USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 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 Set 1.1: A 396 GLN : amide:sc= -0.459 X(o=-0.052,f=0.1) USER MOD Set 1.2: A 415 HIS : no HE2:sc= 0.407 K(o=-0.052,f=-1.5) USER MOD Set 2.1: A 378 ASN : amide:sc= -6.09! C(o=-5.7!,f=-1.2!) USER MOD Set 2.2: A 383 TYR OH : rot 125:sc= 0.35 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 158:sc= -0.958 (180deg=-1.62) USER MOD Single : A 391 THR OG1 : rot -136:sc= 1.15 USER MOD Single : A 393 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.76) USER MOD Single : A 399 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 405 ASN : amide:sc= -4.29! K(o=-4.3!,f=-0.94) 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 416 TYR OH : rot 120:sc= -1.26 USER MOD Single : A 420 ASN : amide:sc= -4.83! K(o=-4.8!,f=-0.62) USER MOD Single : A 430 HIS : no HD1:sc= -3.18! C(o=-3.2!,f=-4.6!) USER MOD Single : A 433 SER OG : rot -13:sc= 0.603 USER MOD Single : A 435 ASN : amide:sc= -4.45! K(o=-4.5!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -4.568 -6.820 4.786 1.00 1.42 N ATOM 158 CA ILE A 373 -4.889 -5.499 5.316 1.00 1.22 C ATOM 159 C ILE A 373 -6.386 -5.334 5.565 1.00 1.13 C ATOM 160 O ILE A 373 -7.209 -5.634 4.700 1.00 1.20 O ATOM 161 CB ILE A 373 -4.417 -4.383 4.361 1.00 1.16 C ATOM 162 CG1 ILE A 373 -2.898 -4.442 4.168 1.00 1.40 C ATOM 163 CG2 ILE A 373 -4.840 -3.017 4.882 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.104 -4.222 5.442 1.00 1.48 C ATOM 0 HA ILE A 373 -4.362 -5.413 6.266 1.00 1.22 H new ATOM 0 HB ILE A 373 -4.890 -4.540 3.392 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -2.633 -5.413 3.750 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -2.606 -3.689 3.436 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.498 -2.243 4.195 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -5.926 -2.978 4.960 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -4.399 -2.850 5.865 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.038 -4.279 5.221 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.338 -3.239 5.851 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.365 -4.990 6.171 1.00 1.48 H new ATOM 176 N ASP A 374 -6.725 -4.843 6.753 1.00 1.16 N ATOM 177 CA ASP A 374 -8.114 -4.615 7.130 1.00 1.17 C ATOM 178 C ASP A 374 -8.547 -3.203 6.742 1.00 1.03 C ATOM 179 O ASP A 374 -7.769 -2.257 6.865 1.00 1.25 O ATOM 180 CB ASP A 374 -8.294 -4.829 8.632 1.00 1.40 C ATOM 181 CG ASP A 374 -7.923 -6.234 9.064 1.00 1.77 C ATOM 182 OD1 ASP A 374 -6.754 -6.627 8.866 1.00 2.17 O ATOM 183 OD2 ASP A 374 -8.800 -6.942 9.602 1.00 2.04 O ATOM 0 H ASP A 374 -6.050 -4.594 7.476 1.00 1.16 H new ATOM 0 HA ASP A 374 -8.741 -5.329 6.596 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -7.680 -4.111 9.175 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -9.331 -4.630 8.903 1.00 1.40 H new ATOM 188 N ILE A 375 -9.781 -3.064 6.263 1.00 0.84 N ATOM 189 CA ILE A 375 -10.291 -1.760 5.848 1.00 0.76 C ATOM 190 C ILE A 375 -11.399 -1.245 6.769 1.00 0.76 C ATOM 191 O ILE A 375 -11.157 -0.401 7.629 1.00 0.79 O ATOM 192 CB ILE A 375 -10.822 -1.803 4.406 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.670 -1.975 3.413 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.620 -0.546 4.106 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.126 -2.113 1.976 1.00 0.92 C ATOM 0 H ILE A 375 -10.442 -3.833 6.153 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.446 -1.074 5.909 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.484 -2.662 4.300 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -9.001 -1.118 3.493 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.092 -2.857 3.689 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.992 -0.587 3.082 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.462 -0.476 4.795 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.980 0.328 4.225 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.257 -2.231 1.328 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.771 -2.987 1.881 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.679 -1.221 1.682 1.00 0.92 H new ATOM 207 N SER A 376 -12.617 -1.744 6.561 1.00 0.79 N ATOM 208 CA SER A 376 -13.772 -1.324 7.355 1.00 0.87 C ATOM 209 C SER A 376 -13.482 -1.453 8.839 1.00 0.96 C ATOM 210 O SER A 376 -14.111 -0.804 9.675 1.00 1.54 O ATOM 211 CB SER A 376 -15.001 -2.159 6.991 1.00 0.95 C ATOM 212 OG SER A 376 -16.133 -1.755 7.740 1.00 1.71 O ATOM 0 H SER A 376 -12.830 -2.441 5.848 1.00 0.79 H new ATOM 0 HA SER A 376 -13.974 -0.277 7.130 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.211 -2.058 5.926 1.00 0.95 H new ATOM 0 HB3 SER A 376 -14.796 -3.213 7.177 1.00 0.95 H new ATOM 0 HG SER A 376 -16.905 -2.303 7.487 1.00 1.71 H new ATOM 218 N GLU A 377 -12.523 -2.303 9.145 1.00 0.93 N ATOM 219 CA GLU A 377 -12.112 -2.558 10.513 1.00 1.03 C ATOM 220 C GLU A 377 -11.555 -1.295 11.165 1.00 0.87 C ATOM 221 O GLU A 377 -11.803 -1.028 12.341 1.00 0.93 O ATOM 222 CB GLU A 377 -11.061 -3.663 10.520 1.00 1.18 C ATOM 223 CG GLU A 377 -11.499 -4.904 9.760 1.00 1.28 C ATOM 224 CD GLU A 377 -12.467 -5.764 10.549 1.00 1.54 C ATOM 225 OE1 GLU A 377 -12.092 -6.224 11.647 1.00 1.90 O ATOM 226 OE2 GLU A 377 -13.602 -5.973 10.070 1.00 1.92 O ATOM 0 H GLU A 377 -12.004 -2.839 8.450 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.982 -2.872 11.090 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -10.138 -3.282 10.082 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -10.835 -3.936 11.551 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -11.967 -4.604 8.823 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -10.621 -5.496 9.503 1.00 1.28 H new ATOM 233 N ASN A 378 -10.794 -0.525 10.391 1.00 0.71 N ATOM 234 CA ASN A 378 -10.191 0.708 10.885 1.00 0.61 C ATOM 235 C ASN A 378 -9.902 1.678 9.738 1.00 0.58 C ATOM 236 O ASN A 378 -8.745 1.995 9.460 1.00 0.59 O ATOM 237 CB ASN A 378 -8.904 0.398 11.662 1.00 0.62 C ATOM 238 CG ASN A 378 -7.943 -0.500 10.900 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.004 -1.046 11.480 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.153 -0.645 9.598 1.00 2.14 N ATOM 0 H ASN A 378 -10.580 -0.735 9.416 1.00 0.71 H new ATOM 0 HA ASN A 378 -10.902 1.186 11.559 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.400 1.334 11.905 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.164 -0.079 12.607 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.525 -1.225 9.042 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -8.942 -0.176 9.153 1.00 2.14 H new ATOM 247 N PRO A 379 -10.957 2.159 9.049 1.00 0.62 N ATOM 248 CA PRO A 379 -10.806 3.093 7.927 1.00 0.65 C ATOM 249 C PRO A 379 -9.939 4.295 8.288 1.00 0.61 C ATOM 250 O PRO A 379 -9.120 4.746 7.487 1.00 0.62 O ATOM 251 CB PRO A 379 -12.242 3.536 7.637 1.00 0.77 C ATOM 252 CG PRO A 379 -13.089 2.410 8.119 1.00 0.85 C ATOM 253 CD PRO A 379 -12.373 1.834 9.309 1.00 0.75 C ATOM 0 HA PRO A 379 -10.309 2.630 7.074 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.483 4.463 8.156 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.393 3.718 6.573 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.084 2.760 8.394 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.219 1.658 7.340 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.722 2.278 10.241 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.530 0.758 9.390 1.00 0.75 H new ATOM 261 N ASP A 380 -10.124 4.806 9.502 1.00 0.62 N ATOM 262 CA ASP A 380 -9.359 5.952 9.978 1.00 0.64 C ATOM 263 C ASP A 380 -7.864 5.644 9.987 1.00 0.55 C ATOM 264 O ASP A 380 -7.040 6.512 9.699 1.00 0.55 O ATOM 265 CB ASP A 380 -9.814 6.350 11.383 1.00 0.75 C ATOM 266 CG ASP A 380 -11.280 6.739 11.433 1.00 0.86 C ATOM 267 OD1 ASP A 380 -11.942 6.692 10.374 1.00 1.21 O ATOM 268 OD2 ASP A 380 -11.767 7.089 12.529 1.00 1.20 O ATOM 0 H ASP A 380 -10.799 4.443 10.175 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.538 6.783 9.295 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.639 5.519 12.067 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.208 7.185 11.734 1.00 0.75 H new ATOM 273 N LYS A 381 -7.525 4.404 10.327 1.00 0.51 N ATOM 274 CA LYS A 381 -6.130 3.976 10.382 1.00 0.47 C ATOM 275 C LYS A 381 -5.412 4.248 9.061 1.00 0.39 C ATOM 276 O LYS A 381 -5.900 3.886 7.993 1.00 0.37 O ATOM 277 CB LYS A 381 -6.044 2.490 10.725 1.00 0.50 C ATOM 278 CG LYS A 381 -4.620 1.968 10.755 1.00 0.52 C ATOM 279 CD LYS A 381 -4.557 0.533 11.239 1.00 0.59 C ATOM 280 CE LYS A 381 -3.128 0.025 11.268 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.501 0.042 9.917 1.00 1.66 N ATOM 0 H LYS A 381 -8.198 3.677 10.569 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.636 4.554 11.163 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.508 2.320 11.697 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.618 1.921 9.994 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.187 2.034 9.757 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.015 2.598 11.407 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -4.990 0.464 12.237 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.157 -0.100 10.586 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -2.539 0.640 11.949 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -3.113 -0.991 11.662 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.466 0.055 10.015 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -2.788 -0.807 9.390 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -2.811 0.890 9.401 1.00 1.66 H new ATOM 295 N ILE A 382 -4.246 4.885 9.148 1.00 0.40 N ATOM 296 CA ILE A 382 -3.451 5.203 7.964 1.00 0.35 C ATOM 297 C ILE A 382 -2.525 4.042 7.609 1.00 0.34 C ATOM 298 O ILE A 382 -1.897 3.451 8.487 1.00 0.41 O ATOM 299 CB ILE A 382 -2.604 6.475 8.179 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.494 7.650 8.596 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.826 6.817 6.914 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.560 8.001 7.578 1.00 0.37 C ATOM 0 H ILE A 382 -3.830 5.191 10.028 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.149 5.379 7.145 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.891 6.283 8.981 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -3.975 7.411 9.544 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.867 8.525 8.769 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.234 7.717 7.083 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.164 5.989 6.659 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.523 6.990 6.094 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.150 8.842 7.944 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.087 8.273 6.635 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.212 7.141 7.422 1.00 0.37 H new ATOM 314 N TYR A 383 -2.441 3.718 6.320 1.00 0.30 N ATOM 315 CA TYR A 383 -1.586 2.625 5.869 1.00 0.30 C ATOM 316 C TYR A 383 -0.398 3.159 5.077 1.00 0.28 C ATOM 317 O TYR A 383 -0.521 4.136 4.343 1.00 0.25 O ATOM 318 CB TYR A 383 -2.383 1.643 5.008 1.00 0.32 C ATOM 319 CG TYR A 383 -3.729 1.276 5.592 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.830 2.105 5.413 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.899 0.110 6.326 1.00 0.48 C ATOM 322 CE1 TYR A 383 -6.060 1.781 5.947 1.00 0.48 C ATOM 323 CE2 TYR A 383 -5.128 -0.222 6.864 1.00 0.55 C ATOM 324 CZ TYR A 383 -6.206 0.619 6.670 1.00 0.52 C ATOM 325 OH TYR A 383 -7.432 0.294 7.203 1.00 0.63 O ATOM 0 H TYR A 383 -2.951 4.193 5.575 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.213 2.103 6.750 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.532 2.078 4.020 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.796 0.735 4.871 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.721 3.018 4.846 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -3.057 -0.549 6.479 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.905 2.437 5.798 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -5.245 -1.133 7.432 1.00 0.55 H new ATOM 0 HH TYR A 383 -7.693 -0.601 6.901 1.00 0.63 H new ATOM 335 N PHE A 384 0.753 2.514 5.232 1.00 0.31 N ATOM 336 CA PHE A 384 1.960 2.932 4.528 1.00 0.30 C ATOM 337 C PHE A 384 2.108 2.180 3.208 1.00 0.28 C ATOM 338 O PHE A 384 1.962 0.959 3.159 1.00 0.33 O ATOM 339 CB PHE A 384 3.195 2.706 5.405 1.00 0.40 C ATOM 340 CG PHE A 384 3.169 3.476 6.699 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.191 3.232 7.654 1.00 0.83 C ATOM 342 CD2 PHE A 384 4.127 4.441 6.962 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.171 3.938 8.842 1.00 0.96 C ATOM 344 CE2 PHE A 384 4.111 5.149 8.149 1.00 0.64 C ATOM 345 CZ PHE A 384 3.132 4.897 9.089 1.00 0.74 C ATOM 0 H PHE A 384 0.876 1.702 5.837 1.00 0.31 H new ATOM 0 HA PHE A 384 1.873 3.996 4.309 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.282 1.642 5.627 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.085 2.988 4.843 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.437 2.482 7.466 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.896 4.643 6.231 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.404 3.739 9.576 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.864 5.899 8.341 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.118 5.450 10.017 1.00 0.74 H new ATOM 355 N ILE A 385 2.398 2.918 2.138 1.00 0.26 N ATOM 356 CA ILE A 385 2.564 2.320 0.816 1.00 0.27 C ATOM 357 C ILE A 385 4.004 2.459 0.329 1.00 0.24 C ATOM 358 O ILE A 385 4.534 3.565 0.238 1.00 0.30 O ATOM 359 CB ILE A 385 1.619 2.960 -0.228 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.150 2.729 0.145 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.905 2.405 -1.617 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.295 3.474 1.382 1.00 0.32 C ATOM 0 H ILE A 385 2.523 3.930 2.161 1.00 0.26 H new ATOM 0 HA ILE A 385 2.311 1.265 0.918 1.00 0.27 H new ATOM 0 HB ILE A 385 1.803 4.034 -0.235 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.479 3.030 -0.693 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.012 1.662 0.298 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.231 2.866 -2.339 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.937 2.625 -1.891 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.752 1.326 -1.616 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.345 3.258 1.579 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.306 3.157 2.234 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.168 4.545 1.227 1.00 0.32 H new ATOM 374 N ARG A 386 4.627 1.330 0.009 1.00 0.29 N ATOM 375 CA ARG A 386 6.002 1.328 -0.477 1.00 0.30 C ATOM 376 C ARG A 386 6.024 1.388 -2.002 1.00 0.33 C ATOM 377 O ARG A 386 5.654 0.425 -2.676 1.00 0.42 O ATOM 378 CB ARG A 386 6.724 0.072 0.034 1.00 0.38 C ATOM 379 CG ARG A 386 8.227 0.050 -0.227 1.00 0.50 C ATOM 380 CD ARG A 386 8.553 -0.303 -1.670 1.00 1.02 C ATOM 381 NE ARG A 386 7.945 -1.570 -2.080 1.00 1.40 N ATOM 382 CZ ARG A 386 8.239 -2.747 -1.533 1.00 1.86 C ATOM 383 NH1 ARG A 386 9.132 -2.828 -0.555 1.00 2.42 N ATOM 384 NH2 ARG A 386 7.637 -3.847 -1.967 1.00 2.39 N ATOM 0 H ARG A 386 4.202 0.405 0.077 1.00 0.29 H new ATOM 0 HA ARG A 386 6.522 2.209 -0.099 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.554 -0.017 1.107 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.275 -0.804 -0.434 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.650 1.026 0.011 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.699 -0.673 0.438 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.203 0.495 -2.325 1.00 1.02 H new ATOM 0 HD3 ARG A 386 9.634 -0.365 -1.792 1.00 1.02 H new ATOM 0 HE ARG A 386 7.254 -1.549 -2.830 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.597 -1.985 -0.218 1.00 2.42 H new ATOM 0 HH12 ARG A 386 9.353 -3.733 -0.140 1.00 2.42 H new ATOM 0 HH21 ARG A 386 6.950 -3.790 -2.719 1.00 2.39 H new ATOM 0 HH22 ARG A 386 7.861 -4.750 -1.549 1.00 2.39 H new ATOM 398 N ARG A 387 6.463 2.523 -2.541 1.00 0.41 N ATOM 399 CA ARG A 387 6.535 2.705 -3.988 1.00 0.51 C ATOM 400 C ARG A 387 7.697 1.912 -4.578 1.00 0.49 C ATOM 401 O ARG A 387 8.679 1.634 -3.893 1.00 0.47 O ATOM 402 CB ARG A 387 6.669 4.186 -4.346 1.00 0.63 C ATOM 403 CG ARG A 387 5.487 5.033 -3.902 1.00 0.84 C ATOM 404 CD ARG A 387 5.554 6.435 -4.486 1.00 0.94 C ATOM 405 NE ARG A 387 5.515 6.420 -5.946 1.00 1.32 N ATOM 406 CZ ARG A 387 5.530 7.517 -6.698 1.00 1.79 C ATOM 407 NH1 ARG A 387 5.585 8.714 -6.129 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.488 7.417 -8.019 1.00 2.25 N ATOM 0 H ARG A 387 6.774 3.329 -1.998 1.00 0.41 H new ATOM 0 HA ARG A 387 5.606 2.329 -4.418 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.578 4.580 -3.891 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.787 4.280 -5.426 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.558 4.553 -4.211 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.469 5.092 -2.814 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.721 7.026 -4.107 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.469 6.924 -4.152 1.00 0.94 H new ATOM 0 HE ARG A 387 5.474 5.516 -6.416 1.00 1.32 H new ATOM 0 HH11 ARG A 387 5.616 8.795 -5.113 1.00 2.30 H new ATOM 0 HH12 ARG A 387 5.596 9.554 -6.708 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.444 6.498 -8.460 1.00 2.25 H new ATOM 0 HH22 ARG A 387 5.500 8.259 -8.595 1.00 2.25 H new ATOM 422 N GLU A 388 7.571 1.542 -5.849 1.00 0.64 N ATOM 423 CA GLU A 388 8.603 0.768 -6.532 1.00 0.69 C ATOM 424 C GLU A 388 9.969 1.442 -6.437 1.00 0.61 C ATOM 425 O GLU A 388 10.979 0.775 -6.215 1.00 0.63 O ATOM 426 CB GLU A 388 8.224 0.558 -7.999 1.00 0.88 C ATOM 427 CG GLU A 388 6.907 -0.179 -8.186 1.00 1.58 C ATOM 428 CD GLU A 388 6.544 -0.364 -9.648 1.00 2.20 C ATOM 429 OE1 GLU A 388 7.329 -1.004 -10.378 1.00 2.82 O ATOM 430 OE2 GLU A 388 5.475 0.133 -10.060 1.00 2.65 O ATOM 0 H GLU A 388 6.762 1.766 -6.428 1.00 0.64 H new ATOM 0 HA GLU A 388 8.672 -0.200 -6.035 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.162 1.528 -8.492 1.00 0.88 H new ATOM 0 HB3 GLU A 388 9.018 -0.001 -8.495 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.970 -1.155 -7.705 1.00 1.58 H new ATOM 0 HG3 GLU A 388 6.112 0.373 -7.685 1.00 1.58 H new ATOM 437 N ASP A 389 10.001 2.765 -6.592 1.00 0.65 N ATOM 438 CA ASP A 389 11.257 3.506 -6.509 1.00 0.69 C ATOM 439 C ASP A 389 11.822 3.452 -5.088 1.00 0.64 C ATOM 440 O ASP A 389 12.838 4.076 -4.784 1.00 0.91 O ATOM 441 CB ASP A 389 11.061 4.957 -6.957 1.00 0.81 C ATOM 442 CG ASP A 389 10.024 5.691 -6.134 1.00 0.80 C ATOM 443 OD1 ASP A 389 8.866 5.226 -6.087 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.366 6.736 -5.545 1.00 1.23 O ATOM 0 H ASP A 389 9.179 3.341 -6.774 1.00 0.65 H new ATOM 0 HA ASP A 389 11.975 3.036 -7.181 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.012 5.485 -6.889 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.763 4.971 -8.005 1.00 0.81 H new ATOM 449 N GLY A 390 11.156 2.677 -4.236 1.00 0.55 N ATOM 450 CA GLY A 390 11.586 2.508 -2.862 1.00 0.53 C ATOM 451 C GLY A 390 11.292 3.708 -1.978 1.00 0.55 C ATOM 452 O GLY A 390 12.067 4.019 -1.074 1.00 1.03 O ATOM 0 H GLY A 390 10.313 2.156 -4.480 1.00 0.55 H new ATOM 0 HA2 GLY A 390 11.095 1.630 -2.442 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.658 2.311 -2.848 1.00 0.53 H new ATOM 456 N THR A 391 10.168 4.375 -2.222 1.00 0.57 N ATOM 457 CA THR A 391 9.784 5.531 -1.417 1.00 0.54 C ATOM 458 C THR A 391 8.426 5.317 -0.758 1.00 0.41 C ATOM 459 O THR A 391 7.395 5.289 -1.430 1.00 0.44 O ATOM 460 CB THR A 391 9.751 6.823 -2.250 1.00 0.71 C ATOM 461 OG1 THR A 391 8.882 6.661 -3.377 1.00 0.98 O ATOM 462 CG2 THR A 391 11.150 7.190 -2.721 1.00 0.88 C ATOM 0 H THR A 391 9.511 4.138 -2.965 1.00 0.57 H new ATOM 0 HA THR A 391 10.544 5.639 -0.643 1.00 0.54 H new ATOM 0 HB THR A 391 9.372 7.629 -1.622 1.00 0.71 H new ATOM 0 HG1 THR A 391 9.307 7.039 -4.175 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.107 8.107 -3.309 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.796 7.343 -1.857 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.550 6.383 -3.335 1.00 0.88 H new ATOM 470 N VAL A 392 8.435 5.165 0.562 1.00 0.37 N ATOM 471 CA VAL A 392 7.208 4.948 1.320 1.00 0.33 C ATOM 472 C VAL A 392 6.388 6.231 1.431 1.00 0.32 C ATOM 473 O VAL A 392 6.936 7.317 1.619 1.00 0.41 O ATOM 474 CB VAL A 392 7.512 4.422 2.734 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.225 4.145 3.497 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.379 3.173 2.666 1.00 0.52 C ATOM 0 H VAL A 392 9.281 5.188 1.131 1.00 0.37 H new ATOM 0 HA VAL A 392 6.629 4.201 0.776 1.00 0.33 H new ATOM 0 HB VAL A 392 8.064 5.192 3.272 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.465 3.774 4.493 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.647 5.065 3.582 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.639 3.397 2.963 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.583 2.816 3.676 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.857 2.398 2.106 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.319 3.409 2.168 1.00 0.52 H new ATOM 486 N HIS A 393 5.069 6.090 1.323 1.00 0.29 N ATOM 487 CA HIS A 393 4.157 7.225 1.418 1.00 0.31 C ATOM 488 C HIS A 393 2.807 6.779 1.977 1.00 0.27 C ATOM 489 O HIS A 393 2.280 5.736 1.590 1.00 0.26 O ATOM 490 CB HIS A 393 3.961 7.880 0.047 1.00 0.37 C ATOM 491 CG HIS A 393 5.198 8.528 -0.495 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.833 9.581 0.132 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.919 8.267 -1.610 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.891 9.938 -0.577 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.965 9.157 -1.637 1.00 1.82 N ATOM 0 H HIS A 393 4.606 5.194 1.169 1.00 0.29 H new ATOM 0 HA HIS A 393 4.598 7.957 2.095 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.618 7.125 -0.660 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.173 8.629 0.122 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.711 7.501 -2.343 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.578 10.734 -0.330 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.683 9.206 -2.360 1.00 1.82 H new ATOM 504 N ARG A 394 2.257 7.569 2.896 1.00 0.29 N ATOM 505 CA ARG A 394 0.974 7.250 3.521 1.00 0.28 C ATOM 506 C ARG A 394 -0.138 7.076 2.489 1.00 0.26 C ATOM 507 O ARG A 394 -0.089 7.648 1.400 1.00 0.32 O ATOM 508 CB ARG A 394 0.585 8.333 4.527 1.00 0.35 C ATOM 509 CG ARG A 394 1.555 8.457 5.690 1.00 0.42 C ATOM 510 CD ARG A 394 1.020 9.389 6.765 1.00 0.52 C ATOM 511 NE ARG A 394 0.794 10.743 6.261 1.00 1.34 N ATOM 512 CZ ARG A 394 1.761 11.540 5.812 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.024 11.133 5.816 1.00 2.41 N ATOM 514 NH2 ARG A 394 1.463 12.753 5.363 1.00 2.96 N ATOM 0 H ARG A 394 2.680 8.437 3.226 1.00 0.29 H new ATOM 0 HA ARG A 394 1.097 6.300 4.041 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.524 9.291 4.011 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.410 8.116 4.916 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.738 7.472 6.119 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.513 8.830 5.328 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.085 8.989 7.158 1.00 0.52 H new ATOM 0 HD3 ARG A 394 1.725 9.425 7.595 1.00 0.52 H new ATOM 0 HE ARG A 394 -0.162 11.098 6.253 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.259 10.204 6.165 1.00 2.41 H new ATOM 0 HH12 ARG A 394 3.760 11.749 5.470 1.00 2.41 H new ATOM 0 HH21 ARG A 394 0.494 13.073 5.362 1.00 2.96 H new ATOM 0 HH22 ARG A 394 2.203 13.365 5.019 1.00 2.96 H new ATOM 528 N GLY A 395 -1.138 6.274 2.851 1.00 0.23 N ATOM 529 CA GLY A 395 -2.261 6.016 1.967 1.00 0.25 C ATOM 530 C GLY A 395 -3.351 5.206 2.649 1.00 0.23 C ATOM 531 O GLY A 395 -3.062 4.225 3.336 1.00 0.26 O ATOM 0 H GLY A 395 -1.189 5.795 3.750 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.676 6.963 1.623 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.911 5.481 1.084 1.00 0.25 H new ATOM 535 N GLN A 396 -4.603 5.619 2.471 1.00 0.29 N ATOM 536 CA GLN A 396 -5.732 4.923 3.086 1.00 0.34 C ATOM 537 C GLN A 396 -6.359 3.915 2.124 1.00 0.35 C ATOM 538 O GLN A 396 -6.686 4.251 0.987 1.00 0.46 O ATOM 539 CB GLN A 396 -6.790 5.934 3.534 1.00 0.43 C ATOM 540 CG GLN A 396 -6.290 6.918 4.579 1.00 0.50 C ATOM 541 CD GLN A 396 -7.332 7.947 4.956 1.00 0.64 C ATOM 542 OE1 GLN A 396 -7.918 8.605 4.095 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.550 8.104 6.250 1.00 0.61 N ATOM 0 H GLN A 396 -4.862 6.429 1.908 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.356 4.378 3.952 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.141 6.489 2.664 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.648 5.395 3.936 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.986 6.371 5.471 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.404 7.426 4.199 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.040 7.535 6.926 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.228 8.794 6.573 1.00 0.61 H new ATOM 552 N VAL A 397 -6.539 2.682 2.594 1.00 0.33 N ATOM 553 CA VAL A 397 -7.144 1.635 1.776 1.00 0.33 C ATOM 554 C VAL A 397 -8.661 1.642 1.943 1.00 0.33 C ATOM 555 O VAL A 397 -9.166 1.632 3.066 1.00 0.37 O ATOM 556 CB VAL A 397 -6.605 0.240 2.145 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.031 -0.793 1.115 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.095 0.272 2.296 1.00 0.83 C ATOM 0 H VAL A 397 -6.275 2.385 3.534 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.882 1.845 0.739 1.00 0.33 H new ATOM 0 HB VAL A 397 -7.033 -0.050 3.105 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.639 -1.770 1.396 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -8.119 -0.837 1.072 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.641 -0.513 0.136 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.734 -0.723 2.557 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.642 0.588 1.356 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.823 0.975 3.084 1.00 0.83 H new ATOM 568 N LEU A 398 -9.384 1.671 0.829 1.00 0.36 N ATOM 569 CA LEU A 398 -10.843 1.692 0.875 1.00 0.40 C ATOM 570 C LEU A 398 -11.458 0.504 0.139 1.00 0.41 C ATOM 571 O LEU A 398 -12.455 -0.064 0.586 1.00 0.47 O ATOM 572 CB LEU A 398 -11.370 2.998 0.276 1.00 0.46 C ATOM 573 CG LEU A 398 -10.887 4.274 0.969 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.416 5.504 0.248 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.317 4.284 2.429 1.00 1.45 C ATOM 0 H LEU A 398 -8.988 1.680 -0.111 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.135 1.621 1.923 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.079 3.041 -0.774 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.459 2.978 0.304 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.798 4.295 0.932 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -11.063 6.402 0.754 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -11.059 5.504 -0.782 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.506 5.489 0.254 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.965 5.199 2.906 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.404 4.239 2.488 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.890 3.421 2.940 1.00 1.45 H new ATOM 587 N GLN A 399 -10.878 0.148 -1.004 1.00 0.39 N ATOM 588 CA GLN A 399 -11.399 -0.953 -1.811 1.00 0.43 C ATOM 589 C GLN A 399 -10.317 -1.979 -2.143 1.00 0.38 C ATOM 590 O GLN A 399 -9.145 -1.796 -1.813 1.00 0.35 O ATOM 591 CB GLN A 399 -12.002 -0.408 -3.106 1.00 0.49 C ATOM 592 CG GLN A 399 -13.094 0.626 -2.881 1.00 0.60 C ATOM 593 CD GLN A 399 -13.648 1.176 -4.180 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.185 0.435 -5.003 1.00 2.08 O ATOM 595 NE2 GLN A 399 -13.519 2.484 -4.371 1.00 2.04 N ATOM 0 H GLN A 399 -10.051 0.603 -1.391 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.168 -1.456 -1.224 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.209 0.038 -3.707 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.411 -1.237 -3.683 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.903 0.176 -2.306 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.696 1.446 -2.283 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -13.067 3.061 -3.662 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -13.872 2.912 -5.227 1.00 2.04 H new ATOM 604 N SER A 400 -10.731 -3.058 -2.801 1.00 0.42 N ATOM 605 CA SER A 400 -9.822 -4.129 -3.197 1.00 0.41 C ATOM 606 C SER A 400 -10.494 -5.036 -4.226 1.00 0.47 C ATOM 607 O SER A 400 -11.715 -5.198 -4.209 1.00 0.54 O ATOM 608 CB SER A 400 -9.387 -4.946 -1.980 1.00 0.47 C ATOM 609 OG SER A 400 -10.492 -5.603 -1.384 1.00 0.56 O ATOM 0 H SER A 400 -11.701 -3.214 -3.074 1.00 0.42 H new ATOM 0 HA SER A 400 -8.936 -3.680 -3.645 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.641 -5.682 -2.280 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.912 -4.291 -1.249 1.00 0.47 H new ATOM 0 HG SER A 400 -10.186 -6.120 -0.609 1.00 0.56 H new ATOM 615 N ARG A 401 -9.705 -5.615 -5.132 1.00 0.51 N ATOM 616 CA ARG A 401 -10.264 -6.485 -6.165 1.00 0.60 C ATOM 617 C ARG A 401 -9.191 -7.351 -6.830 1.00 0.73 C ATOM 618 O ARG A 401 -8.124 -6.866 -7.198 1.00 0.86 O ATOM 619 CB ARG A 401 -10.952 -5.637 -7.238 1.00 0.65 C ATOM 620 CG ARG A 401 -9.970 -4.856 -8.099 1.00 0.72 C ATOM 621 CD ARG A 401 -10.670 -4.013 -9.150 1.00 0.91 C ATOM 622 NE ARG A 401 -9.711 -3.411 -10.073 1.00 1.02 N ATOM 623 CZ ARG A 401 -10.049 -2.597 -11.066 1.00 1.25 C ATOM 624 NH1 ARG A 401 -11.320 -2.266 -11.256 1.00 1.55 N ATOM 625 NH2 ARG A 401 -9.112 -2.110 -11.871 1.00 1.43 N ATOM 0 H ARG A 401 -8.692 -5.500 -5.172 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.982 -7.146 -5.680 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.551 -6.286 -7.877 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.639 -4.941 -6.758 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.365 -4.210 -7.462 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.287 -5.550 -8.589 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.374 -4.632 -9.706 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.251 -3.229 -8.663 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.723 -3.629 -9.947 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -12.042 -2.637 -10.638 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.575 -1.640 -12.020 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -8.134 -2.361 -11.726 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -9.370 -1.485 -12.634 1.00 1.43 H new ATOM 639 N THR A 402 -9.505 -8.629 -7.014 1.00 0.82 N ATOM 640 CA THR A 402 -8.595 -9.557 -7.675 1.00 0.99 C ATOM 641 C THR A 402 -8.589 -9.293 -9.174 1.00 1.16 C ATOM 642 O THR A 402 -9.637 -9.030 -9.766 1.00 1.79 O ATOM 643 CB THR A 402 -9.007 -11.021 -7.433 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.374 -11.217 -7.818 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.823 -11.402 -5.975 1.00 1.29 C ATOM 0 H THR A 402 -10.386 -9.047 -6.714 1.00 0.82 H new ATOM 0 HA THR A 402 -7.601 -9.399 -7.256 1.00 0.99 H new ATOM 0 HB THR A 402 -8.366 -11.660 -8.040 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.627 -12.151 -7.662 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.121 -12.440 -5.830 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.776 -11.283 -5.697 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.440 -10.757 -5.350 1.00 1.29 H new ATOM 653 N THR A 403 -7.416 -9.359 -9.787 1.00 1.43 N ATOM 654 CA THR A 403 -7.296 -9.122 -11.219 1.00 1.62 C ATOM 655 C THR A 403 -8.118 -10.154 -11.999 1.00 1.84 C ATOM 656 O THR A 403 -8.838 -10.958 -11.405 1.00 1.85 O ATOM 657 CB THR A 403 -5.822 -9.175 -11.665 1.00 1.77 C ATOM 658 OG1 THR A 403 -4.993 -8.556 -10.674 1.00 1.78 O ATOM 659 CG2 THR A 403 -5.622 -8.453 -12.990 1.00 1.95 C ATOM 0 H THR A 403 -6.536 -9.574 -9.318 1.00 1.43 H new ATOM 0 HA THR A 403 -7.683 -8.125 -11.431 1.00 1.62 H new ATOM 0 HB THR A 403 -5.547 -10.223 -11.788 1.00 1.77 H new ATOM 0 HG1 THR A 403 -4.057 -8.594 -10.961 1.00 1.78 H new ATOM 0 HG21 THR A 403 -4.572 -8.507 -13.279 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.235 -8.925 -13.758 1.00 1.95 H new ATOM 0 HG23 THR A 403 -5.915 -7.409 -12.883 1.00 1.95 H new ATOM 667 N GLU A 404 -8.018 -10.125 -13.325 1.00 2.08 N ATOM 668 CA GLU A 404 -8.762 -11.052 -14.174 1.00 2.34 C ATOM 669 C GLU A 404 -8.588 -12.498 -13.720 1.00 2.30 C ATOM 670 O GLU A 404 -9.544 -13.276 -13.730 1.00 2.37 O ATOM 671 CB GLU A 404 -8.330 -10.910 -15.635 1.00 2.72 C ATOM 672 CG GLU A 404 -8.803 -9.622 -16.294 1.00 2.91 C ATOM 673 CD GLU A 404 -8.232 -8.380 -15.638 1.00 3.42 C ATOM 674 OE1 GLU A 404 -6.994 -8.219 -15.649 1.00 3.79 O ATOM 675 OE2 GLU A 404 -9.024 -7.570 -15.112 1.00 3.87 O ATOM 0 H GLU A 404 -7.428 -9.468 -13.836 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.818 -10.795 -14.085 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.242 -10.956 -15.688 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -8.713 -11.759 -16.201 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -8.521 -9.633 -17.347 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -9.892 -9.579 -16.256 1.00 2.91 H new ATOM 682 N ASN A 405 -7.370 -12.859 -13.327 1.00 2.26 N ATOM 683 CA ASN A 405 -7.087 -14.219 -12.877 1.00 2.30 C ATOM 684 C ASN A 405 -7.994 -14.604 -11.712 1.00 2.07 C ATOM 685 O ASN A 405 -8.619 -15.665 -11.724 1.00 2.40 O ATOM 686 CB ASN A 405 -5.620 -14.352 -12.465 1.00 2.43 C ATOM 687 CG ASN A 405 -5.247 -15.781 -12.121 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.344 -16.678 -12.959 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.818 -16.002 -10.884 1.00 2.73 N ATOM 0 H ASN A 405 -6.566 -12.232 -13.311 1.00 2.26 H new ATOM 0 HA ASN A 405 -7.283 -14.897 -13.707 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -4.983 -13.998 -13.276 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.427 -13.711 -11.605 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -4.554 -16.944 -10.597 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -4.753 -15.229 -10.221 1.00 2.73 H new ATOM 696 N ALA A 406 -8.065 -13.731 -10.711 1.00 1.82 N ATOM 697 CA ALA A 406 -8.901 -13.969 -9.538 1.00 1.67 C ATOM 698 C ALA A 406 -8.581 -15.313 -8.887 1.00 1.85 C ATOM 699 O ALA A 406 -9.464 -16.149 -8.697 1.00 2.18 O ATOM 700 CB ALA A 406 -10.371 -13.893 -9.914 1.00 1.72 C ATOM 0 H ALA A 406 -7.552 -12.850 -10.689 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.684 -13.189 -8.808 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.982 -14.072 -9.030 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.593 -12.904 -10.314 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -10.593 -14.648 -10.668 1.00 1.72 H new ATOM 706 N ALA A 407 -7.314 -15.507 -8.547 1.00 1.91 N ATOM 707 CA ALA A 407 -6.865 -16.741 -7.914 1.00 2.19 C ATOM 708 C ALA A 407 -5.555 -16.506 -7.178 1.00 2.37 C ATOM 709 O ALA A 407 -4.902 -17.445 -6.720 1.00 2.77 O ATOM 710 CB ALA A 407 -6.698 -17.834 -8.955 1.00 2.38 C ATOM 0 H ALA A 407 -6.574 -14.821 -8.700 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.617 -17.060 -7.193 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.362 -18.750 -8.470 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.652 -18.014 -9.450 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -5.959 -17.523 -9.694 1.00 2.38 H new ATOM 716 N ALA A 408 -5.189 -15.235 -7.075 1.00 2.15 N ATOM 717 CA ALA A 408 -3.965 -14.817 -6.406 1.00 2.35 C ATOM 718 C ALA A 408 -3.821 -13.296 -6.470 1.00 2.05 C ATOM 719 O ALA A 408 -3.561 -12.650 -5.454 1.00 1.99 O ATOM 720 CB ALA A 408 -2.748 -15.496 -7.023 1.00 2.76 C ATOM 0 H ALA A 408 -5.735 -14.462 -7.455 1.00 2.15 H new ATOM 0 HA ALA A 408 -4.025 -15.119 -5.361 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.847 -15.167 -6.506 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.847 -16.577 -6.927 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.679 -15.230 -8.078 1.00 2.76 H new ATOM 726 N PRO A 409 -3.993 -12.695 -7.670 1.00 1.99 N ATOM 727 CA PRO A 409 -3.888 -11.246 -7.848 1.00 1.80 C ATOM 728 C PRO A 409 -4.975 -10.490 -7.109 1.00 1.41 C ATOM 729 O PRO A 409 -6.105 -10.956 -7.007 1.00 1.86 O ATOM 730 CB PRO A 409 -4.026 -11.040 -9.363 1.00 2.10 C ATOM 731 CG PRO A 409 -3.821 -12.387 -9.965 1.00 2.49 C ATOM 732 CD PRO A 409 -4.307 -13.367 -8.942 1.00 2.27 C ATOM 0 HA PRO A 409 -2.950 -10.865 -7.445 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.008 -10.641 -9.618 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.287 -10.328 -9.732 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.376 -12.487 -10.898 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -2.770 -12.555 -10.200 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.375 -13.562 -9.044 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.798 -14.327 -9.028 1.00 2.27 H new ATOM 740 N ASP A 410 -4.617 -9.320 -6.596 1.00 0.92 N ATOM 741 CA ASP A 410 -5.555 -8.484 -5.863 1.00 0.79 C ATOM 742 C ASP A 410 -4.960 -7.102 -5.616 1.00 0.68 C ATOM 743 O ASP A 410 -3.830 -6.972 -5.143 1.00 0.93 O ATOM 744 CB ASP A 410 -5.945 -9.151 -4.539 1.00 1.18 C ATOM 745 CG ASP A 410 -4.745 -9.528 -3.690 1.00 1.62 C ATOM 746 OD1 ASP A 410 -4.017 -8.611 -3.257 1.00 2.14 O ATOM 747 OD2 ASP A 410 -4.533 -10.736 -3.460 1.00 1.99 O ATOM 0 H ASP A 410 -3.679 -8.928 -6.675 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.456 -8.365 -6.465 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.586 -8.475 -3.973 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.531 -10.046 -4.748 1.00 1.18 H new ATOM 752 N GLU A 411 -5.723 -6.072 -5.956 1.00 0.54 N ATOM 753 CA GLU A 411 -5.276 -4.698 -5.786 1.00 0.45 C ATOM 754 C GLU A 411 -6.149 -3.967 -4.778 1.00 0.40 C ATOM 755 O GLU A 411 -7.373 -4.057 -4.826 1.00 0.42 O ATOM 756 CB GLU A 411 -5.310 -3.961 -7.124 1.00 0.49 C ATOM 757 CG GLU A 411 -4.415 -4.580 -8.184 1.00 0.58 C ATOM 758 CD GLU A 411 -4.458 -3.825 -9.498 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.553 -3.723 -10.089 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.395 -3.335 -9.936 1.00 2.08 O ATOM 0 H GLU A 411 -6.658 -6.164 -6.353 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.252 -4.719 -5.412 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.336 -3.942 -7.493 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -5.009 -2.925 -6.966 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.389 -4.606 -7.818 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.719 -5.613 -8.353 1.00 0.58 H new ATOM 767 N TYR A 412 -5.514 -3.237 -3.869 1.00 0.38 N ATOM 768 CA TYR A 412 -6.241 -2.487 -2.855 1.00 0.35 C ATOM 769 C TYR A 412 -6.150 -0.991 -3.126 1.00 0.33 C ATOM 770 O TYR A 412 -5.056 -0.432 -3.215 1.00 0.34 O ATOM 771 CB TYR A 412 -5.695 -2.795 -1.456 1.00 0.39 C ATOM 772 CG TYR A 412 -5.879 -4.235 -1.015 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.403 -5.291 -1.784 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.529 -4.534 0.177 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.569 -6.602 -1.377 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.700 -5.842 0.590 1.00 0.61 C ATOM 777 CZ TYR A 412 -6.219 -6.872 -0.191 1.00 0.62 C ATOM 778 OH TYR A 412 -6.386 -8.175 0.216 1.00 0.72 O ATOM 0 H TYR A 412 -4.499 -3.149 -3.814 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.287 -2.791 -2.899 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.632 -2.553 -1.433 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.186 -2.141 -0.735 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.895 -5.084 -2.714 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.907 -3.730 0.791 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -5.191 -7.411 -1.985 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -7.207 -6.056 1.519 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.862 -8.192 1.072 1.00 0.72 H new ATOM 788 N TYR A 413 -7.306 -0.348 -3.249 1.00 0.33 N ATOM 789 CA TYR A 413 -7.365 1.086 -3.501 1.00 0.32 C ATOM 790 C TYR A 413 -6.601 1.842 -2.421 1.00 0.32 C ATOM 791 O TYR A 413 -6.617 1.450 -1.255 1.00 0.40 O ATOM 792 CB TYR A 413 -8.819 1.556 -3.536 1.00 0.36 C ATOM 793 CG TYR A 413 -8.985 3.017 -3.896 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.280 3.580 -4.955 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.851 3.834 -3.180 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.433 4.912 -5.286 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.009 5.167 -3.506 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.299 5.701 -4.559 1.00 0.46 C ATOM 799 OH TYR A 413 -9.454 7.029 -4.886 1.00 0.51 O ATOM 0 H TYR A 413 -8.218 -0.800 -3.178 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.904 1.289 -4.468 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.369 0.950 -4.256 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.271 1.379 -2.560 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.602 2.965 -5.528 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.410 3.420 -2.354 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.877 5.334 -6.110 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.686 5.788 -2.938 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.101 7.443 -4.277 1.00 0.51 H new ATOM 809 N VAL A 414 -5.923 2.916 -2.811 1.00 0.33 N ATOM 810 CA VAL A 414 -5.148 3.701 -1.857 1.00 0.33 C ATOM 811 C VAL A 414 -5.345 5.199 -2.063 1.00 0.29 C ATOM 812 O VAL A 414 -5.340 5.693 -3.191 1.00 0.38 O ATOM 813 CB VAL A 414 -3.645 3.383 -1.957 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.878 4.094 -0.853 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.405 1.882 -1.899 1.00 1.15 C ATOM 0 H VAL A 414 -5.894 3.260 -3.771 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.514 3.426 -0.868 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.281 3.746 -2.918 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.817 3.859 -0.938 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.020 5.171 -0.947 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.247 3.763 0.118 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.336 1.681 -1.971 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.785 1.489 -0.956 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.922 1.399 -2.728 1.00 1.15 H new ATOM 825 N HIS A 415 -5.504 5.916 -0.955 1.00 0.33 N ATOM 826 CA HIS A 415 -5.688 7.361 -0.986 1.00 0.32 C ATOM 827 C HIS A 415 -4.533 8.052 -0.266 1.00 0.32 C ATOM 828 O HIS A 415 -4.586 8.270 0.945 1.00 0.34 O ATOM 829 CB HIS A 415 -7.020 7.744 -0.337 1.00 0.37 C ATOM 830 CG HIS A 415 -7.258 9.222 -0.281 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.332 10.016 -1.406 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.435 10.051 0.774 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.542 11.269 -1.044 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.610 11.317 0.274 1.00 0.62 N ATOM 0 H HIS A 415 -5.509 5.515 -0.017 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.702 7.688 -2.026 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.833 7.275 -0.891 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.050 7.341 0.675 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -7.239 9.687 -2.367 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.438 9.769 1.816 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.641 12.111 -1.713 1.00 0.60 H new ATOM 843 N TYR A 416 -3.487 8.384 -1.016 1.00 0.37 N ATOM 844 CA TYR A 416 -2.317 9.038 -0.443 1.00 0.40 C ATOM 845 C TYR A 416 -2.701 10.367 0.196 1.00 0.45 C ATOM 846 O TYR A 416 -3.140 11.293 -0.485 1.00 0.57 O ATOM 847 CB TYR A 416 -1.241 9.255 -1.514 1.00 0.46 C ATOM 848 CG TYR A 416 -0.710 7.968 -2.117 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.541 7.117 -2.837 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.623 7.607 -1.968 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.059 5.946 -3.389 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.113 6.436 -2.518 1.00 0.54 C ATOM 853 CZ TYR A 416 0.268 5.610 -3.228 1.00 0.57 C ATOM 854 OH TYR A 416 0.751 4.444 -3.777 1.00 0.65 O ATOM 0 H TYR A 416 -3.426 8.211 -2.019 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.910 8.387 0.331 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.653 9.875 -2.310 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.411 9.809 -1.075 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.581 7.376 -2.967 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.288 8.252 -1.413 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.719 5.296 -3.944 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.152 6.170 -2.392 1.00 0.54 H new ATOM 0 HH TYR A 416 1.466 4.654 -4.414 1.00 0.65 H new ATOM 864 N VAL A 417 -2.533 10.451 1.514 1.00 0.45 N ATOM 865 CA VAL A 417 -2.864 11.665 2.249 1.00 0.55 C ATOM 866 C VAL A 417 -1.983 12.826 1.810 1.00 0.66 C ATOM 867 O VAL A 417 -0.762 12.700 1.738 1.00 1.34 O ATOM 868 CB VAL A 417 -2.717 11.462 3.768 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.054 12.741 4.518 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.602 10.319 4.236 1.00 1.01 C ATOM 0 H VAL A 417 -2.170 9.693 2.092 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.905 11.898 2.025 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.679 11.207 3.982 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -2.943 12.574 5.589 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.379 13.536 4.203 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.082 13.030 4.300 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.488 10.187 5.312 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.643 10.548 4.007 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.311 9.401 3.725 1.00 1.01 H new ATOM 880 N GLY A 418 -2.616 13.956 1.520 1.00 0.71 N ATOM 881 CA GLY A 418 -1.882 15.132 1.088 1.00 0.82 C ATOM 882 C GLY A 418 -1.483 15.065 -0.375 1.00 0.72 C ATOM 883 O GLY A 418 -1.649 16.036 -1.113 1.00 0.76 O ATOM 0 H GLY A 418 -3.627 14.080 1.576 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.494 16.019 1.254 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.987 15.243 1.700 1.00 0.82 H new ATOM 887 N LEU A 419 -0.958 13.916 -0.797 1.00 0.66 N ATOM 888 CA LEU A 419 -0.538 13.727 -2.181 1.00 0.60 C ATOM 889 C LEU A 419 -1.716 13.876 -3.138 1.00 0.59 C ATOM 890 O LEU A 419 -2.839 13.478 -2.827 1.00 0.76 O ATOM 891 CB LEU A 419 0.115 12.353 -2.370 1.00 0.58 C ATOM 892 CG LEU A 419 1.500 12.187 -1.733 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.411 12.215 -0.216 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.148 10.895 -2.206 1.00 1.40 C ATOM 0 H LEU A 419 -0.814 13.103 -0.199 1.00 0.66 H new ATOM 0 HA LEU A 419 0.195 14.500 -2.410 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.549 11.594 -1.956 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.199 12.154 -3.438 1.00 0.58 H new ATOM 0 HG LEU A 419 2.121 13.025 -2.048 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.407 12.095 0.209 1.00 1.60 H new ATOM 0 HD12 LEU A 419 0.991 13.168 0.106 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.770 11.402 0.126 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.130 10.791 -1.746 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.522 10.049 -1.922 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.256 10.918 -3.290 1.00 1.40 H new ATOM 906 N ASN A 420 -1.447 14.459 -4.303 1.00 0.61 N ATOM 907 CA ASN A 420 -2.473 14.674 -5.320 1.00 0.63 C ATOM 908 C ASN A 420 -3.155 13.363 -5.707 1.00 0.56 C ATOM 909 O ASN A 420 -2.627 12.278 -5.460 1.00 0.56 O ATOM 910 CB ASN A 420 -1.858 15.332 -6.557 1.00 0.75 C ATOM 911 CG ASN A 420 -2.898 15.706 -7.593 1.00 1.57 C ATOM 912 OD1 ASN A 420 -3.832 16.458 -7.309 1.00 2.53 O ATOM 913 ND2 ASN A 420 -2.739 15.188 -8.805 1.00 1.98 N ATOM 0 H ASN A 420 -0.520 14.793 -4.568 1.00 0.61 H new ATOM 0 HA ASN A 420 -3.230 15.336 -4.900 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -1.312 16.226 -6.255 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.133 14.652 -7.004 1.00 0.75 H new ATOM 0 HD21 ASN A 420 -3.405 15.408 -9.545 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -1.951 14.570 -8.996 1.00 1.98 H new ATOM 920 N ARG A 421 -4.332 13.475 -6.318 1.00 0.62 N ATOM 921 CA ARG A 421 -5.097 12.308 -6.746 1.00 0.67 C ATOM 922 C ARG A 421 -4.301 11.475 -7.742 1.00 0.66 C ATOM 923 O ARG A 421 -4.471 10.260 -7.830 1.00 0.69 O ATOM 924 CB ARG A 421 -6.424 12.741 -7.371 1.00 0.87 C ATOM 925 CG ARG A 421 -7.362 13.427 -6.393 1.00 1.09 C ATOM 926 CD ARG A 421 -8.641 13.887 -7.077 1.00 1.51 C ATOM 927 NE ARG A 421 -9.341 12.784 -7.735 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.858 11.743 -7.088 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.775 11.666 -5.766 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.470 10.779 -7.765 1.00 3.98 N ATOM 0 H ARG A 421 -4.778 14.368 -6.528 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.302 11.696 -5.867 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.221 13.417 -8.202 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.923 11.866 -7.787 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -7.608 12.742 -5.582 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -6.859 14.284 -5.945 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -9.300 14.346 -6.340 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.402 14.654 -7.813 1.00 1.51 H new ATOM 0 HE ARG A 421 -9.438 12.815 -8.750 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -9.313 12.408 -5.240 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -10.173 10.865 -5.276 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -10.544 10.837 -8.781 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -10.867 9.981 -7.269 1.00 3.98 H new ATOM 944 N ARG A 422 -3.431 12.145 -8.488 1.00 0.71 N ATOM 945 CA ARG A 422 -2.600 11.491 -9.478 1.00 0.83 C ATOM 946 C ARG A 422 -1.826 10.328 -8.870 1.00 0.72 C ATOM 947 O ARG A 422 -1.675 9.276 -9.493 1.00 0.77 O ATOM 948 CB ARG A 422 -1.646 12.518 -10.083 1.00 1.01 C ATOM 949 CG ARG A 422 -0.464 11.911 -10.801 1.00 1.19 C ATOM 950 CD ARG A 422 -0.896 11.052 -11.979 1.00 1.49 C ATOM 951 NE ARG A 422 0.247 10.508 -12.714 1.00 2.09 N ATOM 952 CZ ARG A 422 1.034 11.236 -13.503 1.00 2.79 C ATOM 953 NH1 ARG A 422 0.762 12.515 -13.726 1.00 3.07 N ATOM 954 NH2 ARG A 422 2.081 10.676 -14.091 1.00 3.71 N ATOM 0 H ARG A 422 -3.286 13.152 -8.421 1.00 0.71 H new ATOM 0 HA ARG A 422 -3.238 11.080 -10.260 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.199 13.145 -10.782 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -1.280 13.170 -9.290 1.00 1.01 H new ATOM 0 HG2 ARG A 422 0.194 12.705 -11.153 1.00 1.19 H new ATOM 0 HG3 ARG A 422 0.113 11.305 -10.102 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.519 10.232 -11.620 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -1.511 11.647 -12.655 1.00 1.49 H new ATOM 0 HE ARG A 422 0.452 9.514 -12.616 1.00 2.09 H new ATOM 0 HH11 ARG A 422 -0.054 12.946 -13.292 1.00 3.07 H new ATOM 0 HH12 ARG A 422 1.369 13.067 -14.332 1.00 3.07 H new ATOM 0 HH21 ARG A 422 2.283 9.688 -13.939 1.00 3.71 H new ATOM 0 HH22 ARG A 422 2.685 11.233 -14.696 1.00 3.71 H new ATOM 968 N LEU A 423 -1.344 10.519 -7.651 1.00 0.65 N ATOM 969 CA LEU A 423 -0.594 9.480 -6.961 1.00 0.62 C ATOM 970 C LEU A 423 -1.512 8.326 -6.573 1.00 0.52 C ATOM 971 O LEU A 423 -1.110 7.162 -6.597 1.00 0.53 O ATOM 972 CB LEU A 423 0.093 10.042 -5.712 1.00 0.69 C ATOM 973 CG LEU A 423 1.084 11.190 -5.950 1.00 0.89 C ATOM 974 CD1 LEU A 423 2.023 10.867 -7.102 1.00 1.31 C ATOM 975 CD2 LEU A 423 0.352 12.499 -6.200 1.00 1.49 C ATOM 0 H LEU A 423 -1.458 11.382 -7.120 1.00 0.65 H new ATOM 0 HA LEU A 423 0.172 9.109 -7.643 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.677 10.390 -5.023 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.622 9.229 -5.215 1.00 0.69 H new ATOM 0 HG LEU A 423 1.684 11.307 -5.047 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.715 11.696 -7.251 1.00 1.31 H new ATOM 0 HD12 LEU A 423 2.585 9.962 -6.871 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.443 10.711 -8.012 1.00 1.31 H new ATOM 0 HD21 LEU A 423 1.077 13.296 -6.366 1.00 1.49 H new ATOM 0 HD22 LEU A 423 -0.283 12.398 -7.080 1.00 1.49 H new ATOM 0 HD23 LEU A 423 -0.263 12.743 -5.334 1.00 1.49 H new ATOM 987 N ASP A 424 -2.747 8.663 -6.215 1.00 0.49 N ATOM 988 CA ASP A 424 -3.736 7.667 -5.818 1.00 0.50 C ATOM 989 C ASP A 424 -4.007 6.681 -6.950 1.00 0.45 C ATOM 990 O ASP A 424 -4.115 7.069 -8.114 1.00 0.49 O ATOM 991 CB ASP A 424 -5.040 8.354 -5.405 1.00 0.66 C ATOM 992 CG ASP A 424 -4.850 9.312 -4.243 1.00 0.81 C ATOM 993 OD1 ASP A 424 -3.710 9.421 -3.745 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.840 9.955 -3.833 1.00 1.20 O ATOM 0 H ASP A 424 -3.088 9.624 -6.192 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.335 7.113 -4.969 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.446 8.898 -6.258 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.775 7.597 -5.131 1.00 0.66 H new ATOM 999 N GLY A 425 -4.119 5.403 -6.599 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.380 4.378 -7.593 1.00 0.50 C ATOM 1001 C GLY A 425 -4.632 3.018 -6.971 1.00 0.45 C ATOM 1002 O GLY A 425 -5.332 2.911 -5.963 1.00 0.70 O ATOM 0 H GLY A 425 -4.033 5.059 -5.643 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.245 4.667 -8.190 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.531 4.311 -8.273 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.061 1.977 -7.572 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.229 0.618 -7.069 1.00 0.44 C ATOM 1008 C TRP A 426 -2.877 -0.075 -6.908 1.00 0.45 C ATOM 1009 O TRP A 426 -2.035 -0.031 -7.804 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.124 -0.195 -8.010 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.519 0.343 -8.132 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -6.899 1.525 -8.700 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.719 -0.282 -7.665 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.264 1.670 -8.620 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.789 0.574 -7.988 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.993 -1.484 -7.008 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.111 0.264 -7.675 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.305 -1.789 -6.697 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.349 -0.918 -7.031 1.00 0.59 C ATOM 0 H TRP A 426 -3.479 2.049 -8.407 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.706 0.678 -6.091 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.667 -0.221 -8.999 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.171 -1.224 -7.653 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.226 2.242 -9.147 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.798 2.464 -8.973 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.194 -2.163 -6.748 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.919 0.934 -7.932 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.528 -2.715 -6.188 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.363 -1.186 -6.775 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.680 -0.713 -5.757 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.435 -1.419 -5.469 1.00 0.46 C ATOM 1032 C VAL A 427 -1.678 -2.917 -5.319 1.00 0.51 C ATOM 1033 O VAL A 427 -2.759 -3.339 -4.912 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.770 -0.885 -4.188 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.426 0.590 -4.333 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.671 -1.111 -2.987 1.00 0.85 C ATOM 0 H VAL A 427 -3.369 -0.755 -5.006 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.768 -1.244 -6.313 1.00 0.46 H new ATOM 0 HB VAL A 427 0.158 -1.435 -4.029 1.00 0.64 H new ATOM 0 HG11 VAL A 427 0.043 0.946 -3.416 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.262 0.723 -5.168 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.337 1.159 -4.520 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.185 -0.727 -2.090 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.616 -0.590 -3.138 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.859 -2.178 -2.869 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.670 -3.718 -5.659 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.802 -5.163 -5.563 1.00 0.65 C ATOM 1048 C GLY A 428 -0.752 -5.688 -4.135 1.00 0.79 C ATOM 1049 O GLY A 428 -0.281 -6.801 -3.905 1.00 1.72 O ATOM 0 H GLY A 428 0.235 -3.393 -5.999 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.745 -5.464 -6.019 1.00 0.65 H new ATOM 0 HA3 GLY A 428 -0.005 -5.631 -6.141 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.259 -4.895 -3.185 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.294 -5.279 -1.768 1.00 0.54 C ATOM 1055 C ARG A 429 0.093 -5.268 -1.118 1.00 0.49 C ATOM 1056 O ARG A 429 0.255 -4.759 -0.009 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.938 -6.664 -1.605 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.826 -7.240 -0.201 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.475 -6.334 0.837 1.00 0.85 C ATOM 1060 NE ARG A 429 -2.340 -6.864 2.194 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.192 -6.904 2.870 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -0.091 -6.375 2.354 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.154 -7.451 4.077 1.00 1.65 N ATOM 0 H ARG A 429 -1.655 -3.974 -3.374 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.897 -4.530 -1.254 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.992 -6.597 -1.876 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.472 -7.355 -2.308 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -2.299 -8.222 -0.172 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.775 -7.385 0.049 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -2.020 -5.344 0.788 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.532 -6.211 0.600 1.00 0.85 H new ATOM 0 HE ARG A 429 -3.177 -7.226 2.651 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -0.119 -5.934 1.435 1.00 1.73 H new ATOM 0 HH12 ARG A 429 0.784 -6.409 2.876 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -2.003 -7.841 4.487 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -0.276 -7.482 4.595 1.00 1.65 H new ATOM 1077 N HIS A 430 1.083 -5.837 -1.796 1.00 0.49 N ATOM 1078 CA HIS A 430 2.442 -5.899 -1.264 1.00 0.53 C ATOM 1079 C HIS A 430 2.965 -4.515 -0.878 1.00 0.47 C ATOM 1080 O HIS A 430 3.879 -4.398 -0.060 1.00 0.49 O ATOM 1081 CB HIS A 430 3.381 -6.567 -2.276 1.00 0.65 C ATOM 1082 CG HIS A 430 3.308 -5.986 -3.656 1.00 0.77 C ATOM 1083 ND1 HIS A 430 3.655 -4.685 -3.946 1.00 1.20 N ATOM 1084 CD2 HIS A 430 2.934 -6.546 -4.832 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.496 -4.468 -5.241 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.061 -5.580 -5.799 1.00 1.46 N ATOM 0 H HIS A 430 0.971 -6.263 -2.716 1.00 0.49 H new ATOM 0 HA HIS A 430 2.414 -6.501 -0.356 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.406 -6.486 -1.913 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.145 -7.630 -2.328 1.00 0.65 H new ATOM 0 HD2 HIS A 430 2.599 -7.562 -4.981 1.00 1.47 H new ATOM 0 HE1 HIS A 430 3.690 -3.538 -5.754 1.00 1.31 H new ATOM 0 HE2 HIS A 430 2.852 -5.703 -6.790 1.00 1.46 H new ATOM 1095 N ARG A 431 2.391 -3.476 -1.470 1.00 0.43 N ATOM 1096 CA ARG A 431 2.811 -2.105 -1.189 1.00 0.41 C ATOM 1097 C ARG A 431 2.224 -1.576 0.122 1.00 0.37 C ATOM 1098 O ARG A 431 2.849 -0.762 0.798 1.00 0.57 O ATOM 1099 CB ARG A 431 2.430 -1.189 -2.350 1.00 0.44 C ATOM 1100 CG ARG A 431 3.133 -1.556 -3.645 1.00 0.53 C ATOM 1101 CD ARG A 431 2.775 -0.607 -4.775 1.00 0.64 C ATOM 1102 NE ARG A 431 3.146 0.772 -4.469 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.001 1.779 -5.324 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.511 1.561 -6.537 1.00 2.55 N ATOM 1105 NH2 ARG A 431 3.351 3.007 -4.968 1.00 2.84 N ATOM 0 H ARG A 431 1.633 -3.554 -2.148 1.00 0.43 H new ATOM 0 HA ARG A 431 3.895 -2.113 -1.076 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.352 -1.233 -2.502 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.673 -0.159 -2.089 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.212 -1.543 -3.488 1.00 0.53 H new ATOM 0 HG3 ARG A 431 2.864 -2.574 -3.928 1.00 0.53 H new ATOM 0 HD2 ARG A 431 3.279 -0.924 -5.688 1.00 0.64 H new ATOM 0 HD3 ARG A 431 1.703 -0.660 -4.967 1.00 0.64 H new ATOM 0 HE ARG A 431 3.538 0.973 -3.549 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.244 0.617 -6.817 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.401 2.337 -7.190 1.00 2.55 H new ATOM 0 HH21 ARG A 431 3.732 3.179 -4.038 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.240 3.780 -5.625 1.00 2.84 H new ATOM 1119 N ILE A 432 1.024 -2.029 0.479 1.00 0.39 N ATOM 1120 CA ILE A 432 0.382 -1.571 1.711 1.00 0.36 C ATOM 1121 C ILE A 432 0.801 -2.423 2.905 1.00 0.38 C ATOM 1122 O ILE A 432 0.869 -3.649 2.813 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.158 -1.590 1.592 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.601 -0.802 0.360 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.791 -1.014 2.850 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -3.072 -0.957 0.038 1.00 0.46 C ATOM 0 H ILE A 432 0.481 -2.705 -0.059 1.00 0.39 H new ATOM 0 HA ILE A 432 0.711 -0.544 1.870 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.489 -2.622 1.481 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.381 0.254 0.516 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -1.013 -1.126 -0.499 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.876 -1.033 2.753 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.493 -1.610 3.713 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.457 0.015 2.987 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.314 -0.370 -0.848 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.294 -2.007 -0.151 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.668 -0.605 0.880 1.00 0.46 H new ATOM 1138 N SER A 433 1.085 -1.759 4.025 1.00 0.34 N ATOM 1139 CA SER A 433 1.505 -2.445 5.244 1.00 0.38 C ATOM 1140 C SER A 433 1.263 -1.572 6.472 1.00 0.36 C ATOM 1141 O SER A 433 1.468 -0.358 6.436 1.00 0.34 O ATOM 1142 CB SER A 433 2.985 -2.823 5.159 1.00 0.41 C ATOM 1143 OG SER A 433 3.227 -3.706 4.079 1.00 0.53 O ATOM 0 H SER A 433 1.031 -0.744 4.112 1.00 0.34 H new ATOM 0 HA SER A 433 0.910 -3.353 5.342 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.587 -1.922 5.037 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.298 -3.292 6.092 1.00 0.41 H new ATOM 0 HG SER A 433 2.374 -4.051 3.741 1.00 0.53 H new ATOM 1149 N ASP A 434 0.817 -2.201 7.556 1.00 0.43 N ATOM 1150 CA ASP A 434 0.534 -1.492 8.801 1.00 0.48 C ATOM 1151 C ASP A 434 1.813 -1.098 9.542 1.00 0.48 C ATOM 1152 O ASP A 434 1.771 -0.780 10.731 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.352 -2.349 9.710 1.00 0.60 C ATOM 1154 CG ASP A 434 0.285 -3.679 10.069 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.413 -3.941 9.599 1.00 1.12 O ATOM 1156 OD2 ASP A 434 -0.339 -4.459 10.821 1.00 1.35 O ATOM 0 H ASP A 434 0.643 -3.205 7.597 1.00 0.43 H new ATOM 0 HA ASP A 434 0.008 -0.574 8.538 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.568 -1.797 10.624 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.306 -2.530 9.214 1.00 0.60 H new ATOM 1161 N ASN A 435 2.947 -1.119 8.845 1.00 0.43 N ATOM 1162 CA ASN A 435 4.221 -0.759 9.464 1.00 0.47 C ATOM 1163 C ASN A 435 5.227 -0.279 8.419 1.00 0.39 C ATOM 1164 O ASN A 435 5.412 -0.912 7.380 1.00 0.38 O ATOM 1165 CB ASN A 435 4.789 -1.952 10.235 1.00 0.59 C ATOM 1166 CG ASN A 435 6.041 -1.599 11.012 1.00 1.26 C ATOM 1167 OD1 ASN A 435 6.032 -0.691 11.844 1.00 2.16 O ATOM 1168 ND2 ASN A 435 7.124 -2.319 10.751 1.00 1.81 N ATOM 0 H ASN A 435 3.011 -1.379 7.861 1.00 0.43 H new ATOM 0 HA ASN A 435 4.039 0.061 10.159 1.00 0.47 H new ATOM 0 HB2 ASN A 435 4.033 -2.329 10.923 1.00 0.59 H new ATOM 0 HB3 ASN A 435 5.014 -2.758 9.536 1.00 0.59 H new ATOM 0 HD21 ASN A 435 7.994 -2.130 11.248 1.00 1.81 H new ATOM 0 HD22 ASN A 435 7.086 -3.062 10.053 1.00 1.81 H new ATOM 1175 N ALA A 436 5.867 0.853 8.706 1.00 0.49 N ATOM 1176 CA ALA A 436 6.848 1.442 7.799 1.00 0.55 C ATOM 1177 C ALA A 436 8.162 0.664 7.787 1.00 0.55 C ATOM 1178 O ALA A 436 8.766 0.474 6.731 1.00 0.54 O ATOM 1179 CB ALA A 436 7.103 2.893 8.180 1.00 0.75 C ATOM 0 H ALA A 436 5.722 1.383 9.565 1.00 0.49 H new ATOM 0 HA ALA A 436 6.433 1.395 6.792 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.836 3.325 7.498 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.172 3.455 8.115 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.484 2.940 9.200 1.00 0.75 H new ATOM 1185 N ASP A 437 8.608 0.233 8.965 1.00 0.65 N ATOM 1186 CA ASP A 437 9.863 -0.507 9.087 1.00 0.75 C ATOM 1187 C ASP A 437 9.937 -1.648 8.076 1.00 0.71 C ATOM 1188 O ASP A 437 10.987 -1.893 7.482 1.00 0.78 O ATOM 1189 CB ASP A 437 10.018 -1.060 10.505 1.00 0.92 C ATOM 1190 CG ASP A 437 9.996 0.032 11.556 1.00 1.02 C ATOM 1191 OD1 ASP A 437 10.869 0.924 11.506 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.106 -0.005 12.432 1.00 1.34 O ATOM 0 H ASP A 437 8.120 0.383 9.848 1.00 0.65 H new ATOM 0 HA ASP A 437 10.678 0.186 8.879 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.215 -1.770 10.705 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.956 -1.611 10.577 1.00 0.92 H new ATOM 1197 N ASP A 438 8.819 -2.339 7.880 1.00 0.68 N ATOM 1198 CA ASP A 438 8.768 -3.447 6.933 1.00 0.73 C ATOM 1199 C ASP A 438 8.979 -2.954 5.505 1.00 0.73 C ATOM 1200 O ASP A 438 9.727 -3.556 4.734 1.00 1.35 O ATOM 1201 CB ASP A 438 7.431 -4.183 7.040 1.00 0.88 C ATOM 1202 CG ASP A 438 7.233 -4.834 8.395 1.00 1.08 C ATOM 1203 OD1 ASP A 438 8.095 -5.642 8.799 1.00 1.36 O ATOM 1204 OD2 ASP A 438 6.217 -4.529 9.056 1.00 1.56 O ATOM 0 H ASP A 438 7.940 -2.153 8.362 1.00 0.68 H new ATOM 0 HA ASP A 438 9.573 -4.138 7.182 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.618 -3.481 6.856 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.376 -4.945 6.263 1.00 0.88 H new ATOM 1209 N LEU A 439 8.314 -1.854 5.158 1.00 0.54 N ATOM 1210 CA LEU A 439 8.425 -1.281 3.821 1.00 0.53 C ATOM 1211 C LEU A 439 9.856 -0.823 3.533 1.00 0.61 C ATOM 1212 O LEU A 439 10.633 -1.550 2.913 1.00 0.86 O ATOM 1213 CB LEU A 439 7.446 -0.116 3.649 1.00 0.52 C ATOM 1214 CG LEU A 439 5.968 -0.466 3.842 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.099 0.745 3.546 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.563 -1.638 2.961 1.00 1.10 C ATOM 0 H LEU A 439 7.693 -1.343 5.785 1.00 0.54 H new ATOM 0 HA LEU A 439 8.168 -2.059 3.103 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.712 0.668 4.359 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.576 0.301 2.650 1.00 0.52 H new ATOM 0 HG LEU A 439 5.821 -0.760 4.881 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.050 0.483 3.687 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.364 1.557 4.223 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.258 1.064 2.516 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.509 -1.865 3.119 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.726 -1.380 1.915 1.00 1.10 H new ATOM 0 HD23 LEU A 439 6.164 -2.511 3.217 1.00 1.10 H new ATOM 1228 N GLY A 440 10.203 0.385 3.980 1.00 0.59 N ATOM 1229 CA GLY A 440 11.540 0.900 3.748 1.00 0.77 C ATOM 1230 C GLY A 440 11.931 1.988 4.732 1.00 0.96 C ATOM 1231 O GLY A 440 12.687 2.896 4.388 1.00 1.36 O ATOM 0 H GLY A 440 9.584 1.011 4.495 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.256 0.081 3.815 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.601 1.295 2.734 1.00 0.77 H new ATOM 1235 N GLY A 441 11.419 1.891 5.959 1.00 0.93 N ATOM 1236 CA GLY A 441 11.734 2.878 6.981 1.00 1.24 C ATOM 1237 C GLY A 441 11.559 4.297 6.489 1.00 1.14 C ATOM 1238 O GLY A 441 12.377 5.169 6.780 1.00 1.83 O ATOM 0 H GLY A 441 10.792 1.146 6.263 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.093 2.716 7.848 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.762 2.736 7.314 1.00 1.24 H new ATOM 1242 N ILE A 442 10.492 4.516 5.734 1.00 1.10 N ATOM 1243 CA ILE A 442 10.190 5.820 5.173 1.00 1.03 C ATOM 1244 C ILE A 442 11.353 6.307 4.321 1.00 1.05 C ATOM 1245 O ILE A 442 12.365 6.758 4.853 1.00 1.39 O ATOM 1246 CB ILE A 442 9.899 6.839 6.286 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.669 6.415 7.097 1.00 1.41 C ATOM 1248 CG2 ILE A 442 9.713 8.236 5.709 1.00 1.38 C ATOM 1249 CD1 ILE A 442 7.414 6.243 6.266 1.00 1.48 C ATOM 0 H ILE A 442 9.813 3.793 5.495 1.00 1.10 H new ATOM 0 HA ILE A 442 9.302 5.724 4.548 1.00 1.03 H new ATOM 0 HB ILE A 442 10.758 6.865 6.957 1.00 1.26 H new ATOM 0 HG12 ILE A 442 8.888 5.476 7.605 1.00 1.41 H new ATOM 0 HG13 ILE A 442 8.482 7.160 7.870 1.00 1.41 H new ATOM 0 HG21 ILE A 442 9.508 8.939 6.517 1.00 1.38 H new ATOM 0 HG22 ILE A 442 10.621 8.538 5.187 1.00 1.38 H new ATOM 0 HG23 ILE A 442 8.877 8.233 5.010 1.00 1.38 H new ATOM 0 HD11 ILE A 442 6.589 5.943 6.911 1.00 1.48 H new ATOM 0 HD12 ILE A 442 7.168 7.186 5.778 1.00 1.48 H new ATOM 0 HD13 ILE A 442 7.581 5.476 5.510 1.00 1.48 H new