USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 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 66 SER OG : rot -128:sc= 0.6 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.543 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0626) USER MOD Single : A 25 ASN : amide:sc= 0.635 K(o=0.64,f=-0.011) USER MOD Single : A 26 ASN : amide:sc= 0.0715 X(o=0.071,f=-0.13) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 29 SER OG : rot 71:sc= 0.0945 USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.043) USER MOD Single : A 40 ASN : amide:sc= -0.999 K(o=-1,f=-5!) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= -0.0383 (180deg=-0.322) USER MOD Single : A 47 THR OG1 : rot 100:sc= 0.368 USER MOD Single : A 49 THR OG1 : rot 39:sc= 0.0586 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.822 X(o=-0.82,f=-0.67) USER MOD Single : A 76 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 78 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.17) USER MOD Single : A 79 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.033 12.660 6.688 1.00 0.00 N ATOM 246 CA ARG A 16 2.726 13.366 5.430 1.00 0.00 C ATOM 247 C ARG A 16 1.888 12.477 4.484 1.00 0.00 C ATOM 248 O ARG A 16 2.263 11.343 4.183 1.00 0.00 O ATOM 249 CB ARG A 16 4.060 13.830 4.767 1.00 0.00 C ATOM 250 CG ARG A 16 5.199 12.779 4.784 1.00 0.00 C ATOM 251 CD ARG A 16 6.443 13.234 4.003 1.00 0.00 C ATOM 252 NE ARG A 16 6.138 13.440 2.579 1.00 0.00 N ATOM 253 CZ ARG A 16 6.989 13.265 1.562 1.00 0.00 C ATOM 254 NH1 ARG A 16 8.247 12.880 1.765 1.00 0.00 N ATOM 255 NH2 ARG A 16 6.560 13.477 0.332 1.00 0.00 N ATOM 0 HA ARG A 16 2.120 14.246 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.857 14.107 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.408 14.729 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.480 12.571 5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.831 11.845 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.825 14.160 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.231 12.487 4.103 1.00 0.00 H new ATOM 0 HE ARG A 16 5.193 13.744 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.582 12.711 2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.876 12.754 0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.596 13.769 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.193 13.349 -0.458 1.00 0.00 H new ATOM 269 N GLU A 17 0.737 13.005 4.026 1.00 0.00 N ATOM 270 CA GLU A 17 -0.158 12.296 3.102 1.00 0.00 C ATOM 271 C GLU A 17 0.315 12.529 1.654 1.00 0.00 C ATOM 272 O GLU A 17 0.524 13.673 1.247 1.00 0.00 O ATOM 273 CB GLU A 17 -1.630 12.767 3.257 1.00 0.00 C ATOM 274 CG GLU A 17 -2.634 11.980 2.379 1.00 0.00 C ATOM 275 CD GLU A 17 -4.059 12.543 2.421 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.781 12.300 3.410 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.467 13.248 1.469 1.00 0.00 O ATOM 0 H GLU A 17 0.405 13.933 4.288 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.122 11.233 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.924 12.672 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.692 13.825 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.282 11.983 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.653 10.941 2.707 1.00 0.00 H new ATOM 284 N ILE A 18 0.486 11.436 0.911 1.00 0.00 N ATOM 285 CA ILE A 18 0.893 11.414 -0.502 1.00 0.00 C ATOM 286 C ILE A 18 -0.295 10.965 -1.376 1.00 0.00 C ATOM 287 O ILE A 18 -1.387 10.657 -0.869 1.00 0.00 O ATOM 288 CB ILE A 18 2.097 10.407 -0.713 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.677 8.951 -0.292 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.358 10.881 0.050 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.714 7.883 -0.567 1.00 0.00 C ATOM 0 H ILE A 18 0.340 10.500 1.289 1.00 0.00 H new ATOM 0 HA ILE A 18 1.209 12.417 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 18 2.349 10.388 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.448 8.949 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.758 8.688 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.169 10.171 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.657 11.863 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.137 10.942 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.333 6.914 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.928 7.850 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.628 8.115 -0.021 1.00 0.00 H new ATOM 303 N THR A 19 -0.052 10.912 -2.692 1.00 0.00 N ATOM 304 CA THR A 19 -1.004 10.402 -3.683 1.00 0.00 C ATOM 305 C THR A 19 -0.785 8.885 -3.873 1.00 0.00 C ATOM 306 O THR A 19 0.314 8.384 -3.608 1.00 0.00 O ATOM 307 CB THR A 19 -0.818 11.155 -5.044 1.00 0.00 C ATOM 308 OG1 THR A 19 0.502 10.921 -5.565 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.046 12.673 -4.885 1.00 0.00 C ATOM 0 H THR A 19 0.826 11.228 -3.103 1.00 0.00 H new ATOM 0 HA THR A 19 -2.021 10.574 -3.330 1.00 0.00 H new ATOM 0 HB THR A 19 -1.562 10.767 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.606 11.395 -6.416 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.909 13.164 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.060 12.853 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.331 13.075 -4.168 1.00 0.00 H new ATOM 317 N TRP A 20 -1.848 8.165 -4.296 1.00 0.00 N ATOM 318 CA TRP A 20 -1.787 6.716 -4.596 1.00 0.00 C ATOM 319 C TRP A 20 -0.768 6.446 -5.713 1.00 0.00 C ATOM 320 O TRP A 20 -0.003 5.491 -5.631 1.00 0.00 O ATOM 321 CB TRP A 20 -3.197 6.160 -4.986 1.00 0.00 C ATOM 322 CG TRP A 20 -3.183 4.731 -5.529 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.216 4.352 -6.844 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.111 3.506 -4.777 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.168 2.986 -6.948 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.108 2.443 -5.699 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.054 3.206 -3.421 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.042 1.108 -5.307 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.993 1.880 -3.031 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.990 0.843 -3.971 1.00 0.00 C ATOM 0 H TRP A 20 -2.772 8.572 -4.439 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.463 6.195 -3.695 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.844 6.197 -4.109 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.639 6.817 -5.736 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.272 5.033 -7.681 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.176 2.459 -7.821 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.057 3.995 -2.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.032 0.311 -6.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.947 1.640 -1.979 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.946 -0.182 -3.633 1.00 0.00 H new ATOM 341 N LYS A 21 -0.800 7.297 -6.757 1.00 0.00 N ATOM 342 CA LYS A 21 0.138 7.231 -7.887 1.00 0.00 C ATOM 343 C LYS A 21 1.604 7.252 -7.401 1.00 0.00 C ATOM 344 O LYS A 21 2.403 6.396 -7.786 1.00 0.00 O ATOM 345 CB LYS A 21 -0.137 8.404 -8.861 1.00 0.00 C ATOM 346 CG LYS A 21 0.788 8.457 -10.098 1.00 0.00 C ATOM 347 CD LYS A 21 0.390 9.590 -11.075 1.00 0.00 C ATOM 348 CE LYS A 21 1.364 9.753 -12.253 1.00 0.00 C ATOM 349 NZ LYS A 21 2.713 10.183 -11.806 1.00 0.00 N ATOM 0 H LYS A 21 -1.481 8.052 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.016 6.289 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.170 8.339 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.040 9.341 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.818 8.604 -9.774 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.751 7.500 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.608 9.390 -11.464 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.335 10.530 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.445 8.808 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.964 10.485 -12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.292 10.428 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.625 11.014 -11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.168 9.409 -11.282 1.00 0.00 H new ATOM 363 N ASP A 22 1.925 8.208 -6.507 1.00 0.00 N ATOM 364 CA ASP A 22 3.283 8.367 -5.964 1.00 0.00 C ATOM 365 C ASP A 22 3.620 7.197 -5.023 1.00 0.00 C ATOM 366 O ASP A 22 4.758 6.741 -4.990 1.00 0.00 O ATOM 367 CB ASP A 22 3.437 9.722 -5.236 1.00 0.00 C ATOM 368 CG ASP A 22 4.889 9.986 -4.791 1.00 0.00 C ATOM 369 OD1 ASP A 22 5.708 10.379 -5.649 1.00 0.00 O ATOM 370 OD2 ASP A 22 5.213 9.809 -3.601 1.00 0.00 O ATOM 0 H ASP A 22 1.254 8.885 -6.145 1.00 0.00 H new ATOM 0 HA ASP A 22 3.988 8.358 -6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.110 10.526 -5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.783 9.740 -4.364 1.00 0.00 H new ATOM 375 N PHE A 23 2.604 6.705 -4.287 1.00 0.00 N ATOM 376 CA PHE A 23 2.742 5.519 -3.420 1.00 0.00 C ATOM 377 C PHE A 23 3.250 4.315 -4.227 1.00 0.00 C ATOM 378 O PHE A 23 4.145 3.607 -3.785 1.00 0.00 O ATOM 379 CB PHE A 23 1.398 5.179 -2.710 1.00 0.00 C ATOM 380 CG PHE A 23 1.351 3.776 -2.108 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.263 3.384 -1.126 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.423 2.836 -2.554 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.240 2.103 -0.611 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.407 1.559 -2.037 1.00 0.00 C ATOM 385 CZ PHE A 23 1.312 1.196 -1.066 1.00 0.00 C ATOM 0 H PHE A 23 1.670 7.116 -4.277 1.00 0.00 H new ATOM 0 HA PHE A 23 3.476 5.752 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.222 5.909 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.584 5.283 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.995 4.091 -0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.292 3.112 -3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.951 1.814 0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.317 0.842 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.293 0.195 -0.660 1.00 0.00 H new ATOM 395 N VAL A 24 2.649 4.100 -5.398 1.00 0.00 N ATOM 396 CA VAL A 24 3.008 2.999 -6.288 1.00 0.00 C ATOM 397 C VAL A 24 4.469 3.129 -6.756 1.00 0.00 C ATOM 398 O VAL A 24 5.346 2.437 -6.253 1.00 0.00 O ATOM 399 CB VAL A 24 2.030 2.943 -7.517 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.464 1.874 -8.550 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.576 2.704 -7.036 1.00 0.00 C ATOM 0 H VAL A 24 1.896 4.688 -5.756 1.00 0.00 H new ATOM 0 HA VAL A 24 2.914 2.065 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 24 2.072 3.907 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.762 1.867 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.463 2.108 -8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.473 0.893 -8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.091 2.667 -7.897 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.522 1.759 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.273 3.517 -6.377 1.00 0.00 H new ATOM 411 N ASN A 25 4.722 4.113 -7.625 1.00 0.00 N ATOM 412 CA ASN A 25 5.939 4.142 -8.461 1.00 0.00 C ATOM 413 C ASN A 25 7.193 4.505 -7.640 1.00 0.00 C ATOM 414 O ASN A 25 8.295 4.027 -7.931 1.00 0.00 O ATOM 415 CB ASN A 25 5.755 5.120 -9.649 1.00 0.00 C ATOM 416 CG ASN A 25 4.512 4.805 -10.487 1.00 0.00 C ATOM 417 OD1 ASN A 25 4.551 3.989 -11.404 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.405 5.460 -10.192 1.00 0.00 N ATOM 0 H ASN A 25 4.099 4.907 -7.772 1.00 0.00 H new ATOM 0 HA ASN A 25 6.093 3.137 -8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.683 6.139 -9.268 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.638 5.080 -10.287 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.555 5.294 -10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.399 6.133 -9.425 1.00 0.00 H new ATOM 425 N ASN A 26 7.008 5.334 -6.601 1.00 0.00 N ATOM 426 CA ASN A 26 8.103 5.850 -5.764 1.00 0.00 C ATOM 427 C ASN A 26 8.379 4.934 -4.543 1.00 0.00 C ATOM 428 O ASN A 26 9.491 4.948 -4.013 1.00 0.00 O ATOM 429 CB ASN A 26 7.724 7.292 -5.311 1.00 0.00 C ATOM 430 CG ASN A 26 8.779 8.041 -4.507 1.00 0.00 C ATOM 431 OD1 ASN A 26 9.980 7.862 -4.701 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.333 8.911 -3.612 1.00 0.00 N ATOM 0 H ASN A 26 6.087 5.668 -6.316 1.00 0.00 H new ATOM 0 HA ASN A 26 9.026 5.868 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.488 7.879 -6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.814 7.236 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.993 9.457 -3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.330 9.034 -3.477 1.00 0.00 H new ATOM 439 N TYR A 27 7.383 4.123 -4.092 1.00 0.00 N ATOM 440 CA TYR A 27 7.519 3.330 -2.834 1.00 0.00 C ATOM 441 C TYR A 27 7.282 1.811 -3.035 1.00 0.00 C ATOM 442 O TYR A 27 8.207 1.011 -2.844 1.00 0.00 O ATOM 443 CB TYR A 27 6.574 3.893 -1.738 1.00 0.00 C ATOM 444 CG TYR A 27 6.878 5.341 -1.321 1.00 0.00 C ATOM 445 CD1 TYR A 27 8.038 5.654 -0.611 1.00 0.00 C ATOM 446 CD2 TYR A 27 6.013 6.396 -1.631 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.319 6.945 -0.219 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.294 7.694 -1.235 1.00 0.00 C ATOM 449 CZ TYR A 27 7.449 7.961 -0.532 1.00 0.00 C ATOM 450 OH TYR A 27 7.731 9.246 -0.125 1.00 0.00 O ATOM 0 H TYR A 27 6.490 4.001 -4.570 1.00 0.00 H new ATOM 0 HA TYR A 27 8.555 3.435 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.547 3.840 -2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.637 3.253 -0.858 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.733 4.865 -0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.110 6.195 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.222 7.158 0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.610 8.494 -1.477 1.00 0.00 H new ATOM 0 HH TYR A 27 7.019 9.848 -0.426 1.00 0.00 H new ATOM 460 N LEU A 28 6.033 1.424 -3.379 1.00 0.00 N ATOM 461 CA LEU A 28 5.611 0.001 -3.494 1.00 0.00 C ATOM 462 C LEU A 28 6.447 -0.749 -4.544 1.00 0.00 C ATOM 463 O LEU A 28 6.980 -1.831 -4.271 1.00 0.00 O ATOM 464 CB LEU A 28 4.088 -0.087 -3.805 1.00 0.00 C ATOM 465 CG LEU A 28 3.437 -1.535 -3.813 1.00 0.00 C ATOM 466 CD1 LEU A 28 1.974 -1.499 -3.341 1.00 0.00 C ATOM 467 CD2 LEU A 28 3.517 -2.217 -5.208 1.00 0.00 C ATOM 0 H LEU A 28 5.285 2.086 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 28 5.790 -0.488 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.557 0.519 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.914 0.368 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 28 4.023 -2.130 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.561 -2.507 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.929 -1.107 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.394 -0.857 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.058 -3.204 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.989 -1.608 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.561 -2.318 -5.505 1.00 0.00 H new ATOM 479 N SER A 29 6.552 -0.145 -5.730 1.00 0.00 N ATOM 480 CA SER A 29 7.332 -0.662 -6.862 1.00 0.00 C ATOM 481 C SER A 29 8.843 -0.710 -6.554 1.00 0.00 C ATOM 482 O SER A 29 9.592 -1.437 -7.212 1.00 0.00 O ATOM 483 CB SER A 29 7.069 0.229 -8.087 1.00 0.00 C ATOM 484 OG SER A 29 5.676 0.372 -8.320 1.00 0.00 O ATOM 0 H SER A 29 6.087 0.739 -5.937 1.00 0.00 H new ATOM 0 HA SER A 29 7.017 -1.686 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.518 1.210 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.546 -0.204 -8.966 1.00 0.00 H new ATOM 0 HG SER A 29 5.284 0.937 -7.622 1.00 0.00 H new ATOM 490 N LYS A 30 9.282 0.082 -5.555 1.00 0.00 N ATOM 491 CA LYS A 30 10.693 0.143 -5.123 1.00 0.00 C ATOM 492 C LYS A 30 10.944 -0.762 -3.898 1.00 0.00 C ATOM 493 O LYS A 30 12.068 -0.819 -3.401 1.00 0.00 O ATOM 494 CB LYS A 30 11.088 1.611 -4.809 1.00 0.00 C ATOM 495 CG LYS A 30 10.938 2.580 -6.000 1.00 0.00 C ATOM 496 CD LYS A 30 11.749 2.134 -7.241 1.00 0.00 C ATOM 497 CE LYS A 30 11.643 3.126 -8.414 1.00 0.00 C ATOM 498 NZ LYS A 30 12.226 4.453 -8.097 1.00 0.00 N ATOM 0 H LYS A 30 8.667 0.698 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 30 11.316 -0.225 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.474 1.971 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.123 1.631 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.885 2.658 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.264 3.575 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.796 2.019 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.397 1.155 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.151 2.709 -9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.595 3.250 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.220 5.048 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.663 4.911 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.204 4.332 -7.766 1.00 0.00 H new ATOM 512 N GLY A 31 9.883 -1.453 -3.419 1.00 0.00 N ATOM 513 CA GLY A 31 9.973 -2.419 -2.311 1.00 0.00 C ATOM 514 C GLY A 31 10.496 -1.859 -0.990 1.00 0.00 C ATOM 515 O GLY A 31 11.061 -2.608 -0.179 1.00 0.00 O ATOM 0 H GLY A 31 8.940 -1.352 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.983 -2.842 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.621 -3.240 -2.619 1.00 0.00 H new ATOM 519 N VAL A 32 10.305 -0.545 -0.767 1.00 0.00 N ATOM 520 CA VAL A 32 10.724 0.129 0.487 1.00 0.00 C ATOM 521 C VAL A 32 9.595 0.115 1.538 1.00 0.00 C ATOM 522 O VAL A 32 9.744 0.677 2.626 1.00 0.00 O ATOM 523 CB VAL A 32 11.209 1.606 0.221 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.362 1.634 -0.809 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.044 2.527 -0.213 1.00 0.00 C ATOM 0 H VAL A 32 9.861 0.079 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 32 11.568 -0.436 0.884 1.00 0.00 H new ATOM 0 HB VAL A 32 11.591 1.998 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.677 2.664 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.203 1.053 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.020 1.204 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.422 3.535 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.600 2.143 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.288 2.553 0.572 1.00 0.00 H new ATOM 535 N VAL A 33 8.477 -0.554 1.200 1.00 0.00 N ATOM 536 CA VAL A 33 7.298 -0.671 2.069 1.00 0.00 C ATOM 537 C VAL A 33 7.319 -2.052 2.758 1.00 0.00 C ATOM 538 O VAL A 33 7.427 -3.076 2.084 1.00 0.00 O ATOM 539 CB VAL A 33 5.961 -0.502 1.251 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.727 -0.440 2.187 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.020 0.736 0.322 1.00 0.00 C ATOM 0 H VAL A 33 8.369 -1.032 0.306 1.00 0.00 H new ATOM 0 HA VAL A 33 7.334 0.124 2.814 1.00 0.00 H new ATOM 0 HB VAL A 33 5.852 -1.385 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.823 -0.323 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.663 -1.361 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.826 0.408 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.083 0.824 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.175 1.633 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.844 0.623 -0.382 1.00 0.00 H new ATOM 551 N ASP A 34 7.231 -2.055 4.094 1.00 0.00 N ATOM 552 CA ASP A 34 7.211 -3.271 4.928 1.00 0.00 C ATOM 553 C ASP A 34 5.786 -3.827 5.008 1.00 0.00 C ATOM 554 O ASP A 34 5.550 -5.003 4.739 1.00 0.00 O ATOM 555 CB ASP A 34 7.728 -2.945 6.357 1.00 0.00 C ATOM 556 CG ASP A 34 7.667 -4.145 7.322 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.428 -5.115 7.122 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.860 -4.134 8.276 1.00 0.00 O ATOM 0 H ASP A 34 7.170 -1.196 4.640 1.00 0.00 H new ATOM 0 HA ASP A 34 7.862 -4.019 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.758 -2.594 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.138 -2.127 6.770 1.00 0.00 H new ATOM 563 N ARG A 35 4.847 -2.941 5.370 1.00 0.00 N ATOM 564 CA ARG A 35 3.433 -3.294 5.572 1.00 0.00 C ATOM 565 C ARG A 35 2.556 -2.058 5.337 1.00 0.00 C ATOM 566 O ARG A 35 3.042 -0.922 5.335 1.00 0.00 O ATOM 567 CB ARG A 35 3.199 -3.883 6.996 1.00 0.00 C ATOM 568 CG ARG A 35 3.365 -2.881 8.157 1.00 0.00 C ATOM 569 CD ARG A 35 3.189 -3.527 9.542 1.00 0.00 C ATOM 570 NE ARG A 35 4.286 -4.445 9.872 1.00 0.00 N ATOM 571 CZ ARG A 35 4.292 -5.314 10.889 1.00 0.00 C ATOM 572 NH1 ARG A 35 3.245 -5.437 11.698 1.00 0.00 N ATOM 573 NH2 ARG A 35 5.373 -6.036 11.107 1.00 0.00 N ATOM 0 H ARG A 35 5.047 -1.954 5.532 1.00 0.00 H new ATOM 0 HA ARG A 35 3.157 -4.065 4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.193 -4.300 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.893 -4.709 7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.354 -2.426 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.637 -2.078 8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.131 -2.746 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.244 -4.069 9.570 1.00 0.00 H new ATOM 0 HE ARG A 35 5.113 -4.418 9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.415 -4.862 11.549 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.271 -6.106 12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.189 -5.928 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.394 -6.703 11.878 1.00 0.00 H new ATOM 587 N LEU A 36 1.265 -2.300 5.110 1.00 0.00 N ATOM 588 CA LEU A 36 0.256 -1.255 4.947 1.00 0.00 C ATOM 589 C LEU A 36 -0.738 -1.349 6.106 1.00 0.00 C ATOM 590 O LEU A 36 -1.615 -2.219 6.120 1.00 0.00 O ATOM 591 CB LEU A 36 -0.446 -1.431 3.572 1.00 0.00 C ATOM 592 CG LEU A 36 0.453 -1.136 2.334 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.274 -1.434 1.010 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.998 0.313 2.378 1.00 0.00 C ATOM 0 H LEU A 36 0.885 -3.244 5.033 1.00 0.00 H new ATOM 0 HA LEU A 36 0.713 -0.266 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.817 -2.453 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.315 -0.773 3.537 1.00 0.00 H new ATOM 0 HG LEU A 36 1.306 -1.813 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.389 -1.214 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.560 -2.486 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.167 -0.813 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.622 0.494 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.164 1.015 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.591 0.451 3.282 1.00 0.00 H new ATOM 606 N GLU A 37 -0.571 -0.449 7.083 1.00 0.00 N ATOM 607 CA GLU A 37 -1.415 -0.386 8.279 1.00 0.00 C ATOM 608 C GLU A 37 -2.641 0.482 7.982 1.00 0.00 C ATOM 609 O GLU A 37 -2.570 1.715 8.016 1.00 0.00 O ATOM 610 CB GLU A 37 -0.607 0.177 9.480 1.00 0.00 C ATOM 611 CG GLU A 37 0.544 -0.742 9.942 1.00 0.00 C ATOM 612 CD GLU A 37 1.428 -0.144 11.049 1.00 0.00 C ATOM 613 OE1 GLU A 37 0.920 0.618 11.898 1.00 0.00 O ATOM 614 OE2 GLU A 37 2.649 -0.422 11.060 1.00 0.00 O ATOM 0 H GLU A 37 0.161 0.261 7.064 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.749 -1.388 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.196 1.149 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.286 0.343 10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.122 -1.682 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.170 -0.980 9.082 1.00 0.00 H new ATOM 621 N VAL A 38 -3.770 -0.180 7.721 1.00 0.00 N ATOM 622 CA VAL A 38 -4.995 0.483 7.275 1.00 0.00 C ATOM 623 C VAL A 38 -5.778 0.887 8.531 1.00 0.00 C ATOM 624 O VAL A 38 -6.575 0.103 9.075 1.00 0.00 O ATOM 625 CB VAL A 38 -5.845 -0.455 6.339 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.019 0.312 5.692 1.00 0.00 C ATOM 627 CG2 VAL A 38 -4.953 -1.117 5.258 1.00 0.00 C ATOM 0 H VAL A 38 -3.860 -1.192 7.813 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.756 1.365 6.681 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.267 -1.246 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.586 -0.364 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.671 0.705 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.630 1.137 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.565 -1.760 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.487 -0.344 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.179 -1.714 5.740 1.00 0.00 H new ATOM 637 N VAL A 39 -5.502 2.107 9.013 1.00 0.00 N ATOM 638 CA VAL A 39 -6.038 2.598 10.278 1.00 0.00 C ATOM 639 C VAL A 39 -7.467 3.113 10.066 1.00 0.00 C ATOM 640 O VAL A 39 -7.736 3.912 9.157 1.00 0.00 O ATOM 641 CB VAL A 39 -5.150 3.725 10.908 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.753 4.232 12.252 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.683 3.250 11.092 1.00 0.00 C ATOM 0 H VAL A 39 -4.901 2.776 8.533 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.041 1.763 10.979 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.139 4.565 10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.115 5.013 12.665 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.750 4.634 12.075 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.816 3.404 12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.093 4.054 11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.661 2.382 11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.264 2.980 10.123 1.00 0.00 H new ATOM 653 N ASN A 40 -8.356 2.588 10.915 1.00 0.00 N ATOM 654 CA ASN A 40 -9.785 2.868 10.966 1.00 0.00 C ATOM 655 C ASN A 40 -10.481 2.501 9.635 1.00 0.00 C ATOM 656 O ASN A 40 -11.603 2.945 9.373 1.00 0.00 O ATOM 657 CB ASN A 40 -10.055 4.343 11.386 1.00 0.00 C ATOM 658 CG ASN A 40 -11.296 4.485 12.262 1.00 0.00 C ATOM 659 OD1 ASN A 40 -12.105 5.394 12.091 1.00 0.00 O ATOM 660 ND2 ASN A 40 -11.434 3.598 13.239 1.00 0.00 N ATOM 0 H ASN A 40 -8.074 1.915 11.627 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.224 2.232 11.735 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.189 4.728 11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.173 4.956 10.492 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.229 3.659 13.875 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.745 2.855 13.354 1.00 0.00 H new ATOM 667 N LYS A 41 -9.806 1.637 8.831 1.00 0.00 N ATOM 668 CA LYS A 41 -10.118 1.331 7.410 1.00 0.00 C ATOM 669 C LYS A 41 -10.493 2.558 6.535 1.00 0.00 C ATOM 670 O LYS A 41 -10.984 2.411 5.420 1.00 0.00 O ATOM 671 CB LYS A 41 -11.112 0.135 7.252 1.00 0.00 C ATOM 672 CG LYS A 41 -12.494 0.286 7.909 1.00 0.00 C ATOM 673 CD LYS A 41 -13.444 -0.869 7.520 1.00 0.00 C ATOM 674 CE LYS A 41 -14.709 -0.919 8.382 1.00 0.00 C ATOM 675 NZ LYS A 41 -14.387 -1.179 9.805 1.00 0.00 N ATOM 0 H LYS A 41 -8.998 1.114 9.169 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.166 1.002 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.261 -0.044 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.637 -0.757 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.380 0.314 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.936 1.237 7.611 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.728 -0.761 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.912 -1.816 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.246 0.025 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.373 -1.699 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.245 -1.490 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.662 -1.922 9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.028 -0.308 10.244 1.00 0.00 H new ATOM 689 N ARG A 42 -10.139 3.758 7.012 1.00 0.00 N ATOM 690 CA ARG A 42 -10.454 5.038 6.350 1.00 0.00 C ATOM 691 C ARG A 42 -9.229 5.510 5.564 1.00 0.00 C ATOM 692 O ARG A 42 -9.353 6.166 4.524 1.00 0.00 O ATOM 693 CB ARG A 42 -10.853 6.087 7.417 1.00 0.00 C ATOM 694 CG ARG A 42 -11.052 7.533 6.884 1.00 0.00 C ATOM 695 CD ARG A 42 -11.301 8.543 8.015 1.00 0.00 C ATOM 696 NE ARG A 42 -10.253 8.463 9.059 1.00 0.00 N ATOM 697 CZ ARG A 42 -10.462 8.099 10.337 1.00 0.00 C ATOM 698 NH1 ARG A 42 -11.680 7.794 10.765 1.00 0.00 N ATOM 699 NH2 ARG A 42 -9.443 8.018 11.171 1.00 0.00 N ATOM 0 H ARG A 42 -9.618 3.873 7.881 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.289 4.908 5.661 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.778 5.763 7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.085 6.105 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.170 7.834 6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.895 7.550 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.329 9.552 7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.277 8.355 8.463 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.299 8.702 8.788 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.471 7.834 10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.825 7.519 11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.500 8.231 10.846 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.598 7.742 12.141 1.00 0.00 H new ATOM 713 N PHE A 43 -8.039 5.148 6.069 1.00 0.00 N ATOM 714 CA PHE A 43 -6.765 5.520 5.460 1.00 0.00 C ATOM 715 C PHE A 43 -5.733 4.420 5.694 1.00 0.00 C ATOM 716 O PHE A 43 -5.800 3.685 6.681 1.00 0.00 O ATOM 717 CB PHE A 43 -6.259 6.896 5.976 1.00 0.00 C ATOM 718 CG PHE A 43 -5.853 6.980 7.452 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.817 7.073 8.459 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.504 7.007 7.830 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.445 7.186 9.786 1.00 0.00 C ATOM 722 CE2 PHE A 43 -4.136 7.129 9.154 1.00 0.00 C ATOM 723 CZ PHE A 43 -5.106 7.220 10.132 1.00 0.00 C ATOM 0 H PHE A 43 -7.940 4.587 6.915 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.919 5.627 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.401 7.190 5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.042 7.633 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.865 7.056 8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.739 6.931 7.072 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.202 7.248 10.554 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.091 7.153 9.425 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.819 7.318 11.169 1.00 0.00 H new ATOM 733 N VAL A 44 -4.785 4.336 4.767 1.00 0.00 N ATOM 734 CA VAL A 44 -3.703 3.356 4.776 1.00 0.00 C ATOM 735 C VAL A 44 -2.391 4.087 5.047 1.00 0.00 C ATOM 736 O VAL A 44 -2.069 5.060 4.359 1.00 0.00 O ATOM 737 CB VAL A 44 -3.608 2.608 3.406 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.481 1.555 3.412 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.960 1.977 3.023 1.00 0.00 C ATOM 0 H VAL A 44 -4.746 4.965 3.965 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.900 2.616 5.552 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.358 3.348 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.445 1.055 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.526 2.045 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.674 0.820 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.864 1.464 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.258 1.262 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.716 2.758 2.941 1.00 0.00 H new ATOM 749 N ARG A 45 -1.645 3.601 6.038 1.00 0.00 N ATOM 750 CA ARG A 45 -0.352 4.157 6.420 1.00 0.00 C ATOM 751 C ARG A 45 0.731 3.265 5.812 1.00 0.00 C ATOM 752 O ARG A 45 0.758 2.046 6.047 1.00 0.00 O ATOM 753 CB ARG A 45 -0.228 4.259 7.970 1.00 0.00 C ATOM 754 CG ARG A 45 0.826 5.280 8.495 1.00 0.00 C ATOM 755 CD ARG A 45 2.298 4.829 8.344 1.00 0.00 C ATOM 756 NE ARG A 45 2.595 3.589 9.095 1.00 0.00 N ATOM 757 CZ ARG A 45 3.243 3.529 10.276 1.00 0.00 C ATOM 758 NH1 ARG A 45 3.675 4.626 10.886 1.00 0.00 N ATOM 759 NH2 ARG A 45 3.449 2.367 10.854 1.00 0.00 N ATOM 0 H ARG A 45 -1.927 2.800 6.604 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.240 5.173 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.202 4.528 8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.021 3.273 8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.693 6.223 7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.627 5.477 9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.519 4.671 7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.955 5.626 8.692 1.00 0.00 H new ATOM 0 HE ARG A 45 2.284 2.708 8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.519 5.540 10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.163 4.555 11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.119 1.511 10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.939 2.322 11.747 1.00 0.00 H new ATOM 773 N VAL A 46 1.617 3.894 5.045 1.00 0.00 N ATOM 774 CA VAL A 46 2.734 3.220 4.394 1.00 0.00 C ATOM 775 C VAL A 46 3.855 3.097 5.421 1.00 0.00 C ATOM 776 O VAL A 46 4.515 4.093 5.761 1.00 0.00 O ATOM 777 CB VAL A 46 3.225 4.033 3.141 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.349 3.295 2.368 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.035 4.395 2.224 1.00 0.00 C ATOM 0 H VAL A 46 1.579 4.896 4.857 1.00 0.00 H new ATOM 0 HA VAL A 46 2.426 2.236 4.040 1.00 0.00 H new ATOM 0 HB VAL A 46 3.663 4.963 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.656 3.895 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.203 3.141 3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.979 2.330 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.397 4.957 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.548 3.482 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.319 5.002 2.779 1.00 0.00 H new ATOM 789 N THR A 47 4.044 1.883 5.933 1.00 0.00 N ATOM 790 CA THR A 47 5.081 1.582 6.908 1.00 0.00 C ATOM 791 C THR A 47 6.304 1.129 6.133 1.00 0.00 C ATOM 792 O THR A 47 6.190 0.240 5.303 1.00 0.00 O ATOM 793 CB THR A 47 4.631 0.464 7.893 1.00 0.00 C ATOM 794 OG1 THR A 47 3.338 0.790 8.430 1.00 0.00 O ATOM 795 CG2 THR A 47 5.634 0.256 9.049 1.00 0.00 C ATOM 0 H THR A 47 3.475 1.076 5.678 1.00 0.00 H new ATOM 0 HA THR A 47 5.295 2.467 7.507 1.00 0.00 H new ATOM 0 HB THR A 47 4.586 -0.468 7.330 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.648 0.285 7.951 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.272 -0.534 9.707 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.605 -0.026 8.642 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.734 1.182 9.615 1.00 0.00 H new ATOM 803 N PHE A 48 7.445 1.772 6.376 1.00 0.00 N ATOM 804 CA PHE A 48 8.689 1.491 5.648 1.00 0.00 C ATOM 805 C PHE A 48 9.457 0.318 6.261 1.00 0.00 C ATOM 806 O PHE A 48 9.397 0.080 7.477 1.00 0.00 O ATOM 807 CB PHE A 48 9.584 2.738 5.609 1.00 0.00 C ATOM 808 CG PHE A 48 8.957 3.930 4.901 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.703 3.882 3.532 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.625 5.095 5.595 1.00 0.00 C ATOM 811 CE1 PHE A 48 8.142 4.959 2.886 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.068 6.170 4.941 1.00 0.00 C ATOM 813 CZ PHE A 48 7.827 6.103 3.590 1.00 0.00 C ATOM 0 H PHE A 48 7.537 2.503 7.082 1.00 0.00 H new ATOM 0 HA PHE A 48 8.411 1.214 4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.833 3.025 6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.520 2.485 5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.949 2.991 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.808 5.153 6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.948 4.909 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.820 7.067 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.390 6.948 3.078 1.00 0.00 H new ATOM 823 N THR A 49 10.173 -0.404 5.383 1.00 0.00 N ATOM 824 CA THR A 49 11.111 -1.465 5.755 1.00 0.00 C ATOM 825 C THR A 49 12.250 -0.905 6.644 1.00 0.00 C ATOM 826 O THR A 49 12.853 0.117 6.279 1.00 0.00 O ATOM 827 CB THR A 49 11.716 -2.099 4.459 1.00 0.00 C ATOM 828 OG1 THR A 49 12.074 -1.048 3.546 1.00 0.00 O ATOM 829 CG2 THR A 49 10.747 -3.069 3.758 1.00 0.00 C ATOM 0 H THR A 49 10.111 -0.260 4.375 1.00 0.00 H new ATOM 0 HA THR A 49 10.574 -2.225 6.323 1.00 0.00 H new ATOM 0 HB THR A 49 12.591 -2.677 4.758 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.448 -0.293 4.047 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.222 -3.477 2.866 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.492 -3.882 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.840 -2.535 3.474 1.00 0.00 H new ATOM 960 N TYR A 59 7.024 9.008 7.791 1.00 0.00 N ATOM 961 CA TYR A 59 6.002 8.047 7.366 1.00 0.00 C ATOM 962 C TYR A 59 5.026 8.762 6.444 1.00 0.00 C ATOM 963 O TYR A 59 4.524 9.849 6.772 1.00 0.00 O ATOM 964 CB TYR A 59 5.264 7.387 8.559 1.00 0.00 C ATOM 965 CG TYR A 59 6.057 6.235 9.180 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.203 5.024 8.494 1.00 0.00 C ATOM 967 CD2 TYR A 59 6.665 6.350 10.427 1.00 0.00 C ATOM 968 CE1 TYR A 59 6.916 3.978 9.033 1.00 0.00 C ATOM 969 CE2 TYR A 59 7.379 5.297 10.967 1.00 0.00 C ATOM 970 CZ TYR A 59 7.501 4.116 10.266 1.00 0.00 C ATOM 971 OH TYR A 59 8.206 3.061 10.808 1.00 0.00 O ATOM 0 HA TYR A 59 6.493 7.230 6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.068 8.141 9.322 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.296 7.016 8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.747 4.908 7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.578 7.274 10.980 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.015 3.051 8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.841 5.399 11.938 1.00 0.00 H new ATOM 0 HH TYR A 59 8.559 3.320 11.685 1.00 0.00 H new ATOM 981 N VAL A 60 4.753 8.133 5.310 1.00 0.00 N ATOM 982 CA VAL A 60 3.805 8.634 4.323 1.00 0.00 C ATOM 983 C VAL A 60 2.543 7.772 4.401 1.00 0.00 C ATOM 984 O VAL A 60 2.588 6.634 4.883 1.00 0.00 O ATOM 985 CB VAL A 60 4.416 8.634 2.868 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.676 9.529 2.790 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.729 7.207 2.367 1.00 0.00 C ATOM 0 H VAL A 60 5.189 7.249 5.045 1.00 0.00 H new ATOM 0 HA VAL A 60 3.561 9.673 4.545 1.00 0.00 H new ATOM 0 HB VAL A 60 3.656 9.051 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.074 9.509 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.412 10.553 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.430 9.157 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.147 7.258 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.449 6.736 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.812 6.618 2.349 1.00 0.00 H new ATOM 997 N TRP A 61 1.410 8.339 3.989 1.00 0.00 N ATOM 998 CA TRP A 61 0.095 7.675 4.080 1.00 0.00 C ATOM 999 C TRP A 61 -0.875 8.289 3.070 1.00 0.00 C ATOM 1000 O TRP A 61 -0.528 9.234 2.387 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.459 7.776 5.531 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.658 9.188 6.042 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.305 10.045 6.502 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.906 9.888 6.171 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.265 11.227 6.900 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.619 11.156 6.706 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.231 9.562 5.871 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.610 12.094 6.963 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.217 10.490 6.125 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.902 11.747 6.663 1.00 0.00 C ATOM 0 H TRP A 61 1.370 9.273 3.581 1.00 0.00 H new ATOM 0 HA TRP A 61 0.210 6.618 3.838 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.413 7.251 5.577 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.224 7.255 6.202 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.361 9.823 6.545 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.238 12.029 7.279 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.478 8.600 5.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.372 13.060 7.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.246 10.247 5.907 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.695 12.457 6.845 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.076 7.723 2.961 1.00 0.00 N ATOM 1022 CA PHE A 62 -3.118 8.221 2.043 1.00 0.00 C ATOM 1023 C PHE A 62 -4.501 7.765 2.514 1.00 0.00 C ATOM 1024 O PHE A 62 -4.633 6.676 3.069 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.834 7.758 0.580 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.624 6.249 0.411 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.361 5.677 0.606 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.681 5.399 0.081 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.169 4.319 0.472 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.481 4.041 -0.050 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.227 3.502 0.145 1.00 0.00 C ATOM 0 H PHE A 62 -2.361 6.907 3.503 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.100 9.311 2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.667 8.067 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.947 8.277 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.525 6.309 0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.668 5.810 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.187 3.895 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.309 3.397 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.075 2.438 0.041 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.525 8.596 2.272 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.911 8.283 2.659 1.00 0.00 C ATOM 1043 C ASN A 63 -7.606 7.560 1.491 1.00 0.00 C ATOM 1044 O ASN A 63 -7.515 7.998 0.333 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.683 9.561 3.111 1.00 0.00 C ATOM 1046 CG ASN A 63 -8.028 10.541 1.984 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -9.116 10.499 1.418 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -7.111 11.418 1.644 1.00 0.00 N ATOM 0 H ASN A 63 -5.419 9.497 1.806 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.905 7.619 3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.607 9.255 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.084 10.084 3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.296 12.084 0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.214 11.433 2.130 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.251 6.421 1.790 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.906 5.572 0.775 1.00 0.00 C ATOM 1057 C ILE A 64 -10.432 5.762 0.787 1.00 0.00 C ATOM 1058 O ILE A 64 -11.040 5.964 -0.269 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.539 4.042 0.961 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.868 3.535 2.408 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.052 3.802 0.619 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.629 2.055 2.652 1.00 0.00 C ATOM 0 H ILE A 64 -8.335 6.061 2.741 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.527 5.891 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.155 3.466 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.269 4.104 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.913 3.757 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.814 2.747 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.866 4.089 -0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.425 4.401 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.888 1.810 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.249 1.470 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.579 1.822 2.476 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.038 5.736 1.988 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.487 5.642 2.123 1.00 0.00 C ATOM 1076 C GLY A 65 -12.984 4.251 1.733 1.00 0.00 C ATOM 1077 O GLY A 65 -13.134 3.377 2.599 1.00 0.00 O ATOM 0 H GLY A 65 -10.537 5.779 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.775 5.860 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.964 6.393 1.493 1.00 0.00 H new ATOM 1081 N SER A 66 -13.174 4.033 0.415 1.00 0.00 N ATOM 1082 CA SER A 66 -13.566 2.733 -0.136 1.00 0.00 C ATOM 1083 C SER A 66 -12.374 1.751 -0.065 1.00 0.00 C ATOM 1084 O SER A 66 -11.456 1.769 -0.911 1.00 0.00 O ATOM 1085 CB SER A 66 -14.078 2.879 -1.578 1.00 0.00 C ATOM 1086 OG SER A 66 -14.463 1.622 -2.103 1.00 0.00 O ATOM 0 H SER A 66 -13.058 4.759 -0.292 1.00 0.00 H new ATOM 0 HA SER A 66 -14.384 2.331 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.926 3.563 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.299 3.316 -2.203 1.00 0.00 H new ATOM 0 HG SER A 66 -14.025 1.481 -2.968 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.397 0.945 1.003 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.412 -0.121 1.267 1.00 0.00 C ATOM 1094 C VAL A 67 -11.337 -1.103 0.092 1.00 0.00 C ATOM 1095 O VAL A 67 -10.253 -1.547 -0.276 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.740 -0.933 2.580 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.543 -1.825 2.989 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -12.159 0.004 3.730 1.00 0.00 C ATOM 0 H VAL A 67 -13.114 1.014 1.725 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.453 0.381 1.399 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.587 -1.585 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.792 -2.375 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.323 -2.529 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.669 -1.200 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.378 -0.587 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.348 0.699 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.048 0.563 3.438 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.516 -1.410 -0.489 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.655 -2.352 -1.615 1.00 0.00 C ATOM 1110 C ASP A 68 -11.815 -1.902 -2.815 1.00 0.00 C ATOM 1111 O ASP A 68 -11.148 -2.718 -3.439 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.141 -2.489 -2.046 1.00 0.00 C ATOM 1113 CG ASP A 68 -15.068 -2.931 -0.904 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.975 -4.091 -0.457 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -15.890 -2.117 -0.435 1.00 0.00 O ATOM 0 H ASP A 68 -13.403 -1.007 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.294 -3.322 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.488 -1.532 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.211 -3.210 -2.861 1.00 0.00 H new ATOM 1120 N THR A 69 -11.843 -0.579 -3.102 1.00 0.00 N ATOM 1121 CA THR A 69 -11.075 0.019 -4.205 1.00 0.00 C ATOM 1122 C THR A 69 -9.565 -0.126 -3.940 1.00 0.00 C ATOM 1123 O THR A 69 -8.820 -0.502 -4.843 1.00 0.00 O ATOM 1124 CB THR A 69 -11.430 1.525 -4.402 1.00 0.00 C ATOM 1125 OG1 THR A 69 -12.848 1.669 -4.539 1.00 0.00 O ATOM 1126 CG2 THR A 69 -10.732 2.139 -5.635 1.00 0.00 C ATOM 0 H THR A 69 -12.398 0.096 -2.575 1.00 0.00 H new ATOM 0 HA THR A 69 -11.340 -0.514 -5.118 1.00 0.00 H new ATOM 0 HB THR A 69 -11.074 2.061 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.070 2.616 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.012 3.188 -5.727 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.651 2.061 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.039 1.601 -6.532 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.138 0.186 -2.687 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.739 -0.007 -2.239 1.00 0.00 C ATOM 1136 C PHE A 70 -7.261 -1.446 -2.505 1.00 0.00 C ATOM 1137 O PHE A 70 -6.204 -1.639 -3.090 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.590 0.342 -0.727 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.278 -0.132 -0.086 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.050 0.410 -0.478 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.271 -1.151 0.878 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.864 -0.046 0.074 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.086 -1.604 1.420 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.886 -1.051 1.022 1.00 0.00 C ATOM 0 H PHE A 70 -9.749 0.574 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.111 0.671 -2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.667 1.423 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.425 -0.099 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.026 1.194 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.205 -1.587 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.923 0.384 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.098 -2.393 2.157 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.961 -1.405 1.453 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.068 -2.428 -2.058 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.740 -3.862 -2.143 1.00 0.00 C ATOM 1156 C GLU A 71 -7.628 -4.308 -3.604 1.00 0.00 C ATOM 1157 O GLU A 71 -6.669 -4.976 -3.973 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.813 -4.702 -1.408 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.927 -4.404 0.097 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.106 -5.140 0.738 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -9.939 -6.306 1.142 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -11.216 -4.576 0.800 1.00 0.00 O ATOM 0 H GLU A 71 -8.973 -2.245 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.776 -4.022 -1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.781 -4.524 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.584 -5.759 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.003 -4.696 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.045 -3.331 0.246 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.615 -3.893 -4.424 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.681 -4.223 -5.858 1.00 0.00 C ATOM 1171 C ARG A 72 -7.440 -3.713 -6.609 1.00 0.00 C ATOM 1172 O ARG A 72 -6.808 -4.470 -7.352 1.00 0.00 O ATOM 1173 CB ARG A 72 -9.969 -3.631 -6.493 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.279 -4.347 -6.098 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.515 -3.706 -6.754 1.00 0.00 C ATOM 1176 NE ARG A 72 -12.400 -3.684 -8.233 1.00 0.00 N ATOM 1177 CZ ARG A 72 -12.401 -2.580 -9.004 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -12.527 -1.373 -8.461 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -12.236 -2.699 -10.313 1.00 0.00 N ATOM 0 H ARG A 72 -9.393 -3.316 -4.105 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.707 -5.309 -5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.046 -2.581 -6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.869 -3.662 -7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.219 -5.396 -6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.392 -4.322 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.409 -4.260 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.638 -2.688 -6.383 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.313 -4.583 -8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.624 -1.276 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.526 -0.544 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.110 -3.622 -10.729 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.235 -1.868 -10.905 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.104 -2.424 -6.388 1.00 0.00 N ATOM 1194 CA ASN A 73 -5.966 -1.757 -7.046 1.00 0.00 C ATOM 1195 C ASN A 73 -4.652 -2.378 -6.582 1.00 0.00 C ATOM 1196 O ASN A 73 -3.780 -2.631 -7.400 1.00 0.00 O ATOM 1197 CB ASN A 73 -5.964 -0.233 -6.757 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.172 0.506 -7.328 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -7.752 0.109 -8.345 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -7.556 1.585 -6.674 1.00 0.00 N ATOM 0 H ASN A 73 -7.616 -1.818 -5.747 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.070 -1.898 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.932 -0.078 -5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.055 0.204 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.357 2.123 -7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.052 1.881 -5.838 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.547 -2.622 -5.259 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.373 -3.246 -4.620 1.00 0.00 C ATOM 1209 C LEU A 74 -3.067 -4.609 -5.258 1.00 0.00 C ATOM 1210 O LEU A 74 -1.934 -4.862 -5.644 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.612 -3.411 -3.094 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.419 -3.988 -2.265 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.202 -3.038 -2.287 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.849 -4.318 -0.822 1.00 0.00 C ATOM 0 H LEU A 74 -5.286 -2.387 -4.597 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.514 -2.593 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.876 -2.437 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.475 -4.062 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.112 -4.920 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.392 -3.471 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.870 -2.896 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.484 -2.075 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.998 -4.717 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.205 -3.412 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.648 -5.059 -0.841 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.101 -5.458 -5.381 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.970 -6.823 -5.911 1.00 0.00 C ATOM 1228 C GLU A 75 -3.588 -6.819 -7.398 1.00 0.00 C ATOM 1229 O GLU A 75 -2.656 -7.514 -7.791 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.276 -7.632 -5.663 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.587 -7.916 -4.174 1.00 0.00 C ATOM 1232 CD GLU A 75 -4.540 -8.823 -3.501 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -3.420 -8.353 -3.193 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -4.834 -10.011 -3.268 1.00 0.00 O ATOM 0 H GLU A 75 -5.055 -5.214 -5.114 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.158 -7.314 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.114 -7.086 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.205 -8.582 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.641 -6.971 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.568 -8.384 -4.097 1.00 0.00 H new ATOM 1241 N THR A 76 -4.314 -6.029 -8.212 1.00 0.00 N ATOM 1242 CA THR A 76 -4.081 -5.939 -9.673 1.00 0.00 C ATOM 1243 C THR A 76 -2.641 -5.441 -9.948 1.00 0.00 C ATOM 1244 O THR A 76 -1.919 -5.989 -10.785 1.00 0.00 O ATOM 1245 CB THR A 76 -5.131 -4.988 -10.353 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.466 -5.367 -9.958 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.043 -5.038 -11.889 1.00 0.00 C ATOM 0 H THR A 76 -5.076 -5.437 -7.881 1.00 0.00 H new ATOM 0 HA THR A 76 -4.201 -6.933 -10.104 1.00 0.00 H new ATOM 0 HB THR A 76 -4.906 -3.973 -10.025 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.637 -5.057 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.786 -4.366 -12.318 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.047 -4.728 -12.207 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.233 -6.055 -12.231 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.259 -4.407 -9.185 1.00 0.00 N ATOM 1256 CA LEU A 77 -0.909 -3.813 -9.186 1.00 0.00 C ATOM 1257 C LEU A 77 0.174 -4.855 -8.843 1.00 0.00 C ATOM 1258 O LEU A 77 1.130 -5.019 -9.593 1.00 0.00 O ATOM 1259 CB LEU A 77 -0.857 -2.649 -8.173 1.00 0.00 C ATOM 1260 CG LEU A 77 0.500 -1.905 -8.029 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.920 -1.249 -9.362 1.00 0.00 C ATOM 1262 CD2 LEU A 77 0.432 -0.884 -6.875 1.00 0.00 C ATOM 0 H LEU A 77 -2.894 -3.947 -8.533 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.704 -3.442 -10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.616 -1.919 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.137 -3.038 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 77 1.272 -2.633 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.873 -0.736 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.024 -2.017 -10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.160 -0.530 -9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.390 -0.371 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.353 -0.155 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.211 -1.403 -5.942 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.005 -5.553 -7.706 1.00 0.00 N ATOM 1275 CA GLN A 78 0.998 -6.487 -7.164 1.00 0.00 C ATOM 1276 C GLN A 78 1.207 -7.684 -8.111 1.00 0.00 C ATOM 1277 O GLN A 78 2.346 -8.042 -8.406 1.00 0.00 O ATOM 1278 CB GLN A 78 0.592 -6.946 -5.731 1.00 0.00 C ATOM 1279 CG GLN A 78 0.875 -5.897 -4.629 1.00 0.00 C ATOM 1280 CD GLN A 78 0.429 -6.319 -3.219 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.082 -5.986 -2.224 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.713 -6.998 -3.109 1.00 0.00 N ATOM 0 H GLN A 78 -0.849 -5.485 -7.138 1.00 0.00 H new ATOM 0 HA GLN A 78 1.953 -5.968 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.471 -7.186 -5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.127 -7.864 -5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.944 -5.687 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.372 -4.967 -4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.233 -7.261 -3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.067 -7.255 -2.187 1.00 0.00 H new ATOM 1291 N GLN A 79 0.096 -8.258 -8.615 1.00 0.00 N ATOM 1292 CA GLN A 79 0.127 -9.385 -9.582 1.00 0.00 C ATOM 1293 C GLN A 79 0.859 -8.970 -10.879 1.00 0.00 C ATOM 1294 O GLN A 79 1.607 -9.761 -11.461 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.313 -9.861 -9.919 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.098 -10.471 -8.741 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.554 -10.763 -9.111 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.892 -11.854 -9.562 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -4.421 -9.775 -8.960 1.00 0.00 N ATOM 0 H GLN A 79 -0.847 -7.958 -8.367 1.00 0.00 H new ATOM 0 HA GLN A 79 0.669 -10.209 -9.119 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.876 -9.013 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.256 -10.600 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.613 -11.394 -8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.070 -9.786 -7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.112 -8.879 -8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.398 -9.909 -9.221 1.00 0.00 H new ATOM 1308 N GLU A 80 0.634 -7.707 -11.302 1.00 0.00 N ATOM 1309 CA GLU A 80 1.250 -7.116 -12.488 1.00 0.00 C ATOM 1310 C GLU A 80 2.774 -6.961 -12.300 1.00 0.00 C ATOM 1311 O GLU A 80 3.558 -7.232 -13.217 1.00 0.00 O ATOM 1312 CB GLU A 80 0.590 -5.739 -12.747 1.00 0.00 C ATOM 1313 CG GLU A 80 1.131 -4.995 -13.961 1.00 0.00 C ATOM 1314 CD GLU A 80 0.573 -3.572 -14.094 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.489 -3.393 -14.722 1.00 0.00 O ATOM 1316 OE2 GLU A 80 1.192 -2.626 -13.560 1.00 0.00 O ATOM 0 H GLU A 80 0.007 -7.067 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 80 1.094 -7.771 -13.345 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.483 -5.883 -12.874 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.725 -5.114 -11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.218 -4.948 -13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.890 -5.559 -14.862 1.00 0.00 H new ATOM 1323 N LEU A 81 3.175 -6.535 -11.089 1.00 0.00 N ATOM 1324 CA LEU A 81 4.589 -6.304 -10.734 1.00 0.00 C ATOM 1325 C LEU A 81 5.260 -7.595 -10.219 1.00 0.00 C ATOM 1326 O LEU A 81 6.432 -7.580 -9.835 1.00 0.00 O ATOM 1327 CB LEU A 81 4.697 -5.170 -9.668 1.00 0.00 C ATOM 1328 CG LEU A 81 4.073 -3.790 -10.058 1.00 0.00 C ATOM 1329 CD1 LEU A 81 4.364 -2.719 -8.982 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.532 -3.331 -11.463 1.00 0.00 C ATOM 0 H LEU A 81 2.527 -6.340 -10.326 1.00 0.00 H new ATOM 0 HA LEU A 81 5.117 -5.995 -11.636 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.218 -5.515 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.751 -5.016 -9.438 1.00 0.00 H new ATOM 0 HG LEU A 81 2.992 -3.921 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.917 -1.771 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.939 -3.035 -8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.442 -2.594 -8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.077 -2.369 -11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.617 -3.233 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.225 -4.068 -12.205 1.00 0.00 H new ATOM 1342 N GLY A 82 4.502 -8.707 -10.182 1.00 0.00 N ATOM 1343 CA GLY A 82 5.017 -9.995 -9.714 1.00 0.00 C ATOM 1344 C GLY A 82 5.076 -10.120 -8.188 1.00 0.00 C ATOM 1345 O GLY A 82 5.406 -11.193 -7.677 1.00 0.00 O ATOM 0 H GLY A 82 3.525 -8.732 -10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.389 -10.793 -10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.017 -10.145 -10.120 1.00 0.00 H new ATOM 1349 N ILE A 83 4.742 -9.023 -7.469 1.00 0.00 N ATOM 1350 CA ILE A 83 4.707 -8.964 -5.994 1.00 0.00 C ATOM 1351 C ILE A 83 3.557 -9.846 -5.472 1.00 0.00 C ATOM 1352 O ILE A 83 2.391 -9.590 -5.764 1.00 0.00 O ATOM 1353 CB ILE A 83 4.540 -7.470 -5.509 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.771 -6.621 -5.975 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.320 -7.378 -3.974 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.743 -5.149 -5.590 1.00 0.00 C ATOM 0 H ILE A 83 4.485 -8.139 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 83 5.647 -9.342 -5.593 1.00 0.00 H new ATOM 0 HB ILE A 83 3.642 -7.057 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.675 -7.068 -5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.848 -6.692 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.210 -6.333 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.418 -7.927 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.177 -7.810 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.642 -4.658 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.864 -4.675 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.703 -5.058 -4.505 1.00 0.00 H new ATOM 1368 N GLU A 84 3.906 -10.897 -4.722 1.00 0.00 N ATOM 1369 CA GLU A 84 2.943 -11.916 -4.267 1.00 0.00 C ATOM 1370 C GLU A 84 3.515 -12.704 -3.076 1.00 0.00 C ATOM 1371 O GLU A 84 4.739 -12.856 -2.956 1.00 0.00 O ATOM 1372 CB GLU A 84 2.593 -12.899 -5.417 1.00 0.00 C ATOM 1373 CG GLU A 84 3.811 -13.641 -5.995 1.00 0.00 C ATOM 1374 CD GLU A 84 3.429 -14.679 -7.047 1.00 0.00 C ATOM 1375 OE1 GLU A 84 2.880 -15.732 -6.669 1.00 0.00 O ATOM 1376 OE2 GLU A 84 3.656 -14.443 -8.251 1.00 0.00 O ATOM 0 H GLU A 84 4.862 -11.069 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 84 2.035 -11.400 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.874 -13.632 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.103 -12.346 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.495 -12.917 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.349 -14.133 -5.185 1.00 0.00 H new ATOM 1383 N GLY A 85 2.593 -13.135 -2.191 1.00 0.00 N ATOM 1384 CA GLY A 85 2.855 -14.079 -1.095 1.00 0.00 C ATOM 1385 C GLY A 85 4.027 -13.704 -0.198 1.00 0.00 C ATOM 1386 O GLY A 85 3.867 -12.954 0.772 1.00 0.00 O ATOM 0 H GLY A 85 1.622 -12.826 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.958 -14.161 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.042 -15.065 -1.520 1.00 0.00 H new ATOM 1390 N GLU A 86 5.214 -14.188 -0.585 1.00 0.00 N ATOM 1391 CA GLU A 86 6.464 -14.019 0.171 1.00 0.00 C ATOM 1392 C GLU A 86 6.883 -12.538 0.199 1.00 0.00 C ATOM 1393 O GLU A 86 7.286 -12.016 1.242 1.00 0.00 O ATOM 1394 CB GLU A 86 7.619 -14.877 -0.449 1.00 0.00 C ATOM 1395 CG GLU A 86 7.405 -16.417 -0.427 1.00 0.00 C ATOM 1396 CD GLU A 86 6.303 -16.935 -1.376 1.00 0.00 C ATOM 1397 OE1 GLU A 86 6.560 -17.065 -2.588 1.00 0.00 O ATOM 1398 OE2 GLU A 86 5.169 -17.182 -0.920 1.00 0.00 O ATOM 0 H GLU A 86 5.336 -14.718 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 86 6.282 -14.361 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.764 -14.564 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.542 -14.650 0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.345 -16.903 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.159 -16.720 0.591 1.00 0.00 H new ATOM 1405 N ASN A 87 6.789 -11.881 -0.971 1.00 0.00 N ATOM 1406 CA ASN A 87 7.201 -10.471 -1.150 1.00 0.00 C ATOM 1407 C ASN A 87 6.000 -9.514 -1.083 1.00 0.00 C ATOM 1408 O ASN A 87 6.183 -8.294 -1.184 1.00 0.00 O ATOM 1409 CB ASN A 87 7.942 -10.301 -2.499 1.00 0.00 C ATOM 1410 CG ASN A 87 9.211 -11.147 -2.593 1.00 0.00 C ATOM 1411 OD1 ASN A 87 10.291 -10.713 -2.191 1.00 0.00 O ATOM 1412 ND2 ASN A 87 9.094 -12.357 -3.115 1.00 0.00 N ATOM 0 H ASN A 87 6.425 -12.310 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 87 7.874 -10.216 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.270 -10.572 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.201 -9.251 -2.635 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.913 -12.960 -3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.185 -12.687 -3.439 1.00 0.00 H new ATOM 1419 N ARG A 88 4.777 -10.063 -0.909 1.00 0.00 N ATOM 1420 CA ARG A 88 3.550 -9.245 -0.868 1.00 0.00 C ATOM 1421 C ARG A 88 3.488 -8.416 0.417 1.00 0.00 C ATOM 1422 O ARG A 88 3.706 -8.947 1.511 1.00 0.00 O ATOM 1423 CB ARG A 88 2.275 -10.110 -0.963 1.00 0.00 C ATOM 1424 CG ARG A 88 0.981 -9.281 -1.047 1.00 0.00 C ATOM 1425 CD ARG A 88 -0.291 -10.123 -1.016 1.00 0.00 C ATOM 1426 NE ARG A 88 -1.470 -9.271 -1.144 1.00 0.00 N ATOM 1427 CZ ARG A 88 -2.091 -8.633 -0.128 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -1.665 -8.753 1.125 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -3.144 -7.879 -0.380 1.00 0.00 N ATOM 0 H ARG A 88 4.616 -11.064 -0.796 1.00 0.00 H new ATOM 0 HA ARG A 88 3.590 -8.584 -1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.345 -10.752 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.223 -10.765 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.958 -8.574 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.995 -8.694 -1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.272 -10.852 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.340 -10.685 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.857 -9.147 -2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.854 -9.336 1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.149 -8.262 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.484 -7.781 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.618 -7.394 0.382 1.00 0.00 H new ATOM 1443 N VAL A 89 3.141 -7.132 0.260 1.00 0.00 N ATOM 1444 CA VAL A 89 3.035 -6.181 1.369 1.00 0.00 C ATOM 1445 C VAL A 89 1.765 -6.508 2.216 1.00 0.00 C ATOM 1446 O VAL A 89 0.642 -6.386 1.701 1.00 0.00 O ATOM 1447 CB VAL A 89 2.978 -4.700 0.830 1.00 0.00 C ATOM 1448 CG1 VAL A 89 3.031 -3.693 1.995 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.111 -4.425 -0.198 1.00 0.00 C ATOM 0 H VAL A 89 2.925 -6.723 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 89 3.918 -6.272 2.001 1.00 0.00 H new ATOM 0 HB VAL A 89 2.028 -4.571 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.990 -2.678 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.182 -3.859 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.958 -3.829 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.042 -3.395 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.079 -4.582 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.007 -5.104 -1.044 1.00 0.00 H new ATOM 1459 N PRO A 90 1.929 -6.979 3.508 1.00 0.00 N ATOM 1460 CA PRO A 90 0.786 -7.379 4.377 1.00 0.00 C ATOM 1461 C PRO A 90 -0.102 -6.187 4.798 1.00 0.00 C ATOM 1462 O PRO A 90 0.391 -5.094 5.073 1.00 0.00 O ATOM 1463 CB PRO A 90 1.475 -8.050 5.597 1.00 0.00 C ATOM 1464 CG PRO A 90 2.838 -7.425 5.653 1.00 0.00 C ATOM 1465 CD PRO A 90 3.232 -7.177 4.210 1.00 0.00 C ATOM 0 HA PRO A 90 0.093 -8.042 3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.918 -7.869 6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.539 -9.131 5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.819 -6.494 6.220 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.552 -8.085 6.146 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.873 -6.300 4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.784 -8.021 3.796 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.416 -6.444 4.856 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.450 -5.435 5.132 1.00 0.00 C ATOM 1475 C VAL A 91 -2.975 -5.627 6.573 1.00 0.00 C ATOM 1476 O VAL A 91 -3.524 -6.688 6.900 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.610 -5.576 4.079 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.720 -4.528 4.299 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.046 -5.506 2.638 1.00 0.00 C ATOM 0 H VAL A 91 -1.798 -7.378 4.709 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.033 -4.432 5.048 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.069 -6.554 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.500 -4.662 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.147 -4.653 5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.298 -3.527 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.862 -5.605 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.547 -4.548 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.331 -6.315 2.487 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.791 -4.594 7.430 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.065 -4.676 8.880 1.00 0.00 C ATOM 1491 C VAL A 92 -4.139 -3.638 9.279 1.00 0.00 C ATOM 1492 O VAL A 92 -3.826 -2.456 9.447 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.756 -4.443 9.743 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -1.999 -4.837 11.225 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.533 -5.190 9.146 1.00 0.00 C ATOM 0 H VAL A 92 -2.448 -3.681 7.132 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.430 -5.682 9.086 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.521 -3.379 9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.088 -4.670 11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.805 -4.229 11.636 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.275 -5.890 11.281 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.344 -5.005 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.739 -6.260 9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.345 -4.830 8.135 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.400 -4.085 9.408 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.523 -3.224 9.833 1.00 0.00 C ATOM 1507 C TYR A 93 -6.454 -2.953 11.341 1.00 0.00 C ATOM 1508 O TYR A 93 -6.684 -3.852 12.155 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.873 -3.881 9.475 1.00 0.00 C ATOM 1510 CG TYR A 93 -8.098 -4.016 7.971 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.684 -5.157 7.277 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -8.698 -2.989 7.236 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.865 -5.268 5.916 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -8.883 -3.102 5.876 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.462 -4.238 5.220 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.634 -4.346 3.855 1.00 0.00 O ATOM 0 H TYR A 93 -5.672 -5.050 9.222 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.444 -2.274 9.304 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.921 -4.869 9.933 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.682 -3.291 9.905 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.214 -5.965 7.817 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.022 -2.092 7.743 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.541 -6.158 5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.357 -2.303 5.325 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.746 -5.289 3.613 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.131 -1.709 11.699 1.00 0.00 N ATOM 1527 CA ILE A 94 -5.981 -1.266 13.099 1.00 0.00 C ATOM 1528 C ILE A 94 -7.071 -0.217 13.401 1.00 0.00 C ATOM 1529 O ILE A 94 -7.614 0.363 12.477 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.548 -0.661 13.331 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.459 -1.734 12.987 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -4.386 -0.117 14.778 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.022 -1.244 13.032 1.00 0.00 C ATOM 0 H ILE A 94 -5.963 -0.966 11.021 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.095 -2.116 13.772 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.415 0.191 12.664 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.562 -2.567 13.682 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.661 -2.124 11.989 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.384 0.293 14.902 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.123 0.665 14.957 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.537 -0.928 15.491 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.350 -2.064 12.778 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.892 -0.433 12.316 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.792 -0.883 14.034 1.00 0.00 H new