new ATOM 0 HA ASP A 438 9.289 -4.673 6.280 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.406 -3.769 5.890 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.059 -5.306 5.358 1.00 0.88 H new ATOM 1209 N LEU A 439 8.435 -2.161 4.389 1.00 0.54 N ATOM 1210 CA LEU A 439 8.602 -1.553 3.080 1.00 0.53 C ATOM 1211 C LEU A 439 9.991 -0.945 2.889 1.00 0.61 C ATOM 1212 O LEU A 439 10.889 -1.592 2.351 1.00 0.86 O ATOM 1213 CB LEU A 439 7.523 -0.496 2.868 1.00 0.52 C ATOM 1214 CG LEU A 439 6.117 -1.051 2.639 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.614 -1.819 3.846 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.159 0.072 2.296 1.00 1.10 C ATOM 0 H LEU A 439 8.009 -1.549 5.085 1.00 0.54 H new ATOM 0 HA LEU A 439 8.501 -2.341 2.334 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.502 0.161 3.738 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.800 0.118 2.011 1.00 0.52 H new ATOM 0 HG LEU A 439 6.168 -1.747 1.802 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.612 -2.198 3.645 1.00 1.12 H new ATOM 0 HD12 LEU A 439 6.283 -2.655 4.050 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.585 -1.157 4.712 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.161 -0.337 2.135 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.130 0.789 3.117 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.496 0.573 1.389 1.00 1.10 H new ATOM 1228 N GLY A 440 10.159 0.307 3.315 1.00 0.59 N ATOM 1229 CA GLY A 440 11.440 0.974 3.156 1.00 0.77 C ATOM 1230 C GLY A 440 11.543 2.260 3.954 1.00 0.96 C ATOM 1231 O GLY A 440 11.876 3.312 3.408 1.00 1.36 O ATOM 0 H GLY A 440 9.435 0.867 3.765 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.236 0.297 3.465 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.600 1.194 2.101 1.00 0.77 H new ATOM 1235 N GLY A 441 11.261 2.175 5.250 1.00 0.93 N ATOM 1236 CA GLY A 441 11.334 3.346 6.106 1.00 1.24 C ATOM 1237 C GLY A 441 10.218 4.330 5.846 1.00 1.14 C ATOM 1238 O GLY A 441 9.111 3.944 5.467 1.00 1.83 O ATOM 0 H GLY A 441 10.983 1.315 5.724 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.299 3.031 7.149 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.293 3.842 5.955 1.00 1.24 H new ATOM 1242 N ILE A 442 10.514 5.610 6.042 1.00 1.10 N ATOM 1243 CA ILE A 442 9.535 6.662 5.820 1.00 1.03 C ATOM 1244 C ILE A 442 10.009 7.606 4.725 1.00 1.05 C ATOM 1245 O ILE A 442 10.943 8.380 4.931 1.00 1.39 O ATOM 1246 CB ILE A 442 9.279 7.474 7.107 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.800 6.556 8.235 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.265 8.579 6.846 1.00 1.38 C ATOM 1249 CD1 ILE A 442 7.479 5.871 7.952 1.00 1.48 C ATOM 0 H ILE A 442 11.426 5.942 6.355 1.00 1.10 H new ATOM 0 HA ILE A 442 8.605 6.181 5.517 1.00 1.03 H new ATOM 0 HB ILE A 442 10.217 7.935 7.417 1.00 1.26 H new ATOM 0 HG12 ILE A 442 9.560 5.796 8.419 1.00 1.41 H new ATOM 0 HG13 ILE A 442 8.706 7.140 9.150 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.096 9.142 7.764 1.00 1.38 H new ATOM 0 HG22 ILE A 442 8.647 9.248 6.075 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.325 8.139 6.512 1.00 1.38 H new ATOM 0 HD11 ILE A 442 7.208 5.239 8.798 1.00 1.48 H new ATOM 0 HD12 ILE A 442 6.705 6.623 7.799 1.00 1.48 H new ATOM 0 HD13 ILE A 442 7.572 5.258 7.056 1.00 1.48 H new