USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 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 Single : A 19 THR OG1 : rot -55:sc= 0.745 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.094) USER MOD Single : A 26 ASN : amide:sc= -0.688 K(o=-0.69,f=-5.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.452 USER MOD Single : A 29 SER OG : rot 84:sc= 0.714 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0203 (180deg=-0.261) USER MOD Single : A 47 THR OG1 : rot 121:sc= 0.569 USER MOD Single : A 49 THR OG1 : rot 29:sc= 0.131 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.0667 X(o=0.067,f=-0.13) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.64) USER MOD Single : A 76 THR OG1 : rot 84:sc= 0.843 USER MOD Single : A 78 GLN : amide:sc= -0.592 K(o=-0.59,f=-0.056) USER MOD Single : A 79 GLN : amide:sc= -1.2 K(o=-1.2,f=0.004) USER MOD Single : A 87 ASN : amide:sc= -1.04 K(o=-1,f=-0.013) USER MOD Single : A 93 TYR OH : rot -168:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.886 12.111 6.273 1.00 0.00 N ATOM 246 CA ARG A 16 3.819 12.751 4.940 1.00 0.00 C ATOM 247 C ARG A 16 2.634 12.180 4.142 1.00 0.00 C ATOM 248 O ARG A 16 2.642 11.005 3.789 1.00 0.00 O ATOM 249 CB ARG A 16 5.137 12.519 4.146 1.00 0.00 C ATOM 250 CG ARG A 16 6.413 13.074 4.807 1.00 0.00 C ATOM 251 CD ARG A 16 6.367 14.599 5.004 1.00 0.00 C ATOM 252 NE ARG A 16 7.553 15.092 5.720 1.00 0.00 N ATOM 253 CZ ARG A 16 7.597 16.196 6.484 1.00 0.00 C ATOM 254 NH1 ARG A 16 6.518 16.960 6.649 1.00 0.00 N ATOM 255 NH2 ARG A 16 8.728 16.519 7.097 1.00 0.00 N ATOM 0 HA ARG A 16 3.682 13.823 5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.265 11.448 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.032 12.972 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.555 12.591 5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.276 12.817 4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.299 15.089 4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.469 14.867 5.560 1.00 0.00 H new ATOM 0 HE ARG A 16 8.413 14.551 5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.641 16.710 6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.569 17.795 7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.554 15.931 6.986 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.772 17.355 7.679 1.00 0.00 H new ATOM 269 N GLU A 17 1.622 13.012 3.865 1.00 0.00 N ATOM 270 CA GLU A 17 0.463 12.609 3.055 1.00 0.00 C ATOM 271 C GLU A 17 0.843 12.631 1.557 1.00 0.00 C ATOM 272 O GLU A 17 1.442 13.594 1.060 1.00 0.00 O ATOM 273 CB GLU A 17 -0.754 13.537 3.310 1.00 0.00 C ATOM 274 CG GLU A 17 -2.046 13.106 2.569 1.00 0.00 C ATOM 275 CD GLU A 17 -3.169 14.150 2.658 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.066 15.196 1.976 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.149 13.942 3.405 1.00 0.00 O ATOM 0 H GLU A 17 1.582 13.977 4.193 1.00 0.00 H new ATOM 0 HA GLU A 17 0.178 11.598 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.955 13.568 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.494 14.551 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.812 12.922 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.400 12.164 2.987 1.00 0.00 H new ATOM 284 N ILE A 18 0.474 11.554 0.861 1.00 0.00 N ATOM 285 CA ILE A 18 0.703 11.332 -0.576 1.00 0.00 C ATOM 286 C ILE A 18 -0.621 10.858 -1.209 1.00 0.00 C ATOM 287 O ILE A 18 -1.652 10.792 -0.531 1.00 0.00 O ATOM 288 CB ILE A 18 1.818 10.234 -0.807 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.398 8.857 -0.177 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.189 10.705 -0.264 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.314 7.690 -0.512 1.00 0.00 C ATOM 0 H ILE A 18 -0.016 10.774 1.300 1.00 0.00 H new ATOM 0 HA ILE A 18 1.041 12.261 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 18 1.922 10.088 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.357 8.968 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.389 8.615 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.935 9.929 -0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.489 11.618 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.109 10.899 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.941 6.785 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.338 7.544 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.321 7.903 -0.153 1.00 0.00 H new ATOM 303 N THR A 19 -0.590 10.545 -2.512 1.00 0.00 N ATOM 304 CA THR A 19 -1.684 9.825 -3.191 1.00 0.00 C ATOM 305 C THR A 19 -1.282 8.348 -3.399 1.00 0.00 C ATOM 306 O THR A 19 -0.117 7.975 -3.163 1.00 0.00 O ATOM 307 CB THR A 19 -2.035 10.481 -4.570 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.927 10.373 -5.482 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.425 11.963 -4.421 1.00 0.00 C ATOM 0 H THR A 19 0.190 10.781 -3.126 1.00 0.00 H new ATOM 0 HA THR A 19 -2.570 9.881 -2.559 1.00 0.00 H new ATOM 0 HB THR A 19 -2.893 9.938 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.125 10.755 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.660 12.378 -5.401 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.297 12.046 -3.773 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.594 12.516 -3.983 1.00 0.00 H new ATOM 317 N TRP A 20 -2.266 7.521 -3.817 1.00 0.00 N ATOM 318 CA TRP A 20 -2.031 6.129 -4.261 1.00 0.00 C ATOM 319 C TRP A 20 -0.946 6.088 -5.362 1.00 0.00 C ATOM 320 O TRP A 20 -0.106 5.196 -5.359 1.00 0.00 O ATOM 321 CB TRP A 20 -3.358 5.487 -4.769 1.00 0.00 C ATOM 322 CG TRP A 20 -3.207 4.102 -5.388 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.176 3.795 -6.721 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.076 2.849 -4.701 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.040 2.444 -6.893 1.00 0.00 N ATOM 326 CE2 TRP A 20 -2.976 1.843 -5.672 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.031 2.487 -3.367 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.838 0.498 -5.342 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.897 1.156 -3.035 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.801 0.176 -4.018 1.00 0.00 C ATOM 0 H TRP A 20 -3.246 7.800 -3.856 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.675 5.549 -3.409 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.055 5.421 -3.934 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.806 6.152 -5.507 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.248 4.515 -7.522 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.994 1.964 -7.792 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.100 3.238 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.763 -0.262 -6.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.866 0.869 -1.994 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.695 -0.859 -3.727 1.00 0.00 H new ATOM 341 N LYS A 21 -0.986 7.072 -6.289 1.00 0.00 N ATOM 342 CA LYS A 21 -0.013 7.197 -7.399 1.00 0.00 C ATOM 343 C LYS A 21 1.440 7.276 -6.877 1.00 0.00 C ATOM 344 O LYS A 21 2.308 6.525 -7.352 1.00 0.00 O ATOM 345 CB LYS A 21 -0.363 8.432 -8.282 1.00 0.00 C ATOM 346 CG LYS A 21 0.512 8.599 -9.545 1.00 0.00 C ATOM 347 CD LYS A 21 0.086 9.809 -10.413 1.00 0.00 C ATOM 348 CE LYS A 21 1.026 10.071 -11.602 1.00 0.00 C ATOM 349 NZ LYS A 21 1.040 8.947 -12.575 1.00 0.00 N ATOM 0 H LYS A 21 -1.696 7.804 -6.288 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.082 6.300 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.406 8.357 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.273 9.332 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.553 8.720 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.455 7.690 -10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.923 9.640 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.048 10.700 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.717 10.984 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.037 10.239 -11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.688 9.172 -13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.360 8.080 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.081 8.801 -12.951 1.00 0.00 H new ATOM 363 N ASP A 22 1.692 8.159 -5.879 1.00 0.00 N ATOM 364 CA ASP A 22 3.027 8.290 -5.245 1.00 0.00 C ATOM 365 C ASP A 22 3.436 6.978 -4.561 1.00 0.00 C ATOM 366 O ASP A 22 4.608 6.581 -4.632 1.00 0.00 O ATOM 367 CB ASP A 22 3.052 9.429 -4.194 1.00 0.00 C ATOM 368 CG ASP A 22 2.717 10.816 -4.764 1.00 0.00 C ATOM 369 OD1 ASP A 22 3.563 11.404 -5.472 1.00 0.00 O ATOM 370 OD2 ASP A 22 1.611 11.333 -4.504 1.00 0.00 O ATOM 0 H ASP A 22 0.988 8.790 -5.496 1.00 0.00 H new ATOM 0 HA ASP A 22 3.733 8.528 -6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.342 9.193 -3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.041 9.465 -3.737 1.00 0.00 H new ATOM 375 N PHE A 23 2.448 6.334 -3.892 1.00 0.00 N ATOM 376 CA PHE A 23 2.633 5.031 -3.226 1.00 0.00 C ATOM 377 C PHE A 23 3.201 3.988 -4.205 1.00 0.00 C ATOM 378 O PHE A 23 4.223 3.376 -3.916 1.00 0.00 O ATOM 379 CB PHE A 23 1.313 4.519 -2.577 1.00 0.00 C ATOM 380 CG PHE A 23 1.357 3.058 -2.114 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.242 2.647 -1.119 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.528 2.096 -2.691 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.292 1.327 -0.720 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.582 0.777 -2.290 1.00 0.00 C ATOM 385 CZ PHE A 23 1.462 0.393 -1.304 1.00 0.00 C ATOM 0 H PHE A 23 1.503 6.707 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 23 3.356 5.178 -2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.075 5.151 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.501 4.635 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.896 3.370 -0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.167 2.388 -3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.984 1.024 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.066 0.046 -2.750 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.503 -0.639 -0.988 1.00 0.00 H new ATOM 395 N VAL A 24 2.536 3.825 -5.359 1.00 0.00 N ATOM 396 CA VAL A 24 2.920 2.827 -6.375 1.00 0.00 C ATOM 397 C VAL A 24 4.371 3.037 -6.835 1.00 0.00 C ATOM 398 O VAL A 24 5.208 2.152 -6.683 1.00 0.00 O ATOM 399 CB VAL A 24 1.943 2.879 -7.613 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.322 1.844 -8.699 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.486 2.687 -7.150 1.00 0.00 C ATOM 0 H VAL A 24 1.719 4.379 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 24 2.845 1.842 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 24 2.040 3.864 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.622 1.917 -9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.332 2.045 -9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.279 0.840 -8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.178 2.725 -8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.385 1.720 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.219 3.480 -6.452 1.00 0.00 H new ATOM 411 N ASN A 25 4.649 4.247 -7.324 1.00 0.00 N ATOM 412 CA ASN A 25 5.919 4.588 -7.997 1.00 0.00 C ATOM 413 C ASN A 25 7.117 4.563 -7.030 1.00 0.00 C ATOM 414 O ASN A 25 8.063 3.786 -7.206 1.00 0.00 O ATOM 415 CB ASN A 25 5.801 6.004 -8.631 1.00 0.00 C ATOM 416 CG ASN A 25 4.624 6.147 -9.592 1.00 0.00 C ATOM 417 OD1 ASN A 25 4.283 5.219 -10.318 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.964 7.294 -9.569 1.00 0.00 N ATOM 0 H ASN A 25 3.998 5.030 -7.267 1.00 0.00 H new ATOM 0 HA ASN A 25 6.098 3.835 -8.765 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.701 6.742 -7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.724 6.232 -9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.147 7.424 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.272 8.047 -8.954 1.00 0.00 H new ATOM 425 N ASN A 26 7.035 5.394 -5.982 1.00 0.00 N ATOM 426 CA ASN A 26 8.184 5.743 -5.127 1.00 0.00 C ATOM 427 C ASN A 26 8.404 4.714 -4.006 1.00 0.00 C ATOM 428 O ASN A 26 9.493 4.656 -3.427 1.00 0.00 O ATOM 429 CB ASN A 26 7.963 7.147 -4.485 1.00 0.00 C ATOM 430 CG ASN A 26 7.707 8.286 -5.484 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.160 8.092 -6.565 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.091 9.497 -5.123 1.00 0.00 N ATOM 0 H ASN A 26 6.166 5.847 -5.700 1.00 0.00 H new ATOM 0 HA ASN A 26 9.068 5.750 -5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.117 7.088 -3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.839 7.398 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.934 10.289 -5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.544 9.640 -4.221 1.00 0.00 H new ATOM 439 N TYR A 27 7.362 3.930 -3.670 1.00 0.00 N ATOM 440 CA TYR A 27 7.376 3.086 -2.460 1.00 0.00 C ATOM 441 C TYR A 27 7.196 1.584 -2.802 1.00 0.00 C ATOM 442 O TYR A 27 8.142 0.786 -2.641 1.00 0.00 O ATOM 443 CB TYR A 27 6.291 3.599 -1.461 1.00 0.00 C ATOM 444 CG TYR A 27 6.462 5.087 -1.098 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.408 5.493 -0.169 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.716 6.089 -1.724 1.00 0.00 C ATOM 447 CE1 TYR A 27 7.595 6.831 0.127 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.896 7.427 -1.425 1.00 0.00 C ATOM 449 CZ TYR A 27 6.840 7.791 -0.505 1.00 0.00 C ATOM 450 OH TYR A 27 7.037 9.119 -0.210 1.00 0.00 O ATOM 0 H TYR A 27 6.503 3.864 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 27 8.353 3.167 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.303 3.448 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.332 3.001 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.010 4.750 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.978 5.811 -2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.336 7.123 0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.295 8.179 -1.915 1.00 0.00 H new ATOM 0 HH TYR A 27 6.424 9.667 -0.744 1.00 0.00 H new ATOM 460 N LEU A 28 5.979 1.212 -3.266 1.00 0.00 N ATOM 461 CA LEU A 28 5.594 -0.193 -3.515 1.00 0.00 C ATOM 462 C LEU A 28 6.504 -0.861 -4.565 1.00 0.00 C ATOM 463 O LEU A 28 7.004 -1.972 -4.347 1.00 0.00 O ATOM 464 CB LEU A 28 4.108 -0.278 -3.961 1.00 0.00 C ATOM 465 CG LEU A 28 3.551 -1.721 -4.211 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.580 -2.589 -2.933 1.00 0.00 C ATOM 467 CD2 LEU A 28 2.134 -1.672 -4.804 1.00 0.00 C ATOM 0 H LEU A 28 5.238 1.880 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 28 5.718 -0.735 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.492 0.202 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.990 0.300 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 28 4.213 -2.194 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.184 -3.580 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.607 -2.680 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.970 -2.120 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.773 -2.687 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.468 -1.156 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.155 -1.137 -5.754 1.00 0.00 H new ATOM 479 N SER A 29 6.704 -0.173 -5.703 1.00 0.00 N ATOM 480 CA SER A 29 7.551 -0.664 -6.800 1.00 0.00 C ATOM 481 C SER A 29 9.054 -0.702 -6.429 1.00 0.00 C ATOM 482 O SER A 29 9.833 -1.373 -7.107 1.00 0.00 O ATOM 483 CB SER A 29 7.308 0.193 -8.059 1.00 0.00 C ATOM 484 OG SER A 29 5.951 0.091 -8.481 1.00 0.00 O ATOM 0 H SER A 29 6.283 0.738 -5.886 1.00 0.00 H new ATOM 0 HA SER A 29 7.268 -1.697 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.552 1.234 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.970 -0.134 -8.861 1.00 0.00 H new ATOM 0 HG SER A 29 5.403 0.728 -7.977 1.00 0.00 H new ATOM 490 N LYS A 30 9.467 0.010 -5.356 1.00 0.00 N ATOM 491 CA LYS A 30 10.859 -0.045 -4.849 1.00 0.00 C ATOM 492 C LYS A 30 10.993 -1.048 -3.676 1.00 0.00 C ATOM 493 O LYS A 30 12.086 -1.218 -3.130 1.00 0.00 O ATOM 494 CB LYS A 30 11.341 1.375 -4.424 1.00 0.00 C ATOM 495 CG LYS A 30 11.381 2.404 -5.582 1.00 0.00 C ATOM 496 CD LYS A 30 12.050 3.739 -5.177 1.00 0.00 C ATOM 497 CE LYS A 30 12.065 4.775 -6.314 1.00 0.00 C ATOM 498 NZ LYS A 30 12.699 6.059 -5.893 1.00 0.00 N ATOM 0 H LYS A 30 8.857 0.630 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 30 11.498 -0.399 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.682 1.751 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.338 1.294 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.921 1.974 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.364 2.601 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.523 4.157 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.074 3.544 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.605 4.367 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.044 4.966 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.688 6.729 -6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.169 6.462 -5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.682 5.882 -5.603 1.00 0.00 H new ATOM 512 N GLY A 31 9.876 -1.718 -3.323 1.00 0.00 N ATOM 513 CA GLY A 31 9.843 -2.736 -2.260 1.00 0.00 C ATOM 514 C GLY A 31 10.252 -2.231 -0.877 1.00 0.00 C ATOM 515 O GLY A 31 10.644 -3.025 -0.009 1.00 0.00 O ATOM 0 H GLY A 31 8.972 -1.566 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.834 -3.145 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.503 -3.557 -2.542 1.00 0.00 H new ATOM 519 N VAL A 32 10.148 -0.903 -0.667 1.00 0.00 N ATOM 520 CA VAL A 32 10.544 -0.258 0.602 1.00 0.00 C ATOM 521 C VAL A 32 9.367 -0.199 1.591 1.00 0.00 C ATOM 522 O VAL A 32 9.499 0.371 2.672 1.00 0.00 O ATOM 523 CB VAL A 32 11.131 1.186 0.363 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.330 1.148 -0.611 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.044 2.164 -0.124 1.00 0.00 C ATOM 0 H VAL A 32 9.790 -0.252 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 32 11.330 -0.874 1.039 1.00 0.00 H new ATOM 0 HB VAL A 32 11.495 1.555 1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.713 2.158 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.116 0.518 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.007 0.741 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.484 3.149 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.624 1.803 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.254 2.232 0.624 1.00 0.00 H new ATOM 535 N VAL A 33 8.222 -0.809 1.219 1.00 0.00 N ATOM 536 CA VAL A 33 7.017 -0.843 2.067 1.00 0.00 C ATOM 537 C VAL A 33 6.984 -2.162 2.851 1.00 0.00 C ATOM 538 O VAL A 33 7.112 -3.241 2.260 1.00 0.00 O ATOM 539 CB VAL A 33 5.691 -0.704 1.229 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.464 -0.504 2.147 1.00 0.00 C ATOM 541 CG2 VAL A 33 5.805 0.434 0.209 1.00 0.00 C ATOM 0 H VAL A 33 8.109 -1.289 0.326 1.00 0.00 H new ATOM 0 HA VAL A 33 7.069 0.008 2.746 1.00 0.00 H new ATOM 0 HB VAL A 33 5.545 -1.635 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.565 -0.411 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.364 -1.361 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.596 0.402 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.877 0.510 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.989 1.373 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.630 0.230 -0.473 1.00 0.00 H new ATOM 551 N ASP A 34 6.808 -2.059 4.176 1.00 0.00 N ATOM 552 CA ASP A 34 6.825 -3.203 5.095 1.00 0.00 C ATOM 553 C ASP A 34 5.411 -3.767 5.253 1.00 0.00 C ATOM 554 O ASP A 34 5.194 -4.972 5.130 1.00 0.00 O ATOM 555 CB ASP A 34 7.377 -2.748 6.472 1.00 0.00 C ATOM 556 CG ASP A 34 7.578 -3.911 7.462 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.594 -4.625 7.354 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.721 -4.120 8.346 1.00 0.00 O ATOM 0 H ASP A 34 6.648 -1.167 4.644 1.00 0.00 H new ATOM 0 HA ASP A 34 7.468 -3.985 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.329 -2.238 6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.691 -2.022 6.909 1.00 0.00 H new ATOM 563 N ARG A 35 4.467 -2.857 5.540 1.00 0.00 N ATOM 564 CA ARG A 35 3.054 -3.187 5.795 1.00 0.00 C ATOM 565 C ARG A 35 2.184 -1.922 5.694 1.00 0.00 C ATOM 566 O ARG A 35 2.690 -0.793 5.783 1.00 0.00 O ATOM 567 CB ARG A 35 2.892 -3.889 7.175 1.00 0.00 C ATOM 568 CG ARG A 35 3.480 -3.112 8.371 1.00 0.00 C ATOM 569 CD ARG A 35 3.428 -3.912 9.686 1.00 0.00 C ATOM 570 NE ARG A 35 4.223 -5.154 9.636 1.00 0.00 N ATOM 571 CZ ARG A 35 4.228 -6.108 10.591 1.00 0.00 C ATOM 572 NH1 ARG A 35 3.470 -5.987 11.690 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.993 -7.182 10.438 1.00 0.00 N ATOM 0 H ARG A 35 4.665 -1.858 5.603 1.00 0.00 H new ATOM 0 HA ARG A 35 2.713 -3.888 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.831 -4.060 7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.369 -4.868 7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.515 -2.847 8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.932 -2.178 8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.793 -3.286 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.391 -4.159 9.914 1.00 0.00 H new ATOM 0 HE ARG A 35 4.814 -5.303 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.878 -5.165 11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.485 -6.717 12.403 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.571 -7.282 9.604 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.003 -7.908 11.155 1.00 0.00 H new ATOM 587 N LEU A 36 0.877 -2.134 5.473 1.00 0.00 N ATOM 588 CA LEU A 36 -0.096 -1.064 5.209 1.00 0.00 C ATOM 589 C LEU A 36 -1.218 -1.067 6.269 1.00 0.00 C ATOM 590 O LEU A 36 -2.133 -1.884 6.204 1.00 0.00 O ATOM 591 CB LEU A 36 -0.664 -1.282 3.772 1.00 0.00 C ATOM 592 CG LEU A 36 0.356 -1.090 2.602 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.239 -1.523 1.246 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.876 0.361 2.552 1.00 0.00 C ATOM 0 H LEU A 36 0.462 -3.066 5.473 1.00 0.00 H new ATOM 0 HA LEU A 36 0.386 -0.088 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.072 -2.291 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.495 -0.593 3.622 1.00 0.00 H new ATOM 0 HG LEU A 36 1.206 -1.742 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.501 -1.374 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.515 -2.577 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.124 -0.925 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.583 0.466 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.039 1.042 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.374 0.602 3.491 1.00 0.00 H new ATOM 606 N GLU A 37 -1.141 -0.126 7.234 1.00 0.00 N ATOM 607 CA GLU A 37 -2.115 -0.002 8.337 1.00 0.00 C ATOM 608 C GLU A 37 -3.333 0.810 7.876 1.00 0.00 C ATOM 609 O GLU A 37 -3.253 2.030 7.718 1.00 0.00 O ATOM 610 CB GLU A 37 -1.473 0.669 9.598 1.00 0.00 C ATOM 611 CG GLU A 37 -0.512 -0.220 10.432 1.00 0.00 C ATOM 612 CD GLU A 37 0.876 -0.489 9.821 1.00 0.00 C ATOM 613 OE1 GLU A 37 1.203 0.027 8.732 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.661 -1.205 10.471 1.00 0.00 O ATOM 0 H GLU A 37 -0.398 0.572 7.269 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.432 -1.007 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.926 1.555 9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.276 1.011 10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.371 0.249 11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.000 -1.179 10.608 1.00 0.00 H new ATOM 621 N VAL A 38 -4.469 0.134 7.703 1.00 0.00 N ATOM 622 CA VAL A 38 -5.706 0.773 7.264 1.00 0.00 C ATOM 623 C VAL A 38 -6.412 1.315 8.518 1.00 0.00 C ATOM 624 O VAL A 38 -7.184 0.601 9.176 1.00 0.00 O ATOM 625 CB VAL A 38 -6.627 -0.225 6.470 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.886 0.489 5.957 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.858 -0.905 5.311 1.00 0.00 C ATOM 0 H VAL A 38 -4.556 -0.870 7.863 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.483 1.586 6.573 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.939 -1.011 7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.509 -0.219 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.447 0.889 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.597 1.305 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.524 -1.588 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.496 -0.145 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.012 -1.462 5.713 1.00 0.00 H new ATOM 637 N VAL A 39 -6.102 2.575 8.861 1.00 0.00 N ATOM 638 CA VAL A 39 -6.510 3.184 10.125 1.00 0.00 C ATOM 639 C VAL A 39 -7.925 3.756 9.994 1.00 0.00 C ATOM 640 O VAL A 39 -8.180 4.635 9.155 1.00 0.00 O ATOM 641 CB VAL A 39 -5.497 4.298 10.573 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.908 4.932 11.926 1.00 0.00 C ATOM 643 CG2 VAL A 39 -4.044 3.749 10.614 1.00 0.00 C ATOM 0 H VAL A 39 -5.559 3.198 8.263 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.510 2.413 10.896 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.527 5.092 9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.184 5.698 12.204 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.896 5.383 11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.934 4.161 12.696 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.364 4.541 10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.987 2.922 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.760 3.398 9.622 1.00 0.00 H new ATOM 653 N ASN A 40 -8.827 3.213 10.829 1.00 0.00 N ATOM 654 CA ASN A 40 -10.254 3.563 10.886 1.00 0.00 C ATOM 655 C ASN A 40 -10.970 3.381 9.541 1.00 0.00 C ATOM 656 O ASN A 40 -12.043 3.966 9.323 1.00 0.00 O ATOM 657 CB ASN A 40 -10.448 5.005 11.439 1.00 0.00 C ATOM 658 CG ASN A 40 -9.866 5.177 12.837 1.00 0.00 C ATOM 659 OD1 ASN A 40 -9.786 4.228 13.613 1.00 0.00 O ATOM 660 ND2 ASN A 40 -9.476 6.380 13.172 1.00 0.00 N ATOM 0 H ASN A 40 -8.572 2.494 11.506 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.721 2.861 11.576 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.976 5.717 10.762 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.512 5.243 11.460 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.092 6.551 14.101 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.556 7.147 12.504 1.00 0.00 H new ATOM 667 N LYS A 41 -10.382 2.524 8.671 1.00 0.00 N ATOM 668 CA LYS A 41 -10.830 2.304 7.280 1.00 0.00 C ATOM 669 C LYS A 41 -10.828 3.590 6.415 1.00 0.00 C ATOM 670 O LYS A 41 -11.259 3.568 5.261 1.00 0.00 O ATOM 671 CB LYS A 41 -12.207 1.574 7.260 1.00 0.00 C ATOM 672 CG LYS A 41 -12.125 0.095 7.713 1.00 0.00 C ATOM 673 CD LYS A 41 -13.491 -0.623 7.691 1.00 0.00 C ATOM 674 CE LYS A 41 -14.449 -0.093 8.765 1.00 0.00 C ATOM 675 NZ LYS A 41 -13.904 -0.279 10.137 1.00 0.00 N ATOM 0 H LYS A 41 -9.571 1.959 8.923 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.093 1.654 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.902 2.107 7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.617 1.615 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.430 -0.439 7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.716 0.053 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.947 -0.500 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.339 -1.692 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.639 0.966 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.407 -0.607 8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.665 -0.150 10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.511 -1.238 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.154 0.420 10.310 1.00 0.00 H new ATOM 689 N ARG A 42 -10.272 4.675 6.963 1.00 0.00 N ATOM 690 CA ARG A 42 -10.286 6.012 6.356 1.00 0.00 C ATOM 691 C ARG A 42 -9.080 6.204 5.433 1.00 0.00 C ATOM 692 O ARG A 42 -9.203 6.760 4.334 1.00 0.00 O ATOM 693 CB ARG A 42 -10.281 7.062 7.496 1.00 0.00 C ATOM 694 CG ARG A 42 -10.106 8.534 7.055 1.00 0.00 C ATOM 695 CD ARG A 42 -10.214 9.510 8.238 1.00 0.00 C ATOM 696 NE ARG A 42 -11.578 9.570 8.800 1.00 0.00 N ATOM 697 CZ ARG A 42 -11.896 9.449 10.098 1.00 0.00 C ATOM 698 NH1 ARG A 42 -10.963 9.251 11.029 1.00 0.00 N ATOM 699 NH2 ARG A 42 -13.165 9.562 10.461 1.00 0.00 N ATOM 0 H ARG A 42 -9.789 4.649 7.861 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.181 6.132 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.218 6.977 8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.479 6.813 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.135 8.655 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.863 8.781 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.516 9.208 9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.915 10.506 7.911 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.346 9.716 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.981 9.188 10.761 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.231 9.162 12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.883 9.738 9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.424 9.473 11.443 1.00 0.00 H new ATOM 713 N PHE A 43 -7.922 5.703 5.869 1.00 0.00 N ATOM 714 CA PHE A 43 -6.661 5.881 5.144 1.00 0.00 C ATOM 715 C PHE A 43 -5.736 4.693 5.402 1.00 0.00 C ATOM 716 O PHE A 43 -6.040 3.831 6.230 1.00 0.00 O ATOM 717 CB PHE A 43 -5.974 7.223 5.530 1.00 0.00 C ATOM 718 CG PHE A 43 -5.477 7.319 6.969 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.305 7.790 7.982 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.166 6.962 7.303 1.00 0.00 C ATOM 721 CE1 PHE A 43 -5.842 7.901 9.273 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.710 7.073 8.592 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.546 7.545 9.579 1.00 0.00 C ATOM 0 H PHE A 43 -7.831 5.165 6.731 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.879 5.924 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.128 7.383 4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.679 8.035 5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.322 8.072 7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.503 6.593 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.497 8.268 10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.696 6.790 8.833 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.186 7.636 10.593 1.00 0.00 H new ATOM 733 N VAL A 44 -4.605 4.677 4.692 1.00 0.00 N ATOM 734 CA VAL A 44 -3.598 3.616 4.772 1.00 0.00 C ATOM 735 C VAL A 44 -2.238 4.222 5.125 1.00 0.00 C ATOM 736 O VAL A 44 -1.822 5.203 4.509 1.00 0.00 O ATOM 737 CB VAL A 44 -3.494 2.846 3.409 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.346 1.825 3.407 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.829 2.164 3.075 1.00 0.00 C ATOM 0 H VAL A 44 -4.359 5.415 4.033 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.898 2.911 5.548 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.270 3.581 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.313 1.317 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.401 2.340 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.509 1.093 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.740 1.634 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.083 1.456 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.613 2.917 2.997 1.00 0.00 H new ATOM 749 N ARG A 45 -1.558 3.606 6.101 1.00 0.00 N ATOM 750 CA ARG A 45 -0.228 3.997 6.556 1.00 0.00 C ATOM 751 C ARG A 45 0.807 3.123 5.845 1.00 0.00 C ATOM 752 O ARG A 45 0.859 1.907 6.054 1.00 0.00 O ATOM 753 CB ARG A 45 -0.130 3.828 8.090 1.00 0.00 C ATOM 754 CG ARG A 45 1.266 4.106 8.696 1.00 0.00 C ATOM 755 CD ARG A 45 1.265 4.024 10.233 1.00 0.00 C ATOM 756 NE ARG A 45 0.270 4.944 10.830 1.00 0.00 N ATOM 757 CZ ARG A 45 -0.594 4.635 11.813 1.00 0.00 C ATOM 758 NH1 ARG A 45 -0.616 3.409 12.344 1.00 0.00 N ATOM 759 NH2 ARG A 45 -1.433 5.567 12.256 1.00 0.00 N ATOM 0 H ARG A 45 -1.932 2.802 6.605 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.039 5.044 6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.852 4.496 8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.424 2.810 8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.982 3.388 8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.602 5.096 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.047 3.002 10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.258 4.267 10.611 1.00 0.00 H new ATOM 0 HE ARG A 45 0.237 5.895 10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.028 2.694 12.004 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.276 3.188 13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.416 6.503 11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.094 5.346 13.001 1.00 0.00 H new ATOM 773 N VAL A 46 1.597 3.760 4.994 1.00 0.00 N ATOM 774 CA VAL A 46 2.709 3.126 4.288 1.00 0.00 C ATOM 775 C VAL A 46 3.912 3.112 5.234 1.00 0.00 C ATOM 776 O VAL A 46 4.507 4.163 5.520 1.00 0.00 O ATOM 777 CB VAL A 46 3.064 3.905 2.971 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.175 3.204 2.154 1.00 0.00 C ATOM 779 CG2 VAL A 46 1.804 4.161 2.121 1.00 0.00 C ATOM 0 H VAL A 46 1.485 4.748 4.768 1.00 0.00 H new ATOM 0 HA VAL A 46 2.432 2.112 3.999 1.00 0.00 H new ATOM 0 HB VAL A 46 3.466 4.873 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.384 3.782 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.080 3.132 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.845 2.203 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.080 4.702 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.348 3.209 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.092 4.754 2.695 1.00 0.00 H new ATOM 789 N THR A 47 4.232 1.927 5.742 1.00 0.00 N ATOM 790 CA THR A 47 5.356 1.727 6.653 1.00 0.00 C ATOM 791 C THR A 47 6.587 1.333 5.833 1.00 0.00 C ATOM 792 O THR A 47 6.457 0.689 4.796 1.00 0.00 O ATOM 793 CB THR A 47 4.995 0.618 7.689 1.00 0.00 C ATOM 794 OG1 THR A 47 3.787 0.994 8.358 1.00 0.00 O ATOM 795 CG2 THR A 47 6.096 0.364 8.731 1.00 0.00 C ATOM 0 H THR A 47 3.716 1.072 5.533 1.00 0.00 H new ATOM 0 HA THR A 47 5.573 2.645 7.200 1.00 0.00 H new ATOM 0 HB THR A 47 4.876 -0.313 7.135 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.106 0.304 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.774 -0.419 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.010 0.051 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.286 1.280 9.290 1.00 0.00 H new ATOM 803 N PHE A 48 7.758 1.786 6.263 1.00 0.00 N ATOM 804 CA PHE A 48 9.033 1.442 5.617 1.00 0.00 C ATOM 805 C PHE A 48 9.661 0.178 6.220 1.00 0.00 C ATOM 806 O PHE A 48 9.588 -0.051 7.432 1.00 0.00 O ATOM 807 CB PHE A 48 9.999 2.637 5.695 1.00 0.00 C ATOM 808 CG PHE A 48 9.474 3.852 4.938 1.00 0.00 C ATOM 809 CD1 PHE A 48 9.599 3.927 3.549 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.833 4.898 5.598 1.00 0.00 C ATOM 811 CE1 PHE A 48 9.109 5.010 2.854 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.339 5.979 4.892 1.00 0.00 C ATOM 813 CZ PHE A 48 8.478 6.037 3.524 1.00 0.00 C ATOM 0 H PHE A 48 7.858 2.403 7.069 1.00 0.00 H new ATOM 0 HA PHE A 48 8.832 1.220 4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.161 2.904 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.967 2.347 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.086 3.126 3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.721 4.864 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.219 5.055 1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.842 6.782 5.416 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.094 6.885 2.976 1.00 0.00 H new ATOM 823 N THR A 49 10.240 -0.654 5.332 1.00 0.00 N ATOM 824 CA THR A 49 10.996 -1.856 5.702 1.00 0.00 C ATOM 825 C THR A 49 12.241 -1.489 6.550 1.00 0.00 C ATOM 826 O THR A 49 13.016 -0.618 6.137 1.00 0.00 O ATOM 827 CB THR A 49 11.458 -2.628 4.417 1.00 0.00 C ATOM 828 OG1 THR A 49 12.129 -1.726 3.525 1.00 0.00 O ATOM 829 CG2 THR A 49 10.291 -3.290 3.670 1.00 0.00 C ATOM 0 H THR A 49 10.192 -0.503 4.324 1.00 0.00 H new ATOM 0 HA THR A 49 10.338 -2.493 6.294 1.00 0.00 H new ATOM 0 HB THR A 49 12.131 -3.419 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.557 -1.012 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.670 -3.809 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.796 -4.005 4.328 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.577 -2.527 3.361 1.00 0.00 H new ATOM 960 N TYR A 59 6.806 7.767 8.285 1.00 0.00 N ATOM 961 CA TYR A 59 5.896 7.014 7.412 1.00 0.00 C ATOM 962 C TYR A 59 5.116 7.981 6.500 1.00 0.00 C ATOM 963 O TYR A 59 4.880 9.156 6.855 1.00 0.00 O ATOM 964 CB TYR A 59 4.920 6.141 8.247 1.00 0.00 C ATOM 965 CG TYR A 59 3.976 6.932 9.163 1.00 0.00 C ATOM 966 CD1 TYR A 59 4.341 7.264 10.467 1.00 0.00 C ATOM 967 CD2 TYR A 59 2.719 7.356 8.721 1.00 0.00 C ATOM 968 CE1 TYR A 59 3.497 7.981 11.289 1.00 0.00 C ATOM 969 CE2 TYR A 59 1.881 8.071 9.542 1.00 0.00 C ATOM 970 CZ TYR A 59 2.274 8.384 10.824 1.00 0.00 C ATOM 971 OH TYR A 59 1.437 9.102 11.647 1.00 0.00 O ATOM 0 HA TYR A 59 6.491 6.347 6.788 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.321 5.537 7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.503 5.451 8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.305 6.953 10.841 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.401 7.117 7.717 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.800 8.224 12.297 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.913 8.388 9.182 1.00 0.00 H new ATOM 0 HH TYR A 59 0.609 9.313 11.168 1.00 0.00 H new ATOM 981 N VAL A 60 4.709 7.484 5.336 1.00 0.00 N ATOM 982 CA VAL A 60 3.842 8.231 4.417 1.00 0.00 C ATOM 983 C VAL A 60 2.452 7.567 4.431 1.00 0.00 C ATOM 984 O VAL A 60 2.315 6.461 4.958 1.00 0.00 O ATOM 985 CB VAL A 60 4.469 8.317 2.971 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.869 8.974 3.016 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.548 6.944 2.292 1.00 0.00 C ATOM 0 H VAL A 60 4.967 6.556 5.000 1.00 0.00 H new ATOM 0 HA VAL A 60 3.742 9.266 4.745 1.00 0.00 H new ATOM 0 HB VAL A 60 3.804 8.941 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.281 9.022 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.785 9.982 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.529 8.381 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.986 7.053 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.168 6.277 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.546 6.524 2.202 1.00 0.00 H new ATOM 997 N TRP A 61 1.414 8.248 3.919 1.00 0.00 N ATOM 998 CA TRP A 61 0.017 7.750 4.014 1.00 0.00 C ATOM 999 C TRP A 61 -0.873 8.394 2.951 1.00 0.00 C ATOM 1000 O TRP A 61 -0.574 9.479 2.469 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.569 8.019 5.436 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.728 9.482 5.794 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.265 10.366 6.084 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.957 10.219 5.904 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.264 11.596 6.375 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.626 11.529 6.272 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.301 9.891 5.741 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.588 12.511 6.477 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.259 10.866 5.934 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.900 12.163 6.303 1.00 0.00 C ATOM 0 H TRP A 61 1.507 9.141 3.436 1.00 0.00 H new ATOM 0 HA TRP A 61 0.037 6.674 3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.542 7.534 5.510 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.079 7.547 6.175 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.319 10.132 6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.271 12.427 6.627 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.590 8.887 5.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.310 13.514 6.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.302 10.621 5.797 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.671 12.905 6.454 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.999 7.733 2.631 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.955 8.218 1.617 1.00 0.00 C ATOM 1023 C PHE A 62 -4.389 7.840 2.015 1.00 0.00 C ATOM 1024 O PHE A 62 -4.616 6.767 2.583 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.602 7.669 0.200 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.490 6.146 0.106 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.277 5.505 0.351 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.596 5.356 -0.209 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.174 4.129 0.281 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.486 3.982 -0.278 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.276 3.369 -0.030 1.00 0.00 C ATOM 0 H PHE A 62 -2.272 6.851 3.065 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.885 9.305 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.363 8.006 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.656 8.108 -0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.405 6.092 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.550 5.825 -0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.225 3.649 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.351 3.385 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.194 2.293 -0.080 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.341 8.720 1.681 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.760 8.574 2.044 1.00 0.00 C ATOM 1043 C ASN A 63 -7.491 7.702 1.014 1.00 0.00 C ATOM 1044 O ASN A 63 -7.497 8.020 -0.182 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.421 9.971 2.153 1.00 0.00 C ATOM 1046 CG ASN A 63 -6.869 10.785 3.319 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -7.368 10.697 4.436 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -5.830 11.566 3.073 1.00 0.00 N ATOM 0 H ASN A 63 -5.147 9.565 1.144 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.830 8.079 3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.263 10.519 1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.498 9.852 2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.419 12.119 3.825 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.440 11.615 2.132 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.089 6.596 1.489 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.818 5.637 0.633 1.00 0.00 C ATOM 1057 C ILE A 64 -10.344 5.805 0.780 1.00 0.00 C ATOM 1058 O ILE A 64 -11.055 5.978 -0.218 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.404 4.142 0.941 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.595 3.780 2.452 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -6.950 3.887 0.502 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.364 2.329 2.803 1.00 0.00 C ATOM 0 H ILE A 64 -8.082 6.339 2.476 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.540 5.859 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.066 3.494 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.915 4.393 3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.608 4.051 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.680 2.854 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.856 4.068 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.283 4.559 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.521 2.184 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.062 1.704 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.342 2.051 2.546 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.840 5.798 2.032 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.264 5.631 2.311 1.00 0.00 C ATOM 1076 C GLY A 65 -12.725 4.202 2.023 1.00 0.00 C ATOM 1077 O GLY A 65 -13.028 3.439 2.939 1.00 0.00 O ATOM 0 H GLY A 65 -10.264 5.908 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.463 5.876 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.840 6.330 1.704 1.00 0.00 H new ATOM 1081 N SER A 66 -12.764 3.847 0.733 1.00 0.00 N ATOM 1082 CA SER A 66 -13.133 2.509 0.259 1.00 0.00 C ATOM 1083 C SER A 66 -11.928 1.538 0.351 1.00 0.00 C ATOM 1084 O SER A 66 -11.045 1.534 -0.524 1.00 0.00 O ATOM 1085 CB SER A 66 -13.638 2.634 -1.190 1.00 0.00 C ATOM 1086 OG SER A 66 -14.662 3.618 -1.300 1.00 0.00 O ATOM 0 H SER A 66 -12.536 4.493 -0.023 1.00 0.00 H new ATOM 0 HA SER A 66 -13.922 2.096 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.807 2.896 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.019 1.671 -1.529 1.00 0.00 H new ATOM 0 HG SER A 66 -14.961 3.676 -2.231 1.00 0.00 H new ATOM 1092 N VAL A 67 -11.879 0.767 1.458 1.00 0.00 N ATOM 1093 CA VAL A 67 -10.817 -0.243 1.712 1.00 0.00 C ATOM 1094 C VAL A 67 -10.867 -1.376 0.684 1.00 0.00 C ATOM 1095 O VAL A 67 -9.825 -1.912 0.301 1.00 0.00 O ATOM 1096 CB VAL A 67 -10.894 -0.851 3.162 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -9.628 -1.686 3.509 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.121 0.251 4.197 1.00 0.00 C ATOM 0 H VAL A 67 -12.572 0.823 2.204 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.870 0.289 1.618 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.745 -1.531 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.722 -2.087 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.528 -2.508 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.745 -1.049 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.171 -0.190 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.297 0.963 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.057 0.766 3.981 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.087 -1.721 0.238 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.302 -2.728 -0.808 1.00 0.00 C ATOM 1110 C ASP A 68 -11.570 -2.308 -2.095 1.00 0.00 C ATOM 1111 O ASP A 68 -10.841 -3.097 -2.677 1.00 0.00 O ATOM 1112 CB ASP A 68 -13.829 -2.927 -1.069 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.547 -1.668 -1.592 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.694 -0.695 -0.818 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.936 -1.630 -2.782 1.00 0.00 O ATOM 0 H ASP A 68 -12.949 -1.308 0.594 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.894 -3.682 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.961 -3.734 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.306 -3.246 -0.143 1.00 0.00 H new ATOM 1120 N THR A 69 -11.717 -1.019 -2.459 1.00 0.00 N ATOM 1121 CA THR A 69 -11.101 -0.428 -3.651 1.00 0.00 C ATOM 1122 C THR A 69 -9.563 -0.451 -3.524 1.00 0.00 C ATOM 1123 O THR A 69 -8.870 -0.856 -4.463 1.00 0.00 O ATOM 1124 CB THR A 69 -11.635 1.025 -3.860 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.073 0.993 -3.987 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.027 1.722 -5.091 1.00 0.00 C ATOM 0 H THR A 69 -12.275 -0.355 -1.923 1.00 0.00 H new ATOM 0 HA THR A 69 -11.371 -1.017 -4.527 1.00 0.00 H new ATOM 0 HB THR A 69 -11.335 1.604 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.410 1.904 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.439 2.727 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.945 1.782 -4.978 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.267 1.151 -5.988 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.059 -0.035 -2.338 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.626 -0.099 -1.975 1.00 0.00 C ATOM 1136 C PHE A 70 -7.019 -1.499 -2.247 1.00 0.00 C ATOM 1137 O PHE A 70 -6.015 -1.622 -2.963 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.446 0.318 -0.477 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.144 -0.149 0.187 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -4.904 0.335 -0.227 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.170 -1.107 1.205 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.734 -0.121 0.361 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.004 -1.560 1.783 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.789 -1.069 1.364 1.00 0.00 C ATOM 0 H PHE A 70 -9.643 0.358 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.081 0.601 -2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.497 1.405 -0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.286 -0.075 0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.854 1.073 -1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.118 -1.498 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.780 0.265 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.044 -2.302 2.567 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.877 -1.425 1.820 1.00 0.00 H new ATOM 1154 N GLU A 71 -7.662 -2.525 -1.670 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.188 -3.920 -1.711 1.00 0.00 C ATOM 1156 C GLU A 71 -7.230 -4.495 -3.132 1.00 0.00 C ATOM 1157 O GLU A 71 -6.283 -5.152 -3.549 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.041 -4.791 -0.762 1.00 0.00 C ATOM 1159 CG GLU A 71 -7.896 -4.438 0.730 1.00 0.00 C ATOM 1160 CD GLU A 71 -8.797 -5.297 1.622 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -8.534 -6.519 1.741 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -9.778 -4.770 2.188 1.00 0.00 O ATOM 0 H GLU A 71 -8.535 -2.410 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.149 -3.929 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.089 -4.695 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.767 -5.836 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.857 -4.570 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.140 -3.386 0.877 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.336 -4.228 -3.861 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.547 -4.724 -5.241 1.00 0.00 C ATOM 1171 C ARG A 72 -7.506 -4.139 -6.201 1.00 0.00 C ATOM 1172 O ARG A 72 -7.001 -4.845 -7.084 1.00 0.00 O ATOM 1173 CB ARG A 72 -9.979 -4.371 -5.729 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.111 -5.081 -4.962 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.507 -4.542 -5.328 1.00 0.00 C ATOM 1176 NE ARG A 72 -13.523 -4.945 -4.341 1.00 0.00 N ATOM 1177 CZ ARG A 72 -14.853 -4.849 -4.501 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -15.378 -4.370 -5.630 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -15.654 -5.221 -3.512 1.00 0.00 N ATOM 0 H ARG A 72 -9.109 -3.662 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.432 -5.808 -5.230 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.122 -3.294 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.061 -4.623 -6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.072 -6.150 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.949 -4.961 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.472 -3.454 -5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.792 -4.909 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.187 -5.331 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.767 -4.069 -6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.391 -4.304 -5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.258 -5.576 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.666 -5.153 -3.622 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.195 -2.841 -6.012 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.143 -2.150 -6.777 1.00 0.00 C ATOM 1195 C ASN A 73 -4.786 -2.776 -6.466 1.00 0.00 C ATOM 1196 O ASN A 73 -4.041 -3.087 -7.375 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.116 -0.622 -6.463 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.361 0.126 -6.941 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -7.985 -0.239 -7.938 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -7.734 1.176 -6.225 1.00 0.00 N ATOM 0 H ASN A 73 -7.664 -2.247 -5.328 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.363 -2.265 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.010 -0.483 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.236 -0.180 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.561 1.709 -6.494 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.194 1.451 -5.404 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.514 -2.984 -5.163 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.246 -3.549 -4.667 1.00 0.00 C ATOM 1209 C LEU A 74 -2.997 -4.974 -5.215 1.00 0.00 C ATOM 1210 O LEU A 74 -1.880 -5.285 -5.607 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.223 -3.542 -3.109 1.00 0.00 C ATOM 1212 CG LEU A 74 -1.878 -3.980 -2.430 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -0.712 -3.027 -2.779 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.044 -4.120 -0.900 1.00 0.00 C ATOM 0 H LEU A 74 -5.175 -2.762 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.436 -2.918 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.466 -2.536 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.016 -4.200 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.622 -4.960 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.198 -3.370 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.560 -3.018 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.951 -2.020 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.096 -4.425 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.351 -3.163 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.803 -4.872 -0.684 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.050 -5.813 -5.256 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.956 -7.209 -5.739 1.00 0.00 C ATOM 1228 C GLU A 75 -3.604 -7.273 -7.235 1.00 0.00 C ATOM 1229 O GLU A 75 -2.650 -7.955 -7.619 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.284 -7.960 -5.460 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.560 -8.251 -3.973 1.00 0.00 C ATOM 1232 CD GLU A 75 -4.523 -9.195 -3.338 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -3.472 -8.713 -2.851 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -4.738 -10.431 -3.341 1.00 0.00 O ATOM 0 H GLU A 75 -4.988 -5.546 -4.957 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.148 -7.697 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.109 -7.371 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.273 -8.904 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.572 -7.311 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.552 -8.692 -3.874 1.00 0.00 H new ATOM 1241 N THR A 76 -4.372 -6.534 -8.051 1.00 0.00 N ATOM 1242 CA THR A 76 -4.201 -6.490 -9.516 1.00 0.00 C ATOM 1243 C THR A 76 -2.837 -5.840 -9.878 1.00 0.00 C ATOM 1244 O THR A 76 -2.168 -6.233 -10.839 1.00 0.00 O ATOM 1245 CB THR A 76 -5.384 -5.684 -10.150 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.631 -6.154 -9.608 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.446 -5.799 -11.683 1.00 0.00 C ATOM 0 H THR A 76 -5.134 -5.946 -7.713 1.00 0.00 H new ATOM 0 HA THR A 76 -4.208 -7.505 -9.915 1.00 0.00 H new ATOM 0 HB THR A 76 -5.211 -4.636 -9.905 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.807 -5.704 -8.755 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.288 -5.217 -12.058 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.521 -5.417 -12.114 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.573 -6.844 -11.965 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.472 -4.821 -9.082 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.186 -4.107 -9.176 1.00 0.00 C ATOM 1257 C LEU A 77 -0.004 -5.037 -8.878 1.00 0.00 C ATOM 1258 O LEU A 77 1.003 -5.016 -9.586 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.190 -2.901 -8.208 1.00 0.00 C ATOM 1260 CG LEU A 77 0.019 -1.934 -8.274 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.244 -1.395 -9.701 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.169 -0.783 -7.274 1.00 0.00 C ATOM 0 H LEU A 77 -3.074 -4.463 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.066 -3.747 -10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.095 -2.323 -8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.260 -3.285 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 77 0.913 -2.495 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.101 -0.721 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.435 -2.227 -10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.644 -0.855 -10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.686 -0.110 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.079 -0.234 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.248 -1.187 -6.265 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.141 -5.859 -7.827 1.00 0.00 N ATOM 1275 CA GLN A 78 0.878 -6.856 -7.459 1.00 0.00 C ATOM 1276 C GLN A 78 0.988 -7.941 -8.545 1.00 0.00 C ATOM 1277 O GLN A 78 2.068 -8.497 -8.749 1.00 0.00 O ATOM 1278 CB GLN A 78 0.569 -7.461 -6.056 1.00 0.00 C ATOM 1279 CG GLN A 78 0.872 -6.495 -4.879 1.00 0.00 C ATOM 1280 CD GLN A 78 0.423 -7.000 -3.501 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.079 -6.726 -2.491 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.723 -7.681 -3.433 1.00 0.00 N ATOM 0 H GLN A 78 -0.954 -5.853 -7.212 1.00 0.00 H new ATOM 0 HA GLN A 78 1.848 -6.363 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.482 -7.748 -6.017 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.153 -8.372 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.945 -6.306 -4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.386 -5.540 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.242 -7.892 -4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.080 -7.990 -2.529 1.00 0.00 H new ATOM 1291 N GLN A 79 -0.124 -8.218 -9.248 1.00 0.00 N ATOM 1292 CA GLN A 79 -0.133 -9.156 -10.385 1.00 0.00 C ATOM 1293 C GLN A 79 0.690 -8.609 -11.574 1.00 0.00 C ATOM 1294 O GLN A 79 1.556 -9.319 -12.100 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.589 -9.480 -10.827 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.401 -10.322 -9.824 1.00 0.00 C ATOM 1297 CD GLN A 79 -1.807 -11.714 -9.597 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -2.138 -12.674 -10.293 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -0.918 -11.836 -8.637 1.00 0.00 N ATOM 0 H GLN A 79 -1.034 -7.803 -9.047 1.00 0.00 H new ATOM 0 HA GLN A 79 0.337 -10.081 -10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.117 -8.543 -11.003 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.555 -10.010 -11.779 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.452 -9.794 -8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.424 -10.424 -10.187 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.661 -11.025 -8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.485 -12.741 -8.455 1.00 0.00 H new ATOM 1308 N GLU A 80 0.446 -7.335 -11.967 1.00 0.00 N ATOM 1309 CA GLU A 80 1.113 -6.729 -13.146 1.00 0.00 C ATOM 1310 C GLU A 80 2.612 -6.473 -12.871 1.00 0.00 C ATOM 1311 O GLU A 80 3.442 -6.631 -13.769 1.00 0.00 O ATOM 1312 CB GLU A 80 0.399 -5.423 -13.616 1.00 0.00 C ATOM 1313 CG GLU A 80 0.396 -4.268 -12.598 1.00 0.00 C ATOM 1314 CD GLU A 80 -0.223 -2.972 -13.139 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -1.465 -2.893 -13.240 1.00 0.00 O ATOM 1316 OE2 GLU A 80 0.535 -2.019 -13.467 1.00 0.00 O ATOM 0 H GLU A 80 -0.203 -6.711 -11.489 1.00 0.00 H new ATOM 0 HA GLU A 80 1.036 -7.450 -13.960 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.879 -5.076 -14.531 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.633 -5.665 -13.869 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.153 -4.580 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.421 -4.068 -12.285 1.00 0.00 H new ATOM 1323 N LEU A 81 2.948 -6.089 -11.620 1.00 0.00 N ATOM 1324 CA LEU A 81 4.347 -5.892 -11.183 1.00 0.00 C ATOM 1325 C LEU A 81 5.057 -7.248 -10.947 1.00 0.00 C ATOM 1326 O LEU A 81 6.285 -7.309 -10.950 1.00 0.00 O ATOM 1327 CB LEU A 81 4.397 -5.051 -9.870 1.00 0.00 C ATOM 1328 CG LEU A 81 3.805 -3.603 -9.903 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.850 -2.948 -8.496 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.511 -2.726 -10.943 1.00 0.00 C ATOM 0 H LEU A 81 2.261 -5.908 -10.888 1.00 0.00 H new ATOM 0 HA LEU A 81 4.866 -5.357 -11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.871 -5.609 -9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.439 -4.979 -9.559 1.00 0.00 H new ATOM 0 HG LEU A 81 2.760 -3.686 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.432 -1.943 -8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.266 -3.547 -7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.883 -2.894 -8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.072 -1.728 -10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.572 -2.657 -10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.392 -3.168 -11.932 1.00 0.00 H new ATOM 1342 N GLY A 82 4.277 -8.328 -10.751 1.00 0.00 N ATOM 1343 CA GLY A 82 4.837 -9.644 -10.418 1.00 0.00 C ATOM 1344 C GLY A 82 5.394 -9.718 -8.992 1.00 0.00 C ATOM 1345 O GLY A 82 6.361 -10.445 -8.741 1.00 0.00 O ATOM 0 H GLY A 82 3.259 -8.311 -10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.064 -10.402 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.632 -9.883 -11.125 1.00 0.00 H new ATOM 1349 N ILE A 83 4.788 -8.933 -8.073 1.00 0.00 N ATOM 1350 CA ILE A 83 5.127 -8.917 -6.633 1.00 0.00 C ATOM 1351 C ILE A 83 4.747 -10.280 -6.003 1.00 0.00 C ATOM 1352 O ILE A 83 3.569 -10.533 -5.754 1.00 0.00 O ATOM 1353 CB ILE A 83 4.337 -7.759 -5.883 1.00 0.00 C ATOM 1354 CG1 ILE A 83 4.536 -6.360 -6.551 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.681 -7.692 -4.380 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.898 -5.710 -6.387 1.00 0.00 C ATOM 0 H ILE A 83 4.039 -8.284 -8.315 1.00 0.00 H new ATOM 0 HA ILE A 83 6.197 -8.738 -6.529 1.00 0.00 H new ATOM 0 HB ILE A 83 3.283 -8.020 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.334 -6.461 -7.617 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.785 -5.681 -6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.116 -6.885 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.422 -8.638 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.748 -7.505 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.905 -4.746 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.105 -5.562 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 83 6.663 -6.354 -6.820 1.00 0.00 H new ATOM 1368 N GLU A 84 5.735 -11.156 -5.768 1.00 0.00 N ATOM 1369 CA GLU A 84 5.489 -12.515 -5.217 1.00 0.00 C ATOM 1370 C GLU A 84 5.108 -12.481 -3.732 1.00 0.00 C ATOM 1371 O GLU A 84 5.287 -11.456 -3.094 1.00 0.00 O ATOM 1372 CB GLU A 84 6.712 -13.426 -5.483 1.00 0.00 C ATOM 1373 CG GLU A 84 7.028 -13.617 -6.981 1.00 0.00 C ATOM 1374 CD GLU A 84 5.843 -14.197 -7.788 1.00 0.00 C ATOM 1375 OE1 GLU A 84 4.998 -13.417 -8.291 1.00 0.00 O ATOM 1376 OE2 GLU A 84 5.748 -15.438 -7.914 1.00 0.00 O ATOM 0 H GLU A 84 6.719 -10.955 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 84 4.629 -12.938 -5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.585 -13.001 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.532 -14.402 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.315 -12.657 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.887 -14.281 -7.082 1.00 0.00 H new ATOM 1383 N GLY A 85 4.604 -13.623 -3.210 1.00 0.00 N ATOM 1384 CA GLY A 85 4.028 -13.721 -1.850 1.00 0.00 C ATOM 1385 C GLY A 85 4.951 -13.245 -0.729 1.00 0.00 C ATOM 1386 O GLY A 85 4.486 -12.708 0.287 1.00 0.00 O ATOM 0 H GLY A 85 4.586 -14.505 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.108 -13.137 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.754 -14.759 -1.660 1.00 0.00 H new ATOM 1390 N GLU A 86 6.263 -13.454 -0.934 1.00 0.00 N ATOM 1391 CA GLU A 86 7.325 -12.980 -0.026 1.00 0.00 C ATOM 1392 C GLU A 86 7.401 -11.438 -0.045 1.00 0.00 C ATOM 1393 O GLU A 86 7.496 -10.782 0.999 1.00 0.00 O ATOM 1394 CB GLU A 86 8.684 -13.606 -0.450 1.00 0.00 C ATOM 1395 CG GLU A 86 9.856 -13.294 0.493 1.00 0.00 C ATOM 1396 CD GLU A 86 11.181 -13.937 0.057 1.00 0.00 C ATOM 1397 OE1 GLU A 86 11.408 -15.127 0.376 1.00 0.00 O ATOM 1398 OE2 GLU A 86 11.996 -13.258 -0.611 1.00 0.00 O ATOM 0 H GLU A 86 6.621 -13.962 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 86 7.095 -13.291 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.566 -14.688 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.936 -13.252 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.987 -12.214 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.607 -13.639 1.496 1.00 0.00 H new ATOM 1405 N ASN A 87 7.321 -10.882 -1.258 1.00 0.00 N ATOM 1406 CA ASN A 87 7.411 -9.429 -1.512 1.00 0.00 C ATOM 1407 C ASN A 87 6.064 -8.722 -1.250 1.00 0.00 C ATOM 1408 O ASN A 87 6.031 -7.495 -1.083 1.00 0.00 O ATOM 1409 CB ASN A 87 7.836 -9.179 -2.983 1.00 0.00 C ATOM 1410 CG ASN A 87 9.102 -9.932 -3.390 1.00 0.00 C ATOM 1411 OD1 ASN A 87 10.220 -9.432 -3.242 1.00 0.00 O ATOM 1412 ND2 ASN A 87 8.924 -11.130 -3.934 1.00 0.00 N ATOM 0 H ASN A 87 7.190 -11.431 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 87 8.154 -9.019 -0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.020 -9.473 -3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.995 -8.111 -3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.729 -11.673 -4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.982 -11.508 -4.038 1.00 0.00 H new ATOM 1419 N ARG A 88 4.960 -9.503 -1.253 1.00 0.00 N ATOM 1420 CA ARG A 88 3.585 -8.986 -1.104 1.00 0.00 C ATOM 1421 C ARG A 88 3.417 -8.291 0.243 1.00 0.00 C ATOM 1422 O ARG A 88 3.614 -8.908 1.293 1.00 0.00 O ATOM 1423 CB ARG A 88 2.530 -10.124 -1.269 1.00 0.00 C ATOM 1424 CG ARG A 88 2.107 -10.422 -2.718 1.00 0.00 C ATOM 1425 CD ARG A 88 0.978 -11.466 -2.782 1.00 0.00 C ATOM 1426 NE ARG A 88 0.420 -11.636 -4.135 1.00 0.00 N ATOM 1427 CZ ARG A 88 -0.842 -11.333 -4.499 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -1.704 -10.836 -3.615 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -1.241 -11.547 -5.735 1.00 0.00 N ATOM 0 H ARG A 88 5.001 -10.517 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 88 3.415 -8.256 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.933 -11.037 -0.830 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.642 -9.860 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.777 -9.500 -3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.968 -10.783 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.358 -12.425 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.180 -11.170 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 88 1.038 -12.013 -4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.412 -10.680 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.656 -10.611 -3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.595 -11.942 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.196 -11.317 -6.010 1.00 0.00 H new ATOM 1443 N VAL A 89 3.031 -7.015 0.189 1.00 0.00 N ATOM 1444 CA VAL A 89 2.965 -6.150 1.363 1.00 0.00 C ATOM 1445 C VAL A 89 1.688 -6.457 2.193 1.00 0.00 C ATOM 1446 O VAL A 89 0.572 -6.320 1.673 1.00 0.00 O ATOM 1447 CB VAL A 89 3.019 -4.643 0.935 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.867 -3.712 2.149 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.330 -4.345 0.166 1.00 0.00 C ATOM 0 H VAL A 89 2.754 -6.552 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 89 3.830 -6.349 1.996 1.00 0.00 H new ATOM 0 HB VAL A 89 2.179 -4.450 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.909 -2.674 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.909 -3.900 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.675 -3.901 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.351 -3.294 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.185 -4.562 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.378 -4.969 -0.727 1.00 0.00 H new ATOM 1459 N PRO A 90 1.848 -6.913 3.484 1.00 0.00 N ATOM 1460 CA PRO A 90 0.717 -7.210 4.404 1.00 0.00 C ATOM 1461 C PRO A 90 -0.252 -6.022 4.582 1.00 0.00 C ATOM 1462 O PRO A 90 0.183 -4.877 4.715 1.00 0.00 O ATOM 1463 CB PRO A 90 1.430 -7.558 5.741 1.00 0.00 C ATOM 1464 CG PRO A 90 2.777 -8.059 5.319 1.00 0.00 C ATOM 1465 CD PRO A 90 3.153 -7.201 4.140 1.00 0.00 C ATOM 0 HA PRO A 90 0.083 -8.010 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.514 -6.684 6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.881 -8.315 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.505 -7.965 6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.739 -9.113 5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.654 -6.285 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.834 -7.722 3.466 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.558 -6.316 4.564 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.617 -5.324 4.779 1.00 0.00 C ATOM 1475 C VAL A 91 -3.146 -5.517 6.203 1.00 0.00 C ATOM 1476 O VAL A 91 -3.725 -6.558 6.531 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.782 -5.463 3.729 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.943 -4.478 4.020 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.240 -5.272 2.295 1.00 0.00 C ATOM 0 H VAL A 91 -1.912 -7.258 4.398 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.208 -4.322 4.648 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.188 -6.471 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.726 -4.607 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.351 -4.679 5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.570 -3.455 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.057 -5.371 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.796 -4.281 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.484 -6.029 2.088 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.903 -4.515 7.038 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.275 -4.495 8.456 1.00 0.00 C ATOM 1491 C VAL A 92 -4.552 -3.645 8.602 1.00 0.00 C ATOM 1492 O VAL A 92 -4.771 -2.734 7.806 1.00 0.00 O ATOM 1493 CB VAL A 92 -2.094 -3.867 9.305 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.400 -3.836 10.822 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.753 -4.592 9.016 1.00 0.00 C ATOM 0 H VAL A 92 -2.426 -3.663 6.742 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.459 -5.506 8.820 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.997 -2.829 8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.557 -3.396 11.354 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.294 -3.238 11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.565 -4.852 11.181 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.040 -4.141 9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.846 -5.647 9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.510 -4.499 7.958 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.404 -3.962 9.584 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.589 -3.147 9.922 1.00 0.00 C ATOM 1507 C TYR A 93 -6.394 -2.562 11.320 1.00 0.00 C ATOM 1508 O TYR A 93 -6.031 -3.286 12.247 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.883 -3.999 9.869 1.00 0.00 C ATOM 1510 CG TYR A 93 -8.192 -4.590 8.486 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.704 -5.847 8.112 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -8.974 -3.893 7.554 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.983 -6.383 6.869 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -9.251 -4.431 6.311 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.758 -5.674 5.975 1.00 0.00 C ATOM 1516 OH TYR A 93 -9.040 -6.220 4.746 1.00 0.00 O ATOM 0 H TYR A 93 -5.296 -4.790 10.170 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.695 -2.344 9.193 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.798 -4.813 10.589 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.724 -3.382 10.184 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.098 -6.409 8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.366 -2.920 7.811 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.595 -7.354 6.598 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.853 -3.879 5.604 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.428 -5.533 4.164 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.627 -1.253 11.463 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.413 -0.513 12.719 1.00 0.00 C ATOM 1528 C ILE A 94 -7.703 0.236 13.092 1.00 0.00 C ATOM 1529 O ILE A 94 -8.361 0.797 12.220 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.207 0.503 12.574 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.855 -0.247 12.352 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.099 1.474 13.775 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -3.426 -1.178 13.483 1.00 0.00 C ATOM 0 H ILE A 94 -6.974 -0.667 10.703 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.162 -1.220 13.510 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.419 1.105 11.691 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.929 -0.830 11.434 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.070 0.493 12.197 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.256 2.148 13.623 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.018 2.055 13.857 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.947 0.904 14.691 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.476 -1.647 13.227 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.311 -0.604 14.403 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.184 -1.948 13.628 1.00 0.00 H new