USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 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 -144:sc= 0.815 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.656 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0314) USER MOD Single : A 25 ASN : amide:sc= 0.665 K(o=0.67,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.0594 K(o=0.059,f=-0.72!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -84:sc= 0.825 USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 0.516 (180deg=-0.0958) USER MOD Single : A 40 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 178:sc= 0.871 USER MOD Single : A 49 THR OG1 : rot 37:sc= 0.0624 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.059) USER MOD Single : A 73 ASN : amide:sc= -1.55 K(o=-1.6,f=-6.4!) USER MOD Single : A 76 THR OG1 : rot 73:sc= 0.683 USER MOD Single : A 78 GLN : amide:sc= -1.92 K(o=-1.9,f=-3.2!) USER MOD Single : A 79 GLN : amide:sc= -1.02 K(o=-1,f=-3.5!) USER MOD Single : A 87 ASN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 3.638 11.915 6.025 1.00 0.00 N ATOM 246 CA ARG A 16 3.493 12.814 4.877 1.00 0.00 C ATOM 247 C ARG A 16 2.363 12.280 3.989 1.00 0.00 C ATOM 248 O ARG A 16 2.425 11.140 3.530 1.00 0.00 O ATOM 249 CB ARG A 16 4.840 12.878 4.100 1.00 0.00 C ATOM 250 CG ARG A 16 4.801 13.595 2.721 1.00 0.00 C ATOM 251 CD ARG A 16 6.169 13.578 2.003 1.00 0.00 C ATOM 252 NE ARG A 16 6.095 14.143 0.641 1.00 0.00 N ATOM 253 CZ ARG A 16 7.143 14.515 -0.113 1.00 0.00 C ATOM 254 NH1 ARG A 16 8.389 14.399 0.342 1.00 0.00 N ATOM 255 NH2 ARG A 16 6.935 15.006 -1.329 1.00 0.00 N ATOM 0 HA ARG A 16 3.243 13.824 5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.575 13.382 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.197 11.859 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.056 13.114 2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.481 14.628 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.892 14.145 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.536 12.553 1.949 1.00 0.00 H new ATOM 0 HE ARG A 16 5.166 14.261 0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.558 14.023 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.174 14.686 -0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.984 15.099 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.726 15.290 -1.906 1.00 0.00 H new ATOM 269 N GLU A 17 1.326 13.090 3.765 1.00 0.00 N ATOM 270 CA GLU A 17 0.182 12.683 2.946 1.00 0.00 C ATOM 271 C GLU A 17 0.591 12.672 1.460 1.00 0.00 C ATOM 272 O GLU A 17 1.169 13.646 0.973 1.00 0.00 O ATOM 273 CB GLU A 17 -1.000 13.643 3.144 1.00 0.00 C ATOM 274 CG GLU A 17 -2.279 13.191 2.413 1.00 0.00 C ATOM 275 CD GLU A 17 -3.368 14.264 2.399 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.690 14.811 3.468 1.00 0.00 O ATOM 277 OE2 GLU A 17 -3.889 14.585 1.320 1.00 0.00 O ATOM 0 H GLU A 17 1.255 14.035 4.141 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.127 11.684 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.211 13.734 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.718 14.634 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.029 12.921 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.667 12.293 2.893 1.00 0.00 H new ATOM 284 N ILE A 18 0.284 11.574 0.764 1.00 0.00 N ATOM 285 CA ILE A 18 0.639 11.355 -0.649 1.00 0.00 C ATOM 286 C ILE A 18 -0.591 10.837 -1.404 1.00 0.00 C ATOM 287 O ILE A 18 -1.636 10.572 -0.797 1.00 0.00 O ATOM 288 CB ILE A 18 1.804 10.298 -0.785 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.347 8.875 -0.290 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.070 10.767 -0.024 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.357 7.769 -0.522 1.00 0.00 C ATOM 0 H ILE A 18 -0.229 10.793 1.172 1.00 0.00 H new ATOM 0 HA ILE A 18 0.976 12.303 -1.069 1.00 0.00 H new ATOM 0 HB ILE A 18 2.055 10.217 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.127 8.930 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.417 8.611 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.857 10.021 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.410 11.717 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.834 10.893 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.956 6.826 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.561 7.680 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.281 8.004 0.006 1.00 0.00 H new ATOM 303 N THR A 19 -0.443 10.677 -2.723 1.00 0.00 N ATOM 304 CA THR A 19 -1.456 10.037 -3.571 1.00 0.00 C ATOM 305 C THR A 19 -1.106 8.548 -3.766 1.00 0.00 C ATOM 306 O THR A 19 0.026 8.124 -3.467 1.00 0.00 O ATOM 307 CB THR A 19 -1.559 10.742 -4.960 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.314 10.604 -5.681 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.918 12.238 -4.819 1.00 0.00 C ATOM 0 H THR A 19 0.383 10.988 -3.234 1.00 0.00 H new ATOM 0 HA THR A 19 -2.422 10.126 -3.073 1.00 0.00 H new ATOM 0 HB THR A 19 -2.361 10.256 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.389 11.048 -6.551 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.980 12.692 -5.808 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.879 12.336 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.149 12.743 -4.235 1.00 0.00 H new ATOM 317 N TRP A 20 -2.103 7.772 -4.249 1.00 0.00 N ATOM 318 CA TRP A 20 -1.938 6.353 -4.623 1.00 0.00 C ATOM 319 C TRP A 20 -0.805 6.191 -5.656 1.00 0.00 C ATOM 320 O TRP A 20 0.031 5.305 -5.510 1.00 0.00 O ATOM 321 CB TRP A 20 -3.273 5.768 -5.176 1.00 0.00 C ATOM 322 CG TRP A 20 -3.183 4.334 -5.680 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.137 3.921 -6.982 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.147 3.134 -4.893 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.076 2.555 -7.048 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.089 2.049 -5.781 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.167 2.876 -3.529 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.042 0.730 -5.346 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.119 1.568 -3.093 1.00 0.00 C ATOM 330 CH2 TRP A 20 -3.066 0.507 -3.999 1.00 0.00 C ATOM 0 H TRP A 20 -3.052 8.118 -4.390 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.667 5.795 -3.727 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.027 5.815 -4.390 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.622 6.403 -5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.147 4.579 -7.838 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.029 2.005 -7.905 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.219 3.688 -2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.988 -0.089 -6.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.122 1.361 -2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.044 -0.507 -3.628 1.00 0.00 H new ATOM 341 N LYS A 21 -0.778 7.081 -6.679 1.00 0.00 N ATOM 342 CA LYS A 21 0.228 7.053 -7.769 1.00 0.00 C ATOM 343 C LYS A 21 1.664 7.112 -7.203 1.00 0.00 C ATOM 344 O LYS A 21 2.521 6.298 -7.590 1.00 0.00 O ATOM 345 CB LYS A 21 -0.003 8.231 -8.758 1.00 0.00 C ATOM 346 CG LYS A 21 0.922 8.229 -10.002 1.00 0.00 C ATOM 347 CD LYS A 21 0.856 9.558 -10.790 1.00 0.00 C ATOM 348 CE LYS A 21 1.774 9.599 -12.023 1.00 0.00 C ATOM 349 NZ LYS A 21 3.203 9.374 -11.684 1.00 0.00 N ATOM 0 H LYS A 21 -1.454 7.839 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 21 0.109 6.112 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.040 8.206 -9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.136 9.170 -8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.950 8.048 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.640 7.406 -10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.172 9.729 -11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.123 10.378 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.451 8.841 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.670 10.566 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.787 9.513 -12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.496 10.049 -10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.328 8.403 -11.333 1.00 0.00 H new ATOM 363 N ASP A 22 1.905 8.055 -6.256 1.00 0.00 N ATOM 364 CA ASP A 22 3.222 8.227 -5.606 1.00 0.00 C ATOM 365 C ASP A 22 3.570 6.997 -4.761 1.00 0.00 C ATOM 366 O ASP A 22 4.706 6.528 -4.798 1.00 0.00 O ATOM 367 CB ASP A 22 3.257 9.501 -4.727 1.00 0.00 C ATOM 368 CG ASP A 22 4.630 9.716 -4.038 1.00 0.00 C ATOM 369 OD1 ASP A 22 5.621 10.016 -4.743 1.00 0.00 O ATOM 370 OD2 ASP A 22 4.719 9.596 -2.801 1.00 0.00 O ATOM 0 H ASP A 22 1.196 8.710 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 22 3.966 8.339 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.025 10.369 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.480 9.434 -3.966 1.00 0.00 H new ATOM 375 N PHE A 23 2.571 6.474 -4.028 1.00 0.00 N ATOM 376 CA PHE A 23 2.718 5.242 -3.234 1.00 0.00 C ATOM 377 C PHE A 23 3.288 4.091 -4.089 1.00 0.00 C ATOM 378 O PHE A 23 4.269 3.457 -3.702 1.00 0.00 O ATOM 379 CB PHE A 23 1.354 4.828 -2.609 1.00 0.00 C ATOM 380 CG PHE A 23 1.335 3.405 -2.036 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.230 3.025 -1.034 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.442 2.445 -2.524 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.233 1.741 -0.543 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.444 1.162 -2.022 1.00 0.00 C ATOM 385 CZ PHE A 23 1.341 0.811 -1.036 1.00 0.00 C ATOM 0 H PHE A 23 1.642 6.892 -3.970 1.00 0.00 H new ATOM 0 HA PHE A 23 3.424 5.446 -2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.102 5.531 -1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.577 4.913 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.928 3.749 -0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.257 2.713 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.934 1.460 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.256 0.432 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.346 -0.197 -0.648 1.00 0.00 H new ATOM 395 N VAL A 24 2.664 3.857 -5.251 1.00 0.00 N ATOM 396 CA VAL A 24 3.018 2.751 -6.144 1.00 0.00 C ATOM 397 C VAL A 24 4.450 2.902 -6.689 1.00 0.00 C ATOM 398 O VAL A 24 5.324 2.079 -6.403 1.00 0.00 O ATOM 399 CB VAL A 24 2.013 2.658 -7.342 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.375 1.489 -8.287 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.565 2.545 -6.822 1.00 0.00 C ATOM 0 H VAL A 24 1.897 4.433 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 24 2.964 1.835 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 24 2.088 3.575 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.660 1.450 -9.108 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.378 1.641 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.343 0.551 -7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.121 2.481 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.468 1.650 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.324 3.424 -6.224 1.00 0.00 H new ATOM 411 N ASN A 25 4.676 4.005 -7.424 1.00 0.00 N ATOM 412 CA ASN A 25 5.893 4.200 -8.235 1.00 0.00 C ATOM 413 C ASN A 25 7.127 4.460 -7.366 1.00 0.00 C ATOM 414 O ASN A 25 8.209 3.950 -7.658 1.00 0.00 O ATOM 415 CB ASN A 25 5.709 5.365 -9.252 1.00 0.00 C ATOM 416 CG ASN A 25 4.733 5.032 -10.379 1.00 0.00 C ATOM 417 OD1 ASN A 25 5.123 4.450 -11.396 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.482 5.425 -10.233 1.00 0.00 N ATOM 0 H ASN A 25 4.022 4.786 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 25 6.055 3.272 -8.783 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.354 6.249 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.678 5.619 -9.682 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.803 5.250 -10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.194 5.903 -9.379 1.00 0.00 H new ATOM 425 N ASN A 26 6.959 5.266 -6.307 1.00 0.00 N ATOM 426 CA ASN A 26 8.061 5.688 -5.428 1.00 0.00 C ATOM 427 C ASN A 26 8.413 4.577 -4.412 1.00 0.00 C ATOM 428 O ASN A 26 9.595 4.282 -4.210 1.00 0.00 O ATOM 429 CB ASN A 26 7.640 6.996 -4.684 1.00 0.00 C ATOM 430 CG ASN A 26 8.747 7.739 -3.931 1.00 0.00 C ATOM 431 OD1 ASN A 26 9.757 7.168 -3.517 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.525 9.017 -3.687 1.00 0.00 N ATOM 0 H ASN A 26 6.052 5.645 -6.035 1.00 0.00 H new ATOM 0 HA ASN A 26 8.950 5.877 -6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.206 7.679 -5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.852 6.746 -3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.198 9.557 -3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.680 9.465 -4.042 1.00 0.00 H new ATOM 439 N TYR A 27 7.390 3.934 -3.804 1.00 0.00 N ATOM 440 CA TYR A 27 7.577 3.111 -2.575 1.00 0.00 C ATOM 441 C TYR A 27 7.308 1.602 -2.801 1.00 0.00 C ATOM 442 O TYR A 27 8.226 0.776 -2.672 1.00 0.00 O ATOM 443 CB TYR A 27 6.666 3.656 -1.441 1.00 0.00 C ATOM 444 CG TYR A 27 6.940 5.128 -1.087 1.00 0.00 C ATOM 445 CD1 TYR A 27 8.195 5.533 -0.629 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.958 6.115 -1.225 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.454 6.851 -0.309 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.224 7.436 -0.906 1.00 0.00 C ATOM 449 CZ TYR A 27 7.469 7.793 -0.448 1.00 0.00 C ATOM 450 OH TYR A 27 7.727 9.097 -0.130 1.00 0.00 O ATOM 0 H TYR A 27 6.427 3.966 -4.139 1.00 0.00 H new ATOM 0 HA TYR A 27 8.626 3.195 -2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.623 3.551 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.804 3.044 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.980 4.799 -0.523 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.977 5.842 -1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.431 7.139 0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.454 8.185 -1.017 1.00 0.00 H new ATOM 0 HH TYR A 27 6.924 9.637 -0.286 1.00 0.00 H new ATOM 460 N LEU A 28 6.037 1.267 -3.105 1.00 0.00 N ATOM 461 CA LEU A 28 5.545 -0.123 -3.189 1.00 0.00 C ATOM 462 C LEU A 28 6.378 -0.977 -4.169 1.00 0.00 C ATOM 463 O LEU A 28 6.782 -2.102 -3.843 1.00 0.00 O ATOM 464 CB LEU A 28 4.046 -0.135 -3.594 1.00 0.00 C ATOM 465 CG LEU A 28 3.340 -1.535 -3.584 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.286 -2.151 -2.163 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.936 -1.460 -4.212 1.00 0.00 C ATOM 0 H LEU A 28 5.316 1.962 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 28 5.654 -0.571 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.503 0.528 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.958 0.287 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 28 3.947 -2.200 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.788 -3.120 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.300 -2.280 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.732 -1.487 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.474 -2.447 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.322 -0.759 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.017 -1.121 -5.245 1.00 0.00 H new ATOM 479 N SER A 29 6.664 -0.406 -5.345 1.00 0.00 N ATOM 480 CA SER A 29 7.406 -1.096 -6.417 1.00 0.00 C ATOM 481 C SER A 29 8.910 -1.285 -6.091 1.00 0.00 C ATOM 482 O SER A 29 9.619 -1.975 -6.825 1.00 0.00 O ATOM 483 CB SER A 29 7.231 -0.307 -7.724 1.00 0.00 C ATOM 484 OG SER A 29 7.690 1.028 -7.579 1.00 0.00 O ATOM 0 H SER A 29 6.390 0.547 -5.584 1.00 0.00 H new ATOM 0 HA SER A 29 6.993 -2.100 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.781 -0.799 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.180 -0.304 -8.013 1.00 0.00 H new ATOM 0 HG SER A 29 6.979 1.578 -7.188 1.00 0.00 H new ATOM 490 N LYS A 30 9.399 -0.657 -5.006 1.00 0.00 N ATOM 491 CA LYS A 30 10.822 -0.745 -4.594 1.00 0.00 C ATOM 492 C LYS A 30 11.047 -1.829 -3.524 1.00 0.00 C ATOM 493 O LYS A 30 12.199 -2.103 -3.190 1.00 0.00 O ATOM 494 CB LYS A 30 11.334 0.636 -4.071 1.00 0.00 C ATOM 495 CG LYS A 30 11.801 1.628 -5.162 1.00 0.00 C ATOM 496 CD LYS A 30 10.712 1.966 -6.201 1.00 0.00 C ATOM 497 CE LYS A 30 11.173 3.036 -7.194 1.00 0.00 C ATOM 498 NZ LYS A 30 11.523 4.306 -6.517 1.00 0.00 N ATOM 0 H LYS A 30 8.828 -0.077 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 30 11.393 -1.026 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.537 1.105 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.163 0.461 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.133 2.550 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.664 1.207 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.438 1.062 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.816 2.312 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.038 2.669 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.383 3.219 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.369 5.101 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.924 4.427 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.522 4.282 -6.230 1.00 0.00 H new ATOM 512 N GLY A 31 9.960 -2.447 -3.008 1.00 0.00 N ATOM 513 CA GLY A 31 10.080 -3.426 -1.914 1.00 0.00 C ATOM 514 C GLY A 31 10.605 -2.824 -0.602 1.00 0.00 C ATOM 515 O GLY A 31 11.281 -3.506 0.183 1.00 0.00 O ATOM 0 H GLY A 31 9.005 -2.286 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.104 -3.876 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.747 -4.229 -2.228 1.00 0.00 H new ATOM 519 N VAL A 32 10.281 -1.535 -0.370 1.00 0.00 N ATOM 520 CA VAL A 32 10.734 -0.784 0.820 1.00 0.00 C ATOM 521 C VAL A 32 9.612 -0.628 1.854 1.00 0.00 C ATOM 522 O VAL A 32 9.849 -0.103 2.946 1.00 0.00 O ATOM 523 CB VAL A 32 11.306 0.631 0.433 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.540 0.490 -0.487 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.222 1.544 -0.203 1.00 0.00 C ATOM 0 H VAL A 32 9.698 -0.986 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 32 11.537 -1.370 1.268 1.00 0.00 H new ATOM 0 HB VAL A 32 11.625 1.119 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.919 1.480 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.317 -0.074 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.256 -0.036 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.661 2.510 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.836 1.075 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.407 1.689 0.506 1.00 0.00 H new ATOM 535 N VAL A 33 8.402 -1.110 1.518 1.00 0.00 N ATOM 536 CA VAL A 33 7.229 -1.017 2.403 1.00 0.00 C ATOM 537 C VAL A 33 7.054 -2.366 3.129 1.00 0.00 C ATOM 538 O VAL A 33 7.079 -3.421 2.497 1.00 0.00 O ATOM 539 CB VAL A 33 5.912 -0.640 1.613 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.731 -0.354 2.577 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.157 0.556 0.667 1.00 0.00 C ATOM 0 H VAL A 33 8.211 -1.573 0.629 1.00 0.00 H new ATOM 0 HA VAL A 33 7.400 -0.217 3.123 1.00 0.00 H new ATOM 0 HB VAL A 33 5.637 -1.502 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.843 -0.098 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.530 -1.240 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.989 0.478 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.235 0.795 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.475 1.421 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.934 0.298 -0.053 1.00 0.00 H new ATOM 551 N ASP A 34 6.891 -2.306 4.453 1.00 0.00 N ATOM 552 CA ASP A 34 6.802 -3.472 5.345 1.00 0.00 C ATOM 553 C ASP A 34 5.345 -3.942 5.456 1.00 0.00 C ATOM 554 O ASP A 34 5.038 -5.118 5.249 1.00 0.00 O ATOM 555 CB ASP A 34 7.352 -3.071 6.743 1.00 0.00 C ATOM 556 CG ASP A 34 7.221 -4.155 7.825 1.00 0.00 C ATOM 557 OD1 ASP A 34 7.773 -5.257 7.646 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.588 -3.889 8.872 1.00 0.00 O ATOM 0 H ASP A 34 6.815 -1.420 4.952 1.00 0.00 H new ATOM 0 HA ASP A 34 7.393 -4.294 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.404 -2.805 6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.829 -2.176 7.080 1.00 0.00 H new ATOM 563 N ARG A 35 4.451 -2.990 5.767 1.00 0.00 N ATOM 564 CA ARG A 35 3.026 -3.259 6.016 1.00 0.00 C ATOM 565 C ARG A 35 2.185 -2.020 5.676 1.00 0.00 C ATOM 566 O ARG A 35 2.670 -0.878 5.741 1.00 0.00 O ATOM 567 CB ARG A 35 2.818 -3.683 7.496 1.00 0.00 C ATOM 568 CG ARG A 35 3.281 -2.625 8.525 1.00 0.00 C ATOM 569 CD ARG A 35 3.195 -3.102 9.978 1.00 0.00 C ATOM 570 NE ARG A 35 3.615 -2.049 10.923 1.00 0.00 N ATOM 571 CZ ARG A 35 4.352 -2.234 12.025 1.00 0.00 C ATOM 572 NH1 ARG A 35 4.784 -3.441 12.360 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.646 -1.197 12.788 1.00 0.00 N ATOM 0 H ARG A 35 4.699 -2.004 5.853 1.00 0.00 H new ATOM 0 HA ARG A 35 2.699 -4.077 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.761 -3.894 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.359 -4.612 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.310 -2.343 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.673 -1.728 8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.172 -3.405 10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.824 -3.982 10.110 1.00 0.00 H new ATOM 0 HE ARG A 35 3.317 -1.095 10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.556 -4.245 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.345 -3.566 13.203 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.312 -0.267 12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.207 -1.326 13.630 1.00 0.00 H new ATOM 587 N LEU A 36 0.924 -2.269 5.302 1.00 0.00 N ATOM 588 CA LEU A 36 -0.058 -1.238 4.966 1.00 0.00 C ATOM 589 C LEU A 36 -1.153 -1.223 6.036 1.00 0.00 C ATOM 590 O LEU A 36 -2.054 -2.067 6.035 1.00 0.00 O ATOM 591 CB LEU A 36 -0.637 -1.526 3.555 1.00 0.00 C ATOM 592 CG LEU A 36 0.373 -1.338 2.384 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.257 -1.705 1.020 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.961 0.100 2.395 1.00 0.00 C ATOM 0 H LEU A 36 0.552 -3.216 5.224 1.00 0.00 H new ATOM 0 HA LEU A 36 0.408 -0.253 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.011 -2.550 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.492 -0.871 3.388 1.00 0.00 H new ATOM 0 HG LEU A 36 1.200 -2.031 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.479 -1.561 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.574 -2.748 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.120 -1.066 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.664 0.212 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.154 0.824 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.478 0.274 3.339 1.00 0.00 H new ATOM 606 N GLU A 37 -1.066 -0.237 6.945 1.00 0.00 N ATOM 607 CA GLU A 37 -1.927 -0.153 8.129 1.00 0.00 C ATOM 608 C GLU A 37 -3.159 0.724 7.849 1.00 0.00 C ATOM 609 O GLU A 37 -3.091 1.951 7.900 1.00 0.00 O ATOM 610 CB GLU A 37 -1.100 0.360 9.330 1.00 0.00 C ATOM 611 CG GLU A 37 0.050 -0.590 9.727 1.00 0.00 C ATOM 612 CD GLU A 37 0.838 -0.109 10.950 1.00 0.00 C ATOM 613 OE1 GLU A 37 0.384 -0.336 12.089 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.910 0.492 10.780 1.00 0.00 O ATOM 0 H GLU A 37 -0.392 0.526 6.876 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.304 -1.145 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.686 1.339 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.761 0.497 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.360 -1.579 9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.732 -0.697 8.883 1.00 0.00 H new ATOM 621 N VAL A 38 -4.299 0.064 7.595 1.00 0.00 N ATOM 622 CA VAL A 38 -5.554 0.733 7.230 1.00 0.00 C ATOM 623 C VAL A 38 -6.207 1.231 8.529 1.00 0.00 C ATOM 624 O VAL A 38 -6.702 0.420 9.310 1.00 0.00 O ATOM 625 CB VAL A 38 -6.522 -0.247 6.467 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.815 0.472 6.027 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.809 -0.915 5.265 1.00 0.00 C ATOM 0 H VAL A 38 -4.375 -0.952 7.637 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.350 1.566 6.557 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.808 -1.038 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.462 -0.231 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.334 0.858 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.564 1.298 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.502 -1.586 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.473 -0.147 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.950 -1.483 5.621 1.00 0.00 H new ATOM 637 N VAL A 39 -6.142 2.548 8.790 1.00 0.00 N ATOM 638 CA VAL A 39 -6.627 3.142 10.045 1.00 0.00 C ATOM 639 C VAL A 39 -8.070 3.661 9.876 1.00 0.00 C ATOM 640 O VAL A 39 -8.313 4.578 9.078 1.00 0.00 O ATOM 641 CB VAL A 39 -5.674 4.297 10.533 1.00 0.00 C ATOM 642 CG1 VAL A 39 -6.119 4.855 11.907 1.00 0.00 C ATOM 643 CG2 VAL A 39 -4.195 3.816 10.568 1.00 0.00 C ATOM 0 H VAL A 39 -5.752 3.228 8.138 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.626 2.364 10.808 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.744 5.114 9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.440 5.650 12.214 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.131 5.252 11.828 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.100 4.056 12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.555 4.631 10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.103 2.972 11.252 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.889 3.507 9.568 1.00 0.00 H new ATOM 653 N ASN A 40 -9.004 3.030 10.631 1.00 0.00 N ATOM 654 CA ASN A 40 -10.450 3.370 10.703 1.00 0.00 C ATOM 655 C ASN A 40 -11.150 3.428 9.324 1.00 0.00 C ATOM 656 O ASN A 40 -12.202 4.070 9.186 1.00 0.00 O ATOM 657 CB ASN A 40 -10.673 4.699 11.485 1.00 0.00 C ATOM 658 CG ASN A 40 -10.222 4.650 12.947 1.00 0.00 C ATOM 659 OD1 ASN A 40 -9.239 3.992 13.279 1.00 0.00 O ATOM 660 ND2 ASN A 40 -10.935 5.339 13.833 1.00 0.00 N ATOM 0 H ASN A 40 -8.763 2.240 11.230 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.918 2.549 11.246 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.136 5.501 10.978 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.732 4.954 11.452 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.670 5.330 14.818 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.746 5.876 13.528 1.00 0.00 H new ATOM 667 N LYS A 41 -10.574 2.711 8.332 1.00 0.00 N ATOM 668 CA LYS A 41 -11.042 2.660 6.920 1.00 0.00 C ATOM 669 C LYS A 41 -10.867 4.009 6.175 1.00 0.00 C ATOM 670 O LYS A 41 -11.183 4.110 4.983 1.00 0.00 O ATOM 671 CB LYS A 41 -12.515 2.152 6.818 1.00 0.00 C ATOM 672 CG LYS A 41 -12.778 0.784 7.500 1.00 0.00 C ATOM 673 CD LYS A 41 -14.199 0.227 7.243 1.00 0.00 C ATOM 674 CE LYS A 41 -15.314 1.123 7.803 1.00 0.00 C ATOM 675 NZ LYS A 41 -16.660 0.555 7.533 1.00 0.00 N ATOM 0 H LYS A 41 -9.748 2.135 8.492 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.398 1.938 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.174 2.897 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.787 2.076 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.044 0.062 7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.626 0.888 8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.345 0.105 6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.280 -0.764 7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.179 1.244 8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.242 2.116 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.388 1.186 7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.798 0.463 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -16.737 -0.382 7.978 1.00 0.00 H new ATOM 689 N ARG A 42 -10.316 5.019 6.873 1.00 0.00 N ATOM 690 CA ARG A 42 -10.148 6.385 6.354 1.00 0.00 C ATOM 691 C ARG A 42 -8.970 6.439 5.394 1.00 0.00 C ATOM 692 O ARG A 42 -9.076 6.982 4.283 1.00 0.00 O ATOM 693 CB ARG A 42 -9.912 7.369 7.528 1.00 0.00 C ATOM 694 CG ARG A 42 -11.042 7.380 8.571 1.00 0.00 C ATOM 695 CD ARG A 42 -10.711 8.249 9.792 1.00 0.00 C ATOM 696 NE ARG A 42 -11.785 8.192 10.796 1.00 0.00 N ATOM 697 CZ ARG A 42 -11.624 8.160 12.119 1.00 0.00 C ATOM 698 NH1 ARG A 42 -10.407 8.175 12.663 1.00 0.00 N ATOM 699 NH2 ARG A 42 -12.692 8.080 12.902 1.00 0.00 N ATOM 0 H ARG A 42 -9.971 4.906 7.826 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.054 6.673 5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.976 7.110 8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.792 8.375 7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.957 7.747 8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.239 6.359 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.775 7.912 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.560 9.281 9.476 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.743 8.175 10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.581 8.211 12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.301 8.150 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.625 8.044 12.490 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.581 8.055 13.916 1.00 0.00 H new ATOM 713 N PHE A 43 -7.866 5.810 5.817 1.00 0.00 N ATOM 714 CA PHE A 43 -6.596 5.867 5.101 1.00 0.00 C ATOM 715 C PHE A 43 -5.765 4.613 5.362 1.00 0.00 C ATOM 716 O PHE A 43 -6.142 3.754 6.163 1.00 0.00 O ATOM 717 CB PHE A 43 -5.799 7.161 5.464 1.00 0.00 C ATOM 718 CG PHE A 43 -5.230 7.266 6.887 1.00 0.00 C ATOM 719 CD1 PHE A 43 -3.944 6.794 7.190 1.00 0.00 C ATOM 720 CD2 PHE A 43 -5.953 7.880 7.907 1.00 0.00 C ATOM 721 CE1 PHE A 43 -3.414 6.924 8.459 1.00 0.00 C ATOM 722 CE2 PHE A 43 -5.417 8.015 9.174 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.149 7.535 9.450 1.00 0.00 C ATOM 0 H PHE A 43 -7.834 5.248 6.667 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.815 5.905 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.970 7.254 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.454 8.017 5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.358 6.320 6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.945 8.256 7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.425 6.547 8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.990 8.497 9.952 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.736 7.640 10.442 1.00 0.00 H new ATOM 733 N VAL A 44 -4.632 4.541 4.659 1.00 0.00 N ATOM 734 CA VAL A 44 -3.651 3.468 4.758 1.00 0.00 C ATOM 735 C VAL A 44 -2.296 4.100 5.081 1.00 0.00 C ATOM 736 O VAL A 44 -1.870 5.049 4.416 1.00 0.00 O ATOM 737 CB VAL A 44 -3.553 2.656 3.423 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.494 1.539 3.525 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.927 2.085 3.021 1.00 0.00 C ATOM 0 H VAL A 44 -4.367 5.256 3.982 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.954 2.772 5.540 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.234 3.342 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.449 0.993 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.520 1.980 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.764 0.854 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.830 1.526 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.290 1.422 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.634 2.903 2.881 1.00 0.00 H new ATOM 749 N ARG A 45 -1.634 3.551 6.096 1.00 0.00 N ATOM 750 CA ARG A 45 -0.355 4.032 6.613 1.00 0.00 C ATOM 751 C ARG A 45 0.765 3.185 6.002 1.00 0.00 C ATOM 752 O ARG A 45 0.823 1.965 6.211 1.00 0.00 O ATOM 753 CB ARG A 45 -0.365 3.931 8.159 1.00 0.00 C ATOM 754 CG ARG A 45 0.960 4.292 8.857 1.00 0.00 C ATOM 755 CD ARG A 45 0.869 4.143 10.383 1.00 0.00 C ATOM 756 NE ARG A 45 2.156 4.429 11.029 1.00 0.00 N ATOM 757 CZ ARG A 45 2.343 4.674 12.330 1.00 0.00 C ATOM 758 NH1 ARG A 45 1.317 4.690 13.181 1.00 0.00 N ATOM 759 NH2 ARG A 45 3.573 4.868 12.780 1.00 0.00 N ATOM 0 H ARG A 45 -1.983 2.734 6.597 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.189 5.075 6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.148 4.585 8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.636 2.913 8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.756 3.651 8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.232 5.318 8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.108 4.820 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.552 3.130 10.633 1.00 0.00 H new ATOM 0 HE ARG A 45 2.982 4.442 10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.371 4.514 12.843 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.478 4.879 14.170 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.363 4.830 12.136 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.730 5.056 13.770 1.00 0.00 H new ATOM 773 N VAL A 46 1.622 3.847 5.232 1.00 0.00 N ATOM 774 CA VAL A 46 2.752 3.209 4.557 1.00 0.00 C ATOM 775 C VAL A 46 3.917 3.159 5.553 1.00 0.00 C ATOM 776 O VAL A 46 4.527 4.186 5.876 1.00 0.00 O ATOM 777 CB VAL A 46 3.158 3.994 3.255 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.300 3.286 2.484 1.00 0.00 C ATOM 779 CG2 VAL A 46 1.921 4.237 2.356 1.00 0.00 C ATOM 0 H VAL A 46 1.553 4.849 5.056 1.00 0.00 H new ATOM 0 HA VAL A 46 2.479 2.202 4.241 1.00 0.00 H new ATOM 0 HB VAL A 46 3.547 4.966 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.549 3.862 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.179 3.211 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.977 2.287 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.223 4.781 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.486 3.280 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.182 4.822 2.904 1.00 0.00 H new ATOM 789 N THR A 47 4.184 1.955 6.053 1.00 0.00 N ATOM 790 CA THR A 47 5.237 1.689 7.033 1.00 0.00 C ATOM 791 C THR A 47 6.406 1.053 6.297 1.00 0.00 C ATOM 792 O THR A 47 6.185 0.204 5.452 1.00 0.00 O ATOM 793 CB THR A 47 4.695 0.749 8.142 1.00 0.00 C ATOM 794 OG1 THR A 47 3.569 1.382 8.752 1.00 0.00 O ATOM 795 CG2 THR A 47 5.748 0.410 9.216 1.00 0.00 C ATOM 0 H THR A 47 3.665 1.119 5.784 1.00 0.00 H new ATOM 0 HA THR A 47 5.566 2.611 7.513 1.00 0.00 H new ATOM 0 HB THR A 47 4.417 -0.196 7.676 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.189 0.788 9.432 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.307 -0.250 9.963 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.598 -0.087 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.085 1.328 9.698 1.00 0.00 H new ATOM 803 N PHE A 48 7.622 1.502 6.597 1.00 0.00 N ATOM 804 CA PHE A 48 8.840 1.078 5.880 1.00 0.00 C ATOM 805 C PHE A 48 9.574 -0.044 6.614 1.00 0.00 C ATOM 806 O PHE A 48 9.543 -0.117 7.846 1.00 0.00 O ATOM 807 CB PHE A 48 9.753 2.296 5.637 1.00 0.00 C ATOM 808 CG PHE A 48 9.142 3.290 4.646 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.076 4.109 5.017 1.00 0.00 C ATOM 810 CD2 PHE A 48 9.612 3.378 3.335 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.507 4.983 4.120 1.00 0.00 C ATOM 812 CE2 PHE A 48 9.037 4.256 2.439 1.00 0.00 C ATOM 813 CZ PHE A 48 7.986 5.059 2.832 1.00 0.00 C ATOM 0 H PHE A 48 7.800 2.172 7.345 1.00 0.00 H new ATOM 0 HA PHE A 48 8.545 0.668 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.942 2.800 6.585 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.717 1.955 5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.691 4.056 6.025 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.434 2.753 3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.683 5.610 4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.411 4.315 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.539 5.747 2.129 1.00 0.00 H new ATOM 823 N THR A 49 10.224 -0.913 5.813 1.00 0.00 N ATOM 824 CA THR A 49 10.934 -2.109 6.284 1.00 0.00 C ATOM 825 C THR A 49 12.100 -1.735 7.215 1.00 0.00 C ATOM 826 O THR A 49 12.877 -0.832 6.880 1.00 0.00 O ATOM 827 CB THR A 49 11.498 -2.928 5.070 1.00 0.00 C ATOM 828 OG1 THR A 49 12.343 -2.086 4.272 1.00 0.00 O ATOM 829 CG2 THR A 49 10.382 -3.499 4.183 1.00 0.00 C ATOM 0 H THR A 49 10.268 -0.796 4.801 1.00 0.00 H new ATOM 0 HA THR A 49 10.217 -2.715 6.837 1.00 0.00 H new ATOM 0 HB THR A 49 12.063 -3.765 5.479 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.851 -1.484 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.823 -4.057 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.751 -4.163 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.778 -2.682 3.787 1.00 0.00 H new ATOM 960 N TYR A 59 7.965 8.118 6.460 1.00 0.00 N ATOM 961 CA TYR A 59 6.656 7.521 6.729 1.00 0.00 C ATOM 962 C TYR A 59 5.552 8.371 6.112 1.00 0.00 C ATOM 963 O TYR A 59 5.380 9.537 6.461 1.00 0.00 O ATOM 964 CB TYR A 59 6.445 7.330 8.249 1.00 0.00 C ATOM 965 CG TYR A 59 7.494 6.395 8.869 1.00 0.00 C ATOM 966 CD1 TYR A 59 7.534 5.043 8.513 1.00 0.00 C ATOM 967 CD2 TYR A 59 8.451 6.856 9.780 1.00 0.00 C ATOM 968 CE1 TYR A 59 8.481 4.190 9.040 1.00 0.00 C ATOM 969 CE2 TYR A 59 9.401 6.000 10.309 1.00 0.00 C ATOM 970 CZ TYR A 59 9.410 4.674 9.938 1.00 0.00 C ATOM 971 OH TYR A 59 10.347 3.825 10.473 1.00 0.00 O ATOM 0 HA TYR A 59 6.617 6.534 6.267 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.488 8.300 8.744 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.449 6.925 8.427 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.808 4.659 7.811 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.448 7.895 10.075 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.495 3.149 8.751 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.133 6.371 11.011 1.00 0.00 H new ATOM 0 HH TYR A 59 10.927 4.323 11.086 1.00 0.00 H new ATOM 981 N VAL A 60 4.864 7.776 5.151 1.00 0.00 N ATOM 982 CA VAL A 60 3.831 8.432 4.355 1.00 0.00 C ATOM 983 C VAL A 60 2.496 7.708 4.553 1.00 0.00 C ATOM 984 O VAL A 60 2.443 6.643 5.180 1.00 0.00 O ATOM 985 CB VAL A 60 4.239 8.468 2.827 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.379 9.485 2.554 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.638 7.064 2.322 1.00 0.00 C ATOM 0 H VAL A 60 5.010 6.800 4.894 1.00 0.00 H new ATOM 0 HA VAL A 60 3.723 9.464 4.689 1.00 0.00 H new ATOM 0 HB VAL A 60 3.360 8.799 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.627 9.477 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.052 10.484 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.259 9.209 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.913 7.121 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.487 6.697 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.796 6.382 2.441 1.00 0.00 H new ATOM 997 N TRP A 61 1.418 8.313 4.053 1.00 0.00 N ATOM 998 CA TRP A 61 0.072 7.723 4.096 1.00 0.00 C ATOM 999 C TRP A 61 -0.785 8.323 2.981 1.00 0.00 C ATOM 1000 O TRP A 61 -0.473 9.395 2.459 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.608 7.938 5.484 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.920 9.381 5.838 1.00 0.00 C ATOM 1003 CD1 TRP A 61 -0.093 10.277 6.446 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.156 10.081 5.608 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.731 11.479 6.606 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -2.001 11.379 6.102 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.377 9.724 5.031 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -3.023 12.326 6.036 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.391 10.657 4.964 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.209 11.948 5.465 1.00 0.00 C ATOM 0 H TRP A 61 1.450 9.229 3.605 1.00 0.00 H new ATOM 0 HA TRP A 61 0.165 6.648 3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.536 7.367 5.508 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.041 7.524 6.256 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.920 10.070 6.757 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.326 12.313 7.031 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.526 8.728 4.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.884 13.325 6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.337 10.386 4.519 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.018 12.661 5.401 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.876 7.638 2.647 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.831 8.076 1.617 1.00 0.00 C ATOM 1023 C PHE A 62 -4.234 7.612 2.021 1.00 0.00 C ATOM 1024 O PHE A 62 -4.374 6.526 2.589 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.429 7.506 0.223 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.355 5.975 0.164 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.191 5.299 0.531 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.455 5.211 -0.236 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.131 3.917 0.501 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.388 3.835 -0.265 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.228 3.188 0.102 1.00 0.00 C ATOM 0 H PHE A 62 -2.130 6.753 3.085 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.821 9.163 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.148 7.852 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.459 7.916 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.324 5.863 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.370 5.706 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.223 3.410 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.248 3.261 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.180 2.109 0.077 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.267 8.414 1.713 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.660 8.061 2.046 1.00 0.00 C ATOM 1043 C ASN A 63 -7.201 7.031 1.052 1.00 0.00 C ATOM 1044 O ASN A 63 -6.711 6.937 -0.080 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.579 9.324 2.141 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.528 10.313 0.957 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -7.674 11.516 1.160 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -7.356 9.850 -0.280 1.00 0.00 N ATOM 0 H ASN A 63 -5.166 9.309 1.235 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.664 7.607 3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.609 8.987 2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.317 9.867 3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.345 10.496 -1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.236 8.850 -0.438 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.191 6.239 1.482 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.885 5.279 0.608 1.00 0.00 C ATOM 1057 C ILE A 64 -10.404 5.463 0.710 1.00 0.00 C ATOM 1058 O ILE A 64 -11.092 5.550 -0.315 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.500 3.781 0.910 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.715 3.418 2.422 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.047 3.488 0.467 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.580 1.947 2.739 1.00 0.00 C ATOM 0 H ILE A 64 -8.534 6.244 2.442 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.557 5.492 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.169 3.146 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.994 3.974 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.707 3.752 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.803 2.448 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.950 3.667 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.363 4.142 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.744 1.788 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.319 1.383 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.579 1.607 2.471 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.920 5.575 1.951 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.353 5.504 2.219 1.00 0.00 C ATOM 1076 C GLY A 65 -12.885 4.089 1.990 1.00 0.00 C ATOM 1077 O GLY A 65 -13.203 3.368 2.942 1.00 0.00 O ATOM 0 H GLY A 65 -10.350 5.716 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.550 5.808 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.882 6.204 1.573 1.00 0.00 H new ATOM 1081 N SER A 66 -12.965 3.699 0.704 1.00 0.00 N ATOM 1082 CA SER A 66 -13.334 2.355 0.270 1.00 0.00 C ATOM 1083 C SER A 66 -12.140 1.391 0.413 1.00 0.00 C ATOM 1084 O SER A 66 -11.175 1.456 -0.370 1.00 0.00 O ATOM 1085 CB SER A 66 -13.788 2.396 -1.194 1.00 0.00 C ATOM 1086 OG SER A 66 -14.192 1.117 -1.640 1.00 0.00 O ATOM 0 H SER A 66 -12.769 4.330 -0.073 1.00 0.00 H new ATOM 0 HA SER A 66 -14.149 1.996 0.899 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.614 3.099 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.974 2.762 -1.820 1.00 0.00 H new ATOM 0 HG SER A 66 -13.929 0.999 -2.577 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.202 0.543 1.451 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.232 -0.548 1.671 1.00 0.00 C ATOM 1094 C VAL A 67 -11.350 -1.627 0.570 1.00 0.00 C ATOM 1095 O VAL A 67 -10.343 -2.232 0.200 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.392 -1.195 3.103 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.275 -2.234 3.410 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.436 -0.103 4.190 1.00 0.00 C ATOM 0 H VAL A 67 -12.928 0.592 2.166 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.236 -0.108 1.617 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.339 -1.735 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.429 -2.650 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.311 -3.035 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.302 -1.745 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.547 -0.569 5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.511 0.473 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.282 0.560 4.006 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.578 -1.842 0.024 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.823 -2.815 -1.070 1.00 0.00 C ATOM 1110 C ASP A 68 -12.063 -2.403 -2.340 1.00 0.00 C ATOM 1111 O ASP A 68 -11.460 -3.255 -3.006 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.350 -2.949 -1.358 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.683 -3.886 -2.545 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.645 -5.122 -2.374 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.938 -3.389 -3.668 1.00 0.00 O ATOM 0 H ASP A 68 -13.417 -1.349 0.329 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.452 -3.789 -0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.848 -3.322 -0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.760 -1.960 -1.562 1.00 0.00 H new ATOM 1120 N THR A 69 -12.092 -1.091 -2.666 1.00 0.00 N ATOM 1121 CA THR A 69 -11.341 -0.551 -3.811 1.00 0.00 C ATOM 1122 C THR A 69 -9.837 -0.750 -3.589 1.00 0.00 C ATOM 1123 O THR A 69 -9.156 -1.275 -4.473 1.00 0.00 O ATOM 1124 CB THR A 69 -11.660 0.959 -4.086 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.073 1.109 -4.300 1.00 0.00 O ATOM 1126 CG2 THR A 69 -10.908 1.514 -5.320 1.00 0.00 C ATOM 0 H THR A 69 -12.627 -0.392 -2.151 1.00 0.00 H new ATOM 0 HA THR A 69 -11.657 -1.103 -4.696 1.00 0.00 H new ATOM 0 HB THR A 69 -11.328 1.524 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.280 2.052 -4.471 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.167 2.563 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.833 1.424 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.193 0.946 -6.206 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.361 -0.368 -2.379 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.951 -0.499 -1.968 1.00 0.00 C ATOM 1136 C PHE A 70 -7.416 -1.925 -2.186 1.00 0.00 C ATOM 1137 O PHE A 70 -6.378 -2.099 -2.807 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.780 -0.089 -0.479 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.397 -0.408 0.113 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.244 0.200 -0.391 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.253 -1.344 1.143 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.999 -0.111 0.122 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.004 -1.653 1.650 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.880 -1.038 1.139 1.00 0.00 C ATOM 0 H PHE A 70 -9.954 0.043 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.368 0.173 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.963 0.981 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.541 -0.595 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.327 0.921 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.128 -1.831 1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.117 0.372 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.909 -2.376 2.446 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.905 -1.282 1.535 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.134 -2.926 -1.657 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.693 -4.329 -1.703 1.00 0.00 C ATOM 1156 C GLU A 71 -7.670 -4.860 -3.145 1.00 0.00 C ATOM 1157 O GLU A 71 -6.719 -5.539 -3.534 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.596 -5.206 -0.804 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.509 -4.857 0.698 1.00 0.00 C ATOM 1160 CD GLU A 71 -9.452 -5.703 1.561 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -9.102 -6.860 1.885 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -10.556 -5.230 1.900 1.00 0.00 O ATOM 0 H GLU A 71 -9.030 -2.789 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.673 -4.377 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.630 -5.102 -1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.322 -6.252 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.484 -5.000 1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.747 -3.802 0.835 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.708 -4.527 -3.935 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.839 -5.001 -5.324 1.00 0.00 C ATOM 1171 C ARG A 72 -7.739 -4.428 -6.237 1.00 0.00 C ATOM 1172 O ARG A 72 -7.072 -5.188 -6.959 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.245 -4.664 -5.882 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.386 -5.523 -5.292 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.760 -5.157 -5.870 1.00 0.00 C ATOM 1176 NE ARG A 72 -13.860 -5.926 -5.259 1.00 0.00 N ATOM 1177 CZ ARG A 72 -14.913 -6.436 -5.917 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -15.026 -6.272 -7.232 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -15.863 -7.068 -5.252 1.00 0.00 N ATOM 0 H ARG A 72 -9.474 -3.926 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.715 -6.084 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.459 -3.613 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.233 -4.790 -6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.182 -6.576 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.407 -5.399 -4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.940 -4.092 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.755 -5.331 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.817 -6.084 -4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.311 -5.757 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.828 -6.661 -7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.796 -7.168 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.663 -7.456 -5.751 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.537 -3.089 -6.195 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.551 -2.415 -7.062 1.00 0.00 C ATOM 1195 C ASN A 73 -5.122 -2.747 -6.622 1.00 0.00 C ATOM 1196 O ASN A 73 -4.241 -2.829 -7.467 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.789 -0.870 -7.163 1.00 0.00 C ATOM 1198 CG ASN A 73 -6.754 -0.087 -5.837 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -6.000 -0.383 -4.924 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -7.598 0.917 -5.714 1.00 0.00 N ATOM 0 H ASN A 73 -8.043 -2.460 -5.572 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.692 -2.804 -8.070 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.035 -0.450 -7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.758 -0.703 -7.634 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.626 1.456 -4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.223 1.155 -6.484 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.922 -2.947 -5.301 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.647 -3.421 -4.723 1.00 0.00 C ATOM 1209 C LEU A 74 -3.260 -4.802 -5.288 1.00 0.00 C ATOM 1210 O LEU A 74 -2.125 -4.991 -5.713 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.747 -3.479 -3.173 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.444 -3.838 -2.394 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.346 -2.757 -2.580 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.744 -4.097 -0.892 1.00 0.00 C ATOM 0 H LEU A 74 -5.646 -2.783 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.866 -2.713 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.097 -2.509 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.512 -4.210 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.053 -4.763 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.455 -3.044 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.099 -2.668 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.712 -1.799 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.818 -4.345 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.180 -3.202 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.445 -4.926 -0.799 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.222 -5.745 -5.295 1.00 0.00 N ATOM 1227 CA GLU A 75 -4.007 -7.121 -5.799 1.00 0.00 C ATOM 1228 C GLU A 75 -3.711 -7.146 -7.312 1.00 0.00 C ATOM 1229 O GLU A 75 -2.808 -7.867 -7.751 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.225 -8.019 -5.466 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.375 -8.341 -3.967 1.00 0.00 C ATOM 1232 CD GLU A 75 -4.167 -9.097 -3.393 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -4.049 -10.312 -3.644 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -3.322 -8.484 -2.691 1.00 0.00 O ATOM 0 H GLU A 75 -5.168 -5.578 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.127 -7.518 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.133 -7.526 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.137 -8.953 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.512 -7.412 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.275 -8.937 -3.817 1.00 0.00 H new ATOM 1241 N THR A 76 -4.468 -6.343 -8.091 1.00 0.00 N ATOM 1242 CA THR A 76 -4.273 -6.203 -9.552 1.00 0.00 C ATOM 1243 C THR A 76 -2.849 -5.683 -9.839 1.00 0.00 C ATOM 1244 O THR A 76 -2.112 -6.219 -10.672 1.00 0.00 O ATOM 1245 CB THR A 76 -5.320 -5.204 -10.150 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.648 -5.637 -9.818 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.209 -5.059 -11.678 1.00 0.00 C ATOM 0 H THR A 76 -5.231 -5.774 -7.726 1.00 0.00 H new ATOM 0 HA THR A 76 -4.409 -7.180 -10.017 1.00 0.00 H new ATOM 0 HB THR A 76 -5.108 -4.229 -9.712 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.820 -5.466 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.961 -4.354 -12.032 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.216 -4.692 -11.937 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.371 -6.029 -12.148 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.529 -4.608 -9.107 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.248 -3.896 -9.140 1.00 0.00 C ATOM 1257 C LEU A 77 -0.061 -4.800 -8.781 1.00 0.00 C ATOM 1258 O LEU A 77 0.985 -4.720 -9.414 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.325 -2.723 -8.147 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.145 -1.732 -8.154 1.00 0.00 C ATOM 1261 CD1 LEU A 77 -0.084 -0.934 -9.484 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.239 -0.818 -6.926 1.00 0.00 C ATOM 0 H LEU A 77 -3.187 -4.194 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.078 -3.543 -10.157 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.239 -2.165 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.418 -3.134 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 77 0.791 -2.287 -8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.759 -0.244 -9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.040 -1.625 -10.318 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.009 -0.372 -9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.595 -0.117 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.178 -0.265 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.201 -1.422 -6.019 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.233 -5.640 -7.747 1.00 0.00 N ATOM 1275 CA GLN A 78 0.798 -6.594 -7.301 1.00 0.00 C ATOM 1276 C GLN A 78 1.061 -7.664 -8.373 1.00 0.00 C ATOM 1277 O GLN A 78 2.208 -8.062 -8.591 1.00 0.00 O ATOM 1278 CB GLN A 78 0.402 -7.243 -5.943 1.00 0.00 C ATOM 1279 CG GLN A 78 0.551 -6.298 -4.723 1.00 0.00 C ATOM 1280 CD GLN A 78 0.327 -6.992 -3.382 1.00 0.00 C ATOM 1281 OE1 GLN A 78 0.587 -8.175 -3.239 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.120 -6.260 -2.381 1.00 0.00 N ATOM 0 H GLN A 78 -1.091 -5.677 -7.196 1.00 0.00 H new ATOM 0 HA GLN A 78 1.726 -6.042 -7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.632 -7.582 -6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.018 -8.127 -5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.549 -5.859 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.159 -5.477 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.330 -5.272 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.255 -6.681 -1.462 1.00 0.00 H new ATOM 1291 N GLN A 79 -0.006 -8.088 -9.062 1.00 0.00 N ATOM 1292 CA GLN A 79 0.104 -9.036 -10.186 1.00 0.00 C ATOM 1293 C GLN A 79 0.781 -8.375 -11.407 1.00 0.00 C ATOM 1294 O GLN A 79 1.532 -9.032 -12.135 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.282 -9.602 -10.579 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.949 -10.480 -9.497 1.00 0.00 C ATOM 1297 CD GLN A 79 -1.121 -11.701 -9.059 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -1.204 -12.130 -7.917 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -0.338 -12.289 -9.960 1.00 0.00 N ATOM 0 H GLN A 79 -0.961 -7.790 -8.862 1.00 0.00 H new ATOM 0 HA GLN A 79 0.729 -9.865 -9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.946 -8.770 -10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.174 -10.191 -11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.152 -9.863 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.912 -10.827 -9.872 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.282 -11.916 -10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.206 -13.112 -9.703 1.00 0.00 H new ATOM 1308 N GLU A 80 0.504 -7.071 -11.605 1.00 0.00 N ATOM 1309 CA GLU A 80 1.014 -6.276 -12.717 1.00 0.00 C ATOM 1310 C GLU A 80 2.529 -6.020 -12.565 1.00 0.00 C ATOM 1311 O GLU A 80 3.320 -6.304 -13.478 1.00 0.00 O ATOM 1312 CB GLU A 80 0.229 -4.944 -12.753 1.00 0.00 C ATOM 1313 CG GLU A 80 0.579 -4.051 -13.932 1.00 0.00 C ATOM 1314 CD GLU A 80 -0.131 -2.695 -13.890 1.00 0.00 C ATOM 1315 OE1 GLU A 80 0.391 -1.763 -13.236 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.209 -2.546 -14.506 1.00 0.00 O ATOM 0 H GLU A 80 -0.096 -6.538 -10.976 1.00 0.00 H new ATOM 0 HA GLU A 80 0.875 -6.816 -13.654 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.838 -5.164 -12.781 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.417 -4.398 -11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.657 -3.890 -13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.317 -4.563 -14.858 1.00 0.00 H new ATOM 1323 N LEU A 81 2.912 -5.499 -11.381 1.00 0.00 N ATOM 1324 CA LEU A 81 4.307 -5.155 -11.038 1.00 0.00 C ATOM 1325 C LEU A 81 5.151 -6.424 -10.791 1.00 0.00 C ATOM 1326 O LEU A 81 6.381 -6.371 -10.878 1.00 0.00 O ATOM 1327 CB LEU A 81 4.347 -4.251 -9.761 1.00 0.00 C ATOM 1328 CG LEU A 81 3.640 -2.854 -9.860 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.615 -2.136 -8.486 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.303 -1.969 -10.938 1.00 0.00 C ATOM 0 H LEU A 81 2.253 -5.303 -10.627 1.00 0.00 H new ATOM 0 HA LEU A 81 4.730 -4.612 -11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.892 -4.804 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.391 -4.085 -9.495 1.00 0.00 H new ATOM 0 HG LEU A 81 2.607 -3.028 -10.160 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.119 -1.171 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.073 -2.748 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.636 -1.983 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.792 -1.007 -10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.351 -1.811 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.234 -2.463 -11.907 1.00 0.00 H new ATOM 1342 N GLY A 82 4.479 -7.562 -10.510 1.00 0.00 N ATOM 1343 CA GLY A 82 5.159 -8.813 -10.152 1.00 0.00 C ATOM 1344 C GLY A 82 5.412 -8.953 -8.649 1.00 0.00 C ATOM 1345 O GLY A 82 6.101 -9.892 -8.227 1.00 0.00 O ATOM 0 H GLY A 82 3.462 -7.633 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.558 -9.656 -10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.111 -8.866 -10.681 1.00 0.00 H new ATOM 1349 N ILE A 83 4.862 -8.023 -7.843 1.00 0.00 N ATOM 1350 CA ILE A 83 4.951 -8.046 -6.368 1.00 0.00 C ATOM 1351 C ILE A 83 4.135 -9.246 -5.832 1.00 0.00 C ATOM 1352 O ILE A 83 2.919 -9.168 -5.652 1.00 0.00 O ATOM 1353 CB ILE A 83 4.425 -6.680 -5.768 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.346 -5.508 -6.221 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.292 -6.727 -4.224 1.00 0.00 C ATOM 1356 CD1 ILE A 83 4.930 -4.135 -5.742 1.00 0.00 C ATOM 0 H ILE A 83 4.337 -7.225 -8.202 1.00 0.00 H new ATOM 0 HA ILE A 83 5.990 -8.163 -6.060 1.00 0.00 H new ATOM 0 HB ILE A 83 3.421 -6.511 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.358 -5.706 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.384 -5.498 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.928 -5.766 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.589 -7.511 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.266 -6.937 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.636 -3.391 -6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.932 -3.906 -6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.921 -4.117 -4.652 1.00 0.00 H new ATOM 1368 N GLU A 84 4.819 -10.385 -5.643 1.00 0.00 N ATOM 1369 CA GLU A 84 4.184 -11.678 -5.309 1.00 0.00 C ATOM 1370 C GLU A 84 5.000 -12.405 -4.229 1.00 0.00 C ATOM 1371 O GLU A 84 6.227 -12.239 -4.157 1.00 0.00 O ATOM 1372 CB GLU A 84 4.072 -12.548 -6.589 1.00 0.00 C ATOM 1373 CG GLU A 84 3.173 -11.951 -7.701 1.00 0.00 C ATOM 1374 CD GLU A 84 3.237 -12.736 -9.014 1.00 0.00 C ATOM 1375 OE1 GLU A 84 4.169 -12.506 -9.810 1.00 0.00 O ATOM 1376 OE2 GLU A 84 2.357 -13.601 -9.252 1.00 0.00 O ATOM 0 H GLU A 84 5.835 -10.439 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 84 3.183 -11.498 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.072 -12.705 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.683 -13.528 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.141 -11.925 -7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.472 -10.920 -7.887 1.00 0.00 H new ATOM 1383 N GLY A 85 4.281 -13.174 -3.383 1.00 0.00 N ATOM 1384 CA GLY A 85 4.875 -14.005 -2.338 1.00 0.00 C ATOM 1385 C GLY A 85 5.562 -13.192 -1.251 1.00 0.00 C ATOM 1386 O GLY A 85 4.896 -12.595 -0.398 1.00 0.00 O ATOM 0 H GLY A 85 3.263 -13.229 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.098 -14.622 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.599 -14.684 -2.789 1.00 0.00 H new ATOM 1390 N GLU A 86 6.904 -13.154 -1.322 1.00 0.00 N ATOM 1391 CA GLU A 86 7.752 -12.459 -0.348 1.00 0.00 C ATOM 1392 C GLU A 86 7.720 -10.945 -0.584 1.00 0.00 C ATOM 1393 O GLU A 86 7.810 -10.165 0.364 1.00 0.00 O ATOM 1394 CB GLU A 86 9.198 -13.009 -0.420 1.00 0.00 C ATOM 1395 CG GLU A 86 9.300 -14.503 -0.043 1.00 0.00 C ATOM 1396 CD GLU A 86 10.731 -15.056 -0.091 1.00 0.00 C ATOM 1397 OE1 GLU A 86 11.161 -15.527 -1.166 1.00 0.00 O ATOM 1398 OE2 GLU A 86 11.437 -15.025 0.942 1.00 0.00 O ATOM 0 H GLU A 86 7.432 -13.611 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 86 7.364 -12.643 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.583 -12.869 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.834 -12.428 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.899 -14.643 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.673 -15.083 -0.720 1.00 0.00 H new ATOM 1405 N ASN A 87 7.532 -10.540 -1.857 1.00 0.00 N ATOM 1406 CA ASN A 87 7.516 -9.117 -2.257 1.00 0.00 C ATOM 1407 C ASN A 87 6.239 -8.416 -1.778 1.00 0.00 C ATOM 1408 O ASN A 87 6.216 -7.184 -1.661 1.00 0.00 O ATOM 1409 CB ASN A 87 7.652 -8.977 -3.797 1.00 0.00 C ATOM 1410 CG ASN A 87 8.989 -9.482 -4.349 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.035 -10.095 -5.410 1.00 0.00 O ATOM 1412 ND2 ASN A 87 10.096 -9.192 -3.663 1.00 0.00 N ATOM 0 H ASN A 87 7.388 -11.186 -2.633 1.00 0.00 H new ATOM 0 HA ASN A 87 8.370 -8.634 -1.781 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.841 -9.527 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.530 -7.929 -4.069 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.007 -9.481 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.031 -8.681 -2.783 1.00 0.00 H new ATOM 1419 N ARG A 88 5.186 -9.214 -1.497 1.00 0.00 N ATOM 1420 CA ARG A 88 3.881 -8.700 -1.048 1.00 0.00 C ATOM 1421 C ARG A 88 3.992 -7.959 0.285 1.00 0.00 C ATOM 1422 O ARG A 88 4.757 -8.352 1.168 1.00 0.00 O ATOM 1423 CB ARG A 88 2.834 -9.837 -0.931 1.00 0.00 C ATOM 1424 CG ARG A 88 2.463 -10.476 -2.276 1.00 0.00 C ATOM 1425 CD ARG A 88 1.223 -11.379 -2.191 1.00 0.00 C ATOM 1426 NE ARG A 88 0.736 -11.777 -3.525 1.00 0.00 N ATOM 1427 CZ ARG A 88 -0.378 -11.323 -4.116 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -1.143 -10.428 -3.512 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -0.703 -11.757 -5.308 1.00 0.00 N ATOM 0 H ARG A 88 5.220 -10.230 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 88 3.546 -7.993 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.222 -10.609 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.931 -9.441 -0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.283 -9.689 -3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.308 -11.062 -2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.463 -12.271 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.430 -10.856 -1.657 1.00 0.00 H new ATOM 0 HE ARG A 88 1.295 -12.456 -4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.887 -10.078 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.989 -10.088 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.109 -12.437 -5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.550 -11.415 -5.762 1.00 0.00 H new ATOM 1443 N VAL A 89 3.216 -6.883 0.404 1.00 0.00 N ATOM 1444 CA VAL A 89 3.185 -6.029 1.591 1.00 0.00 C ATOM 1445 C VAL A 89 1.855 -6.276 2.343 1.00 0.00 C ATOM 1446 O VAL A 89 0.797 -5.862 1.851 1.00 0.00 O ATOM 1447 CB VAL A 89 3.332 -4.521 1.184 1.00 0.00 C ATOM 1448 CG1 VAL A 89 3.263 -3.596 2.411 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.639 -4.306 0.390 1.00 0.00 C ATOM 0 H VAL A 89 2.581 -6.575 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 89 4.020 -6.273 2.247 1.00 0.00 H new ATOM 0 HB VAL A 89 2.492 -4.259 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.368 -2.559 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.303 -3.726 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.069 -3.847 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.728 -3.255 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.491 -4.593 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.622 -4.918 -0.512 1.00 0.00 H new ATOM 1459 N PRO A 90 1.891 -6.997 3.521 1.00 0.00 N ATOM 1460 CA PRO A 90 0.678 -7.387 4.300 1.00 0.00 C ATOM 1461 C PRO A 90 -0.171 -6.183 4.746 1.00 0.00 C ATOM 1462 O PRO A 90 0.371 -5.140 5.113 1.00 0.00 O ATOM 1463 CB PRO A 90 1.262 -8.142 5.532 1.00 0.00 C ATOM 1464 CG PRO A 90 2.611 -8.601 5.084 1.00 0.00 C ATOM 1465 CD PRO A 90 3.117 -7.497 4.188 1.00 0.00 C ATOM 0 HA PRO A 90 -0.005 -7.988 3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.334 -7.488 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.631 -8.984 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.277 -8.758 5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.549 -9.548 4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.611 -6.711 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.843 -7.869 3.465 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.494 -6.366 4.745 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.452 -5.326 5.124 1.00 0.00 C ATOM 1475 C VAL A 91 -2.877 -5.569 6.579 1.00 0.00 C ATOM 1476 O VAL A 91 -3.418 -6.632 6.905 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.701 -5.323 4.163 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.788 -4.330 4.636 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.266 -5.017 2.706 1.00 0.00 C ATOM 0 H VAL A 91 -1.933 -7.247 4.479 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.983 -4.346 5.035 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.141 -6.320 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.632 -4.358 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.126 -4.609 5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.374 -3.322 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.142 -5.019 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.788 -4.038 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.563 -5.778 2.369 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.601 -4.578 7.441 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.876 -4.626 8.881 1.00 0.00 C ATOM 1491 C VAL A 92 -4.002 -3.627 9.177 1.00 0.00 C ATOM 1492 O VAL A 92 -3.856 -2.450 8.887 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.594 -4.227 9.714 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -1.851 -4.323 11.238 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.369 -5.068 9.281 1.00 0.00 C ATOM 0 H VAL A 92 -2.170 -3.701 7.147 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.162 -5.639 9.164 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.368 -3.183 9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.947 -4.041 11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.663 -3.650 11.513 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.124 -5.346 11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.500 -4.774 9.869 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.577 -6.125 9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.166 -4.898 8.224 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.120 -4.085 9.737 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.243 -3.205 10.083 1.00 0.00 C ATOM 1507 C TYR A 93 -6.025 -2.643 11.490 1.00 0.00 C ATOM 1508 O TYR A 93 -5.773 -3.395 12.432 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.571 -3.979 9.983 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.813 -4.561 8.579 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.230 -3.744 7.524 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.596 -5.913 8.302 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.429 -4.255 6.255 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.798 -6.424 7.033 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.213 -5.590 6.016 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.411 -6.099 4.752 1.00 0.00 O ATOM 0 H TYR A 93 -5.276 -5.067 9.964 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.294 -2.372 9.382 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.571 -4.789 10.713 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.395 -3.315 10.244 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.400 -2.693 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.265 -6.570 9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.753 -3.607 5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.631 -7.473 6.839 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.214 -7.059 4.751 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.097 -1.309 11.598 1.00 0.00 N ATOM 1527 CA ILE A 94 -5.838 -0.539 12.828 1.00 0.00 C ATOM 1528 C ILE A 94 -7.083 0.325 13.114 1.00 0.00 C ATOM 1529 O ILE A 94 -7.577 0.996 12.209 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.564 0.392 12.637 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.283 -0.459 12.313 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -4.323 1.314 13.868 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.839 -1.414 13.419 1.00 0.00 C ATOM 0 H ILE A 94 -6.345 -0.715 10.807 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.642 -1.214 13.661 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.768 1.039 11.784 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.470 -1.038 11.409 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.461 0.222 12.091 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.442 1.932 13.693 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.192 1.955 14.018 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.166 0.702 14.756 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.948 -1.954 13.098 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.613 -0.846 14.321 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.638 -2.125 13.628 1.00 0.00 H new