USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 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 32 ASN : amide:sc= -2.57! C(o=-5.1!,f=-12!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 165:sc= -2.51 (180deg=-2.82) USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0.0619 USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0.0437 USER MOD Set 3.1: A 35 SER OG : rot -67:sc= 0.103 USER MOD Set 3.2: A 66 ASN : amide:sc= 0.406 X(o=0.51,f=0.55) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 30 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0033) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0067 USER MOD Single : A 37 MET CE :methyl -151:sc= -1.07 (180deg=-3.21!) USER MOD Single : A 39 SER OG : rot -89:sc= 1.2 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.341 K(o=-0.34,f=-4.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -109:sc= -0.422 USER MOD Single : A 64 GLN : amide:sc= 0.146 K(o=0.15,f=-0.63) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 76 THR OG1 : rot -52:sc= 0.133 USER MOD Single : A 81 GLN : amide:sc= -0.697 K(o=-0.7,f=-4.4!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.297 K(o=-0.3,f=-0.92) USER MOD Single : A 90 HIS : no HE2:sc= 0.195 K(o=0.19,f=-1.5) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc=-0.00432 X(o=-0.0043,f=-0.37) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -3.686 10.947 4.792 1.00 1.24 N ATOM 281 CA ASP A 24 -3.742 9.713 5.550 1.00 33.34 C ATOM 282 C ASP A 24 -3.253 8.643 4.581 1.00 32.10 C ATOM 283 O ASP A 24 -3.819 8.463 3.500 1.00 51.32 O ATOM 284 CB ASP A 24 -5.159 9.436 6.120 1.00 33.24 C ATOM 285 CG ASP A 24 -6.363 10.072 5.396 1.00 31.42 C ATOM 286 OD1 ASP A 24 -6.486 11.320 5.412 1.00 60.53 O ATOM 287 OD2 ASP A 24 -7.255 9.351 4.892 1.00 34.21 O ATOM 0 HA ASP A 24 -3.118 9.746 6.443 1.00 33.34 H new ATOM 0 HB2 ASP A 24 -5.309 8.356 6.134 1.00 33.24 H new ATOM 0 HB3 ASP A 24 -5.175 9.774 7.156 1.00 33.24 H new ATOM 291 N THR A 25 -2.087 8.062 4.872 1.00 11.53 N ATOM 292 CA THR A 25 -1.323 7.203 3.976 1.00 4.10 C ATOM 293 C THR A 25 -0.370 6.366 4.842 1.00 21.22 C ATOM 294 O THR A 25 0.247 6.907 5.770 1.00 73.35 O ATOM 295 CB THR A 25 -0.529 8.104 3.003 1.00 34.23 C ATOM 296 OG1 THR A 25 -1.377 8.995 2.297 1.00 41.41 O ATOM 297 CG2 THR A 25 0.270 7.310 1.970 1.00 72.11 C ATOM 0 H THR A 25 -1.634 8.185 5.777 1.00 11.53 H new ATOM 0 HA THR A 25 -1.967 6.541 3.397 1.00 4.10 H new ATOM 0 HB THR A 25 0.160 8.659 3.640 1.00 34.23 H new ATOM 0 HG1 THR A 25 -0.839 9.549 1.693 1.00 41.41 H new ATOM 0 HG21 THR A 25 0.805 7.999 1.316 1.00 72.11 H new ATOM 0 HG22 THR A 25 0.985 6.665 2.481 1.00 72.11 H new ATOM 0 HG23 THR A 25 -0.410 6.700 1.375 1.00 72.11 H new ATOM 305 N ILE A 26 -0.223 5.072 4.544 1.00 22.14 N ATOM 306 CA ILE A 26 0.841 4.238 5.106 1.00 72.45 C ATOM 307 C ILE A 26 1.976 4.205 4.074 1.00 63.12 C ATOM 308 O ILE A 26 1.760 4.372 2.869 1.00 23.02 O ATOM 309 CB ILE A 26 0.288 2.841 5.478 1.00 63.23 C ATOM 310 CG1 ILE A 26 -0.817 2.895 6.556 1.00 60.32 C ATOM 311 CG2 ILE A 26 1.370 1.830 5.907 1.00 73.22 C ATOM 312 CD1 ILE A 26 -0.400 3.493 7.903 1.00 20.40 C ATOM 0 H ILE A 26 -0.841 4.573 3.904 1.00 22.14 H new ATOM 0 HA ILE A 26 1.234 4.643 6.038 1.00 72.45 H new ATOM 0 HB ILE A 26 -0.148 2.484 4.545 1.00 63.23 H new ATOM 0 HG12 ILE A 26 -1.653 3.475 6.165 1.00 60.32 H new ATOM 0 HG13 ILE A 26 -1.183 1.883 6.726 1.00 60.32 H new ATOM 0 HG21 ILE A 26 0.901 0.877 6.151 1.00 73.22 H new ATOM 0 HG22 ILE A 26 2.079 1.687 5.091 1.00 73.22 H new ATOM 0 HG23 ILE A 26 1.896 2.210 6.783 1.00 73.22 H new ATOM 0 HD11 ILE A 26 -1.250 3.482 8.585 1.00 20.40 H new ATOM 0 HD12 ILE A 26 0.412 2.903 8.327 1.00 20.40 H new ATOM 0 HD13 ILE A 26 -0.065 4.520 7.757 1.00 20.40 H new ATOM 323 N ILE A 27 3.196 3.984 4.554 1.00 74.03 N ATOM 324 CA ILE A 27 4.424 3.922 3.769 1.00 42.54 C ATOM 325 C ILE A 27 5.098 2.594 4.121 1.00 23.44 C ATOM 326 O ILE A 27 4.727 1.963 5.111 1.00 64.25 O ATOM 327 CB ILE A 27 5.274 5.181 4.090 1.00 3.34 C ATOM 328 CG1 ILE A 27 6.316 5.574 3.024 1.00 11.40 C ATOM 329 CG2 ILE A 27 6.007 5.067 5.431 1.00 55.12 C ATOM 330 CD1 ILE A 27 5.677 6.265 1.824 1.00 23.22 C ATOM 0 H ILE A 27 3.363 3.836 5.549 1.00 74.03 H new ATOM 0 HA ILE A 27 4.262 3.938 2.691 1.00 42.54 H new ATOM 0 HB ILE A 27 4.518 5.966 4.119 1.00 3.34 H new ATOM 0 HG12 ILE A 27 7.058 6.236 3.470 1.00 11.40 H new ATOM 0 HG13 ILE A 27 6.845 4.682 2.689 1.00 11.40 H new ATOM 0 HG21 ILE A 27 6.586 5.973 5.607 1.00 55.12 H new ATOM 0 HG22 ILE A 27 5.280 4.939 6.233 1.00 55.12 H new ATOM 0 HG23 ILE A 27 6.676 4.207 5.408 1.00 55.12 H new ATOM 0 HD11 ILE A 27 6.449 6.523 1.099 1.00 23.22 H new ATOM 0 HD12 ILE A 27 4.954 5.594 1.360 1.00 23.22 H new ATOM 0 HD13 ILE A 27 5.171 7.172 2.154 1.00 23.22 H new ATOM 341 N LEU A 28 6.099 2.174 3.354 1.00 71.12 N ATOM 342 CA LEU A 28 6.992 1.075 3.706 1.00 52.22 C ATOM 343 C LEU A 28 8.410 1.624 3.681 1.00 3.33 C ATOM 344 O LEU A 28 8.699 2.517 2.883 1.00 4.52 O ATOM 345 CB LEU A 28 6.885 -0.096 2.719 1.00 0.32 C ATOM 346 CG LEU A 28 5.603 -0.947 2.734 1.00 73.02 C ATOM 347 CD1 LEU A 28 5.381 -1.608 4.092 1.00 23.21 C ATOM 348 CD2 LEU A 28 4.327 -0.206 2.318 1.00 74.13 C ATOM 0 H LEU A 28 6.317 2.597 2.452 1.00 71.12 H new ATOM 0 HA LEU A 28 6.718 0.691 4.689 1.00 52.22 H new ATOM 0 HB2 LEU A 28 7.006 0.305 1.713 1.00 0.32 H new ATOM 0 HB3 LEU A 28 7.729 -0.762 2.900 1.00 0.32 H new ATOM 0 HG LEU A 28 5.784 -1.704 1.971 1.00 73.02 H new ATOM 0 HD11 LEU A 28 4.466 -2.200 4.063 1.00 23.21 H new ATOM 0 HD12 LEU A 28 6.226 -2.256 4.324 1.00 23.21 H new ATOM 0 HD13 LEU A 28 5.292 -0.840 4.860 1.00 23.21 H new ATOM 0 HD21 LEU A 28 3.479 -0.890 2.361 1.00 74.13 H new ATOM 0 HD22 LEU A 28 4.154 0.630 2.996 1.00 74.13 H new ATOM 0 HD23 LEU A 28 4.440 0.170 1.301 1.00 74.13 H new ATOM 359 N ARG A 29 9.307 1.052 4.483 1.00 63.01 N ATOM 360 CA ARG A 29 10.746 1.307 4.484 1.00 54.35 C ATOM 361 C ARG A 29 11.446 -0.040 4.640 1.00 24.14 C ATOM 362 O ARG A 29 10.784 -1.064 4.839 1.00 33.12 O ATOM 363 CB ARG A 29 11.148 2.271 5.626 1.00 21.30 C ATOM 364 CG ARG A 29 10.335 3.574 5.689 1.00 41.23 C ATOM 365 CD ARG A 29 10.881 4.544 6.752 1.00 21.14 C ATOM 366 NE ARG A 29 11.916 5.445 6.224 1.00 21.33 N ATOM 367 CZ ARG A 29 12.535 6.426 6.895 1.00 21.23 C ATOM 368 NH1 ARG A 29 12.466 6.513 8.217 1.00 72.21 N ATOM 369 NH2 ARG A 29 13.208 7.346 6.213 1.00 21.04 N ATOM 0 H ARG A 29 9.036 0.363 5.185 1.00 63.01 H new ATOM 0 HA ARG A 29 11.041 1.789 3.552 1.00 54.35 H new ATOM 0 HB2 ARG A 29 11.044 1.748 6.577 1.00 21.30 H new ATOM 0 HB3 ARG A 29 12.203 2.523 5.515 1.00 21.30 H new ATOM 0 HG2 ARG A 29 10.352 4.059 4.713 1.00 41.23 H new ATOM 0 HG3 ARG A 29 9.294 3.341 5.912 1.00 41.23 H new ATOM 0 HD2 ARG A 29 10.059 5.138 7.152 1.00 21.14 H new ATOM 0 HD3 ARG A 29 11.294 3.971 7.582 1.00 21.14 H new ATOM 0 HE ARG A 29 12.190 5.310 5.251 1.00 21.33 H new ATOM 0 HH11 ARG A 29 11.933 5.823 8.746 1.00 72.21 H new ATOM 0 HH12 ARG A 29 12.946 7.270 8.704 1.00 72.21 H new ATOM 0 HH21 ARG A 29 13.248 7.299 5.195 1.00 21.04 H new ATOM 0 HH22 ARG A 29 13.685 8.100 6.707 1.00 21.04 H new ATOM 380 N ASN A 30 12.780 -0.025 4.612 1.00 55.11 N ATOM 381 CA ASN A 30 13.647 -1.205 4.653 1.00 35.00 C ATOM 382 C ASN A 30 13.198 -2.200 3.589 1.00 51.23 C ATOM 383 O ASN A 30 12.791 -3.329 3.876 1.00 24.33 O ATOM 384 CB ASN A 30 13.728 -1.817 6.058 1.00 14.24 C ATOM 385 CG ASN A 30 15.001 -2.621 6.245 1.00 63.44 C ATOM 386 OD1 ASN A 30 16.080 -2.045 6.385 1.00 54.41 O ATOM 387 ND2 ASN A 30 14.927 -3.938 6.269 1.00 64.15 N ATOM 0 H ASN A 30 13.308 0.846 4.558 1.00 55.11 H new ATOM 0 HA ASN A 30 14.668 -0.904 4.421 1.00 35.00 H new ATOM 0 HB2 ASN A 30 13.685 -1.023 6.804 1.00 14.24 H new ATOM 0 HB3 ASN A 30 12.863 -2.459 6.226 1.00 14.24 H new ATOM 0 HD21 ASN A 30 15.771 -4.494 6.405 1.00 64.15 H new ATOM 0 HD22 ASN A 30 14.025 -4.400 6.152 1.00 64.15 H new ATOM 393 N LEU A 31 13.216 -1.732 2.342 1.00 73.12 N ATOM 394 CA LEU A 31 12.970 -2.565 1.187 1.00 33.43 C ATOM 395 C LEU A 31 14.205 -2.541 0.306 1.00 72.41 C ATOM 396 O LEU A 31 14.976 -1.577 0.288 1.00 72.03 O ATOM 397 CB LEU A 31 11.701 -2.129 0.441 1.00 40.33 C ATOM 398 CG LEU A 31 10.386 -2.342 1.211 1.00 2.12 C ATOM 399 CD1 LEU A 31 9.179 -1.873 0.406 1.00 32.20 C ATOM 400 CD2 LEU A 31 10.171 -3.823 1.498 1.00 64.22 C ATOM 0 H LEU A 31 13.404 -0.756 2.113 1.00 73.12 H new ATOM 0 HA LEU A 31 12.785 -3.592 1.500 1.00 33.43 H new ATOM 0 HB2 LEU A 31 11.790 -1.072 0.191 1.00 40.33 H new ATOM 0 HB3 LEU A 31 11.646 -2.676 -0.500 1.00 40.33 H new ATOM 0 HG LEU A 31 10.472 -1.765 2.132 1.00 2.12 H new ATOM 0 HD11 LEU A 31 8.270 -2.040 0.983 1.00 32.20 H new ATOM 0 HD12 LEU A 31 9.279 -0.810 0.186 1.00 32.20 H new ATOM 0 HD13 LEU A 31 9.124 -2.433 -0.527 1.00 32.20 H new ATOM 0 HD21 LEU A 31 9.237 -3.956 2.043 1.00 64.22 H new ATOM 0 HD22 LEU A 31 10.124 -4.373 0.558 1.00 64.22 H new ATOM 0 HD23 LEU A 31 10.998 -4.201 2.099 1.00 64.22 H new ATOM 411 N ASN A 32 14.373 -3.635 -0.427 1.00 22.24 N ATOM 412 CA ASN A 32 15.561 -3.972 -1.188 1.00 71.14 C ATOM 413 C ASN A 32 15.253 -3.847 -2.674 1.00 23.12 C ATOM 414 O ASN A 32 14.071 -3.801 -3.041 1.00 52.44 O ATOM 415 CB ASN A 32 15.976 -5.395 -0.808 1.00 52.12 C ATOM 416 CG ASN A 32 15.031 -6.474 -1.289 1.00 41.42 C ATOM 417 OD1 ASN A 32 13.819 -6.361 -1.125 1.00 72.04 O ATOM 418 ND2 ASN A 32 15.541 -7.540 -1.851 1.00 53.52 N ATOM 0 H ASN A 32 13.645 -4.345 -0.508 1.00 22.24 H new ATOM 0 HA ASN A 32 16.386 -3.295 -0.965 1.00 71.14 H new ATOM 0 HB2 ASN A 32 16.968 -5.591 -1.214 1.00 52.12 H new ATOM 0 HB3 ASN A 32 16.058 -5.459 0.277 1.00 52.12 H new ATOM 0 HD21 ASN A 32 14.929 -8.295 -2.161 1.00 53.52 H new ATOM 0 HD22 ASN A 32 16.550 -7.616 -1.979 1.00 53.52 H new ATOM 424 N PRO A 33 16.279 -3.826 -3.545 1.00 25.23 N ATOM 425 CA PRO A 33 16.094 -3.601 -4.972 1.00 42.11 C ATOM 426 C PRO A 33 15.082 -4.569 -5.577 1.00 43.40 C ATOM 427 O PRO A 33 14.357 -4.184 -6.491 1.00 3.25 O ATOM 428 CB PRO A 33 17.476 -3.764 -5.621 1.00 62.34 C ATOM 429 CG PRO A 33 18.484 -3.750 -4.475 1.00 72.05 C ATOM 430 CD PRO A 33 17.669 -4.141 -3.246 1.00 73.21 C ATOM 0 HA PRO A 33 15.689 -2.605 -5.151 1.00 42.11 H new ATOM 0 HB2 PRO A 33 17.536 -4.697 -6.182 1.00 62.34 H new ATOM 0 HB3 PRO A 33 17.674 -2.956 -6.325 1.00 62.34 H new ATOM 0 HG2 PRO A 33 19.297 -4.454 -4.653 1.00 72.05 H new ATOM 0 HG3 PRO A 33 18.935 -2.765 -4.355 1.00 72.05 H new ATOM 0 HD2 PRO A 33 17.786 -5.202 -3.026 1.00 73.21 H new ATOM 0 HD3 PRO A 33 18.009 -3.594 -2.367 1.00 73.21 H new ATOM 435 N HIS A 34 14.963 -5.766 -5.000 1.00 71.42 N ATOM 436 CA HIS A 34 14.166 -6.858 -5.515 1.00 4.31 C ATOM 437 C HIS A 34 12.860 -7.110 -4.757 1.00 32.11 C ATOM 438 O HIS A 34 12.169 -8.063 -5.117 1.00 50.14 O ATOM 439 CB HIS A 34 15.062 -8.098 -5.552 1.00 4.41 C ATOM 440 CG HIS A 34 16.137 -7.956 -6.600 1.00 45.41 C ATOM 441 ND1 HIS A 34 15.935 -7.948 -7.961 1.00 1.55 N ATOM 442 CD2 HIS A 34 17.446 -7.627 -6.376 1.00 32.31 C ATOM 443 CE1 HIS A 34 17.106 -7.648 -8.546 1.00 4.43 C ATOM 444 NE2 HIS A 34 18.056 -7.426 -7.620 1.00 53.52 N ATOM 0 H HIS A 34 15.440 -6.000 -4.130 1.00 71.42 H new ATOM 0 HA HIS A 34 13.823 -6.592 -6.515 1.00 4.31 H new ATOM 0 HB2 HIS A 34 15.520 -8.250 -4.574 1.00 4.41 H new ATOM 0 HB3 HIS A 34 14.459 -8.981 -5.762 1.00 4.41 H new ATOM 0 HD2 HIS A 34 17.924 -7.538 -5.411 1.00 32.31 H new ATOM 0 HE1 HIS A 34 17.263 -7.593 -9.613 1.00 4.43 H new ATOM 0 HE2 HIS A 34 19.027 -7.164 -7.790 1.00 53.52 H new ATOM 451 N SER A 35 12.477 -6.318 -3.740 1.00 44.44 N ATOM 452 CA SER A 35 11.195 -6.550 -3.086 1.00 33.25 C ATOM 453 C SER A 35 10.034 -6.570 -4.085 1.00 11.45 C ATOM 454 O SER A 35 9.914 -5.703 -4.959 1.00 64.30 O ATOM 455 CB SER A 35 10.902 -5.530 -1.977 1.00 74.02 C ATOM 456 OG SER A 35 11.003 -4.181 -2.386 1.00 72.30 O ATOM 0 H SER A 35 13.021 -5.539 -3.369 1.00 44.44 H new ATOM 0 HA SER A 35 11.279 -7.535 -2.626 1.00 33.25 H new ATOM 0 HB2 SER A 35 9.897 -5.707 -1.593 1.00 74.02 H new ATOM 0 HB3 SER A 35 11.593 -5.700 -1.151 1.00 74.02 H new ATOM 0 HG SER A 35 11.937 -3.971 -2.594 1.00 72.30 H new ATOM 461 N THR A 36 9.159 -7.540 -3.891 1.00 44.41 N ATOM 462 CA THR A 36 7.911 -7.732 -4.610 1.00 54.44 C ATOM 463 C THR A 36 6.741 -7.396 -3.699 1.00 41.51 C ATOM 464 O THR A 36 6.878 -7.412 -2.469 1.00 34.43 O ATOM 465 CB THR A 36 7.863 -9.167 -5.162 1.00 24.32 C ATOM 466 OG1 THR A 36 8.519 -10.094 -4.312 1.00 22.32 O ATOM 467 CG2 THR A 36 8.549 -9.147 -6.524 1.00 45.31 C ATOM 0 H THR A 36 9.310 -8.259 -3.184 1.00 44.41 H new ATOM 0 HA THR A 36 7.843 -7.058 -5.464 1.00 54.44 H new ATOM 0 HB THR A 36 6.824 -9.489 -5.234 1.00 24.32 H new ATOM 0 HG1 THR A 36 8.462 -10.992 -4.701 1.00 22.32 H new ATOM 0 HG21 THR A 36 8.537 -10.149 -6.952 1.00 45.31 H new ATOM 0 HG22 THR A 36 8.021 -8.462 -7.188 1.00 45.31 H new ATOM 0 HG23 THR A 36 9.581 -8.815 -6.407 1.00 45.31 H new ATOM 475 N MET A 37 5.595 -7.036 -4.290 1.00 50.44 N ATOM 476 CA MET A 37 4.507 -6.444 -3.513 1.00 52.12 C ATOM 477 C MET A 37 3.866 -7.512 -2.623 1.00 34.05 C ATOM 478 O MET A 37 3.163 -7.192 -1.667 1.00 51.21 O ATOM 479 CB MET A 37 3.467 -5.776 -4.433 1.00 23.12 C ATOM 480 CG MET A 37 2.234 -6.634 -4.768 1.00 62.30 C ATOM 481 SD MET A 37 1.215 -6.089 -6.163 1.00 31.22 S ATOM 482 CE MET A 37 1.266 -4.291 -5.974 1.00 4.44 C ATOM 0 H MET A 37 5.402 -7.143 -5.286 1.00 50.44 H new ATOM 0 HA MET A 37 4.916 -5.662 -2.873 1.00 52.12 H new ATOM 0 HB2 MET A 37 3.129 -4.853 -3.961 1.00 23.12 H new ATOM 0 HB3 MET A 37 3.958 -5.496 -5.365 1.00 23.12 H new ATOM 0 HG2 MET A 37 2.572 -7.650 -4.971 1.00 62.30 H new ATOM 0 HG3 MET A 37 1.601 -6.680 -3.882 1.00 62.30 H new ATOM 0 HE1 MET A 37 0.349 -3.857 -6.373 1.00 4.44 H new ATOM 0 HE2 MET A 37 1.357 -4.039 -4.918 1.00 4.44 H new ATOM 0 HE3 MET A 37 2.123 -3.892 -6.517 1.00 4.44 H new ATOM 490 N ASP A 38 4.107 -8.785 -2.950 1.00 45.30 N ATOM 491 CA ASP A 38 3.501 -9.948 -2.326 1.00 11.54 C ATOM 492 C ASP A 38 3.866 -10.039 -0.852 1.00 23.25 C ATOM 493 O ASP A 38 3.072 -10.554 -0.065 1.00 52.40 O ATOM 494 CB ASP A 38 3.944 -11.212 -3.067 1.00 2.45 C ATOM 495 CG ASP A 38 3.300 -11.220 -4.442 1.00 31.05 C ATOM 496 OD1 ASP A 38 3.824 -10.506 -5.332 1.00 21.03 O ATOM 497 OD2 ASP A 38 2.201 -11.795 -4.575 1.00 62.12 O ATOM 0 H ASP A 38 4.761 -9.036 -3.692 1.00 45.30 H new ATOM 0 HA ASP A 38 2.417 -9.851 -2.389 1.00 11.54 H new ATOM 0 HB2 ASP A 38 5.030 -11.236 -3.158 1.00 2.45 H new ATOM 0 HB3 ASP A 38 3.651 -12.100 -2.507 1.00 2.45 H new ATOM 501 N SER A 39 5.029 -9.489 -0.478 1.00 31.25 N ATOM 502 CA SER A 39 5.432 -9.254 0.899 1.00 24.31 C ATOM 503 C SER A 39 4.311 -8.525 1.644 1.00 54.14 C ATOM 504 O SER A 39 3.736 -9.065 2.588 1.00 44.52 O ATOM 505 CB SER A 39 6.777 -8.505 0.939 1.00 25.35 C ATOM 506 OG SER A 39 6.786 -7.299 0.186 1.00 5.32 O ATOM 0 H SER A 39 5.732 -9.189 -1.154 1.00 31.25 H new ATOM 0 HA SER A 39 5.593 -10.202 1.413 1.00 24.31 H new ATOM 0 HB2 SER A 39 7.024 -8.277 1.976 1.00 25.35 H new ATOM 0 HB3 SER A 39 7.560 -9.163 0.562 1.00 25.35 H new ATOM 0 HG SER A 39 7.060 -7.490 -0.735 1.00 5.32 H new ATOM 511 N ILE A 40 3.949 -7.339 1.156 1.00 65.11 N ATOM 512 CA ILE A 40 3.001 -6.430 1.778 1.00 22.03 C ATOM 513 C ILE A 40 1.611 -7.070 1.721 1.00 74.02 C ATOM 514 O ILE A 40 0.917 -7.148 2.731 1.00 41.30 O ATOM 515 CB ILE A 40 3.083 -5.062 1.054 1.00 1.34 C ATOM 516 CG1 ILE A 40 4.508 -4.449 1.134 1.00 64.21 C ATOM 517 CG2 ILE A 40 2.068 -4.049 1.609 1.00 4.53 C ATOM 518 CD1 ILE A 40 4.954 -3.809 -0.188 1.00 22.32 C ATOM 0 H ILE A 40 4.326 -6.975 0.281 1.00 65.11 H new ATOM 0 HA ILE A 40 3.229 -6.249 2.828 1.00 22.03 H new ATOM 0 HB ILE A 40 2.841 -5.265 0.011 1.00 1.34 H new ATOM 0 HG12 ILE A 40 4.532 -3.697 1.923 1.00 64.21 H new ATOM 0 HG13 ILE A 40 5.218 -5.227 1.414 1.00 64.21 H new ATOM 0 HG21 ILE A 40 2.163 -3.106 1.071 1.00 4.53 H new ATOM 0 HG22 ILE A 40 1.058 -4.439 1.482 1.00 4.53 H new ATOM 0 HG23 ILE A 40 2.262 -3.883 2.669 1.00 4.53 H new ATOM 0 HD11 ILE A 40 5.957 -3.397 -0.073 1.00 22.32 H new ATOM 0 HD12 ILE A 40 4.960 -4.564 -0.974 1.00 22.32 H new ATOM 0 HD13 ILE A 40 4.263 -3.011 -0.457 1.00 22.32 H new ATOM 529 N LEU A 41 1.198 -7.561 0.549 1.00 24.11 N ATOM 530 CA LEU A 41 -0.140 -8.119 0.382 1.00 63.34 C ATOM 531 C LEU A 41 -0.372 -9.321 1.288 1.00 31.14 C ATOM 532 O LEU A 41 -1.460 -9.436 1.858 1.00 23.32 O ATOM 533 CB LEU A 41 -0.393 -8.510 -1.078 1.00 24.25 C ATOM 534 CG LEU A 41 -0.740 -7.317 -1.972 1.00 31.32 C ATOM 535 CD1 LEU A 41 -0.871 -7.812 -3.412 1.00 4.55 C ATOM 536 CD2 LEU A 41 -2.056 -6.633 -1.571 1.00 1.21 C ATOM 0 H LEU A 41 1.772 -7.582 -0.294 1.00 24.11 H new ATOM 0 HA LEU A 41 -0.846 -7.339 0.669 1.00 63.34 H new ATOM 0 HB2 LEU A 41 0.494 -9.006 -1.473 1.00 24.25 H new ATOM 0 HB3 LEU A 41 -1.207 -9.234 -1.117 1.00 24.25 H new ATOM 0 HG LEU A 41 0.058 -6.583 -1.864 1.00 31.32 H new ATOM 0 HD11 LEU A 41 -1.118 -6.974 -4.064 1.00 4.55 H new ATOM 0 HD12 LEU A 41 0.072 -8.254 -3.732 1.00 4.55 H new ATOM 0 HD13 LEU A 41 -1.661 -8.561 -3.469 1.00 4.55 H new ATOM 0 HD21 LEU A 41 -2.249 -5.795 -2.241 1.00 1.21 H new ATOM 0 HD22 LEU A 41 -2.874 -7.349 -1.641 1.00 1.21 H new ATOM 0 HD23 LEU A 41 -1.979 -6.269 -0.547 1.00 1.21 H new ATOM 547 N GLY A 42 0.615 -10.210 1.409 1.00 61.10 N ATOM 548 CA GLY A 42 0.504 -11.408 2.227 1.00 31.32 C ATOM 549 C GLY A 42 0.645 -11.084 3.708 1.00 3.54 C ATOM 550 O GLY A 42 0.018 -11.751 4.529 1.00 10.44 O ATOM 0 H GLY A 42 1.515 -10.115 0.939 1.00 61.10 H new ATOM 0 HA2 GLY A 42 -0.459 -11.885 2.047 1.00 31.32 H new ATOM 0 HA3 GLY A 42 1.273 -12.123 1.934 1.00 31.32 H new ATOM 554 N ALA A 43 1.406 -10.040 4.065 1.00 11.21 N ATOM 555 CA ALA A 43 1.534 -9.578 5.439 1.00 13.22 C ATOM 556 C ALA A 43 0.164 -9.158 5.955 1.00 72.42 C ATOM 557 O ALA A 43 -0.271 -9.574 7.028 1.00 30.12 O ATOM 558 CB ALA A 43 2.497 -8.385 5.520 1.00 23.11 C ATOM 0 H ALA A 43 1.951 -9.494 3.398 1.00 11.21 H new ATOM 0 HA ALA A 43 1.932 -10.389 6.049 1.00 13.22 H new ATOM 0 HB1 ALA A 43 2.580 -8.054 6.555 1.00 23.11 H new ATOM 0 HB2 ALA A 43 3.479 -8.685 5.155 1.00 23.11 H new ATOM 0 HB3 ALA A 43 2.117 -7.568 4.907 1.00 23.11 H new ATOM 564 N LEU A 44 -0.498 -8.297 5.184 1.00 30.45 N ATOM 565 CA LEU A 44 -1.586 -7.476 5.685 1.00 61.41 C ATOM 566 C LEU A 44 -2.951 -8.106 5.438 1.00 23.04 C ATOM 567 O LEU A 44 -3.935 -7.607 5.974 1.00 72.33 O ATOM 568 CB LEU A 44 -1.472 -6.074 5.063 1.00 1.12 C ATOM 569 CG LEU A 44 -0.139 -5.354 5.370 1.00 52.44 C ATOM 570 CD1 LEU A 44 -0.215 -3.897 4.911 1.00 52.40 C ATOM 571 CD2 LEU A 44 0.240 -5.416 6.851 1.00 34.11 C ATOM 0 H LEU A 44 -0.291 -8.153 4.196 1.00 30.45 H new ATOM 0 HA LEU A 44 -1.500 -7.396 6.769 1.00 61.41 H new ATOM 0 HB2 LEU A 44 -1.587 -6.157 3.982 1.00 1.12 H new ATOM 0 HB3 LEU A 44 -2.296 -5.459 5.425 1.00 1.12 H new ATOM 0 HG LEU A 44 0.641 -5.878 4.819 1.00 52.44 H new ATOM 0 HD11 LEU A 44 0.728 -3.397 5.131 1.00 52.40 H new ATOM 0 HD12 LEU A 44 -0.402 -3.863 3.838 1.00 52.40 H new ATOM 0 HD13 LEU A 44 -1.025 -3.392 5.437 1.00 52.40 H new ATOM 0 HD21 LEU A 44 1.184 -4.894 7.007 1.00 34.11 H new ATOM 0 HD22 LEU A 44 -0.540 -4.941 7.446 1.00 34.11 H new ATOM 0 HD23 LEU A 44 0.346 -6.457 7.156 1.00 34.11 H new ATOM 582 N ALA A 45 -3.008 -9.204 4.678 1.00 61.43 N ATOM 583 CA ALA A 45 -4.231 -9.880 4.268 1.00 23.24 C ATOM 584 C ALA A 45 -5.230 -10.104 5.419 1.00 61.34 C ATOM 585 O ALA A 45 -6.346 -9.596 5.307 1.00 10.15 O ATOM 586 CB ALA A 45 -3.881 -11.172 3.520 1.00 22.25 C ATOM 0 H ALA A 45 -2.168 -9.659 4.321 1.00 61.43 H new ATOM 0 HA ALA A 45 -4.762 -9.218 3.584 1.00 23.24 H new ATOM 0 HB1 ALA A 45 -4.798 -11.675 3.215 1.00 22.25 H new ATOM 0 HB2 ALA A 45 -3.288 -10.932 2.638 1.00 22.25 H new ATOM 0 HB3 ALA A 45 -3.308 -11.828 4.175 1.00 22.25 H new ATOM 592 N PRO A 46 -4.901 -10.814 6.516 1.00 14.11 N ATOM 593 CA PRO A 46 -5.870 -11.067 7.586 1.00 43.41 C ATOM 594 C PRO A 46 -6.209 -9.832 8.425 1.00 70.20 C ATOM 595 O PRO A 46 -7.132 -9.879 9.235 1.00 72.23 O ATOM 596 CB PRO A 46 -5.245 -12.157 8.460 1.00 63.40 C ATOM 597 CG PRO A 46 -3.745 -11.960 8.249 1.00 74.42 C ATOM 598 CD PRO A 46 -3.651 -11.507 6.796 1.00 1.24 C ATOM 0 HA PRO A 46 -6.823 -11.367 7.149 1.00 43.41 H new ATOM 0 HB2 PRO A 46 -5.522 -12.041 9.508 1.00 63.40 H new ATOM 0 HB3 PRO A 46 -5.567 -13.152 8.153 1.00 63.40 H new ATOM 0 HG2 PRO A 46 -3.338 -11.213 8.930 1.00 74.42 H new ATOM 0 HG3 PRO A 46 -3.190 -12.883 8.419 1.00 74.42 H new ATOM 0 HD2 PRO A 46 -2.796 -10.848 6.646 1.00 1.24 H new ATOM 0 HD3 PRO A 46 -3.518 -12.358 6.129 1.00 1.24 H new ATOM 603 N TYR A 47 -5.479 -8.733 8.250 1.00 65.44 N ATOM 604 CA TYR A 47 -5.574 -7.535 9.072 1.00 74.34 C ATOM 605 C TYR A 47 -6.203 -6.386 8.286 1.00 25.34 C ATOM 606 O TYR A 47 -6.172 -5.234 8.728 1.00 0.11 O ATOM 607 CB TYR A 47 -4.167 -7.178 9.571 1.00 12.42 C ATOM 608 CG TYR A 47 -3.392 -8.343 10.166 1.00 64.43 C ATOM 609 CD1 TYR A 47 -4.014 -9.204 11.088 1.00 1.15 C ATOM 610 CD2 TYR A 47 -2.072 -8.607 9.748 1.00 43.52 C ATOM 611 CE1 TYR A 47 -3.318 -10.303 11.617 1.00 24.42 C ATOM 612 CE2 TYR A 47 -1.368 -9.711 10.265 1.00 51.53 C ATOM 613 CZ TYR A 47 -1.991 -10.559 11.208 1.00 5.32 C ATOM 614 OH TYR A 47 -1.319 -11.610 11.746 1.00 50.24 O ATOM 0 H TYR A 47 -4.784 -8.652 7.508 1.00 65.44 H new ATOM 0 HA TYR A 47 -6.222 -7.719 9.929 1.00 74.34 H new ATOM 0 HB2 TYR A 47 -3.595 -6.765 8.740 1.00 12.42 H new ATOM 0 HB3 TYR A 47 -4.251 -6.393 10.322 1.00 12.42 H new ATOM 0 HD1 TYR A 47 -5.034 -9.019 11.391 1.00 1.15 H new ATOM 0 HD2 TYR A 47 -1.598 -7.958 9.027 1.00 43.52 H new ATOM 0 HE1 TYR A 47 -3.797 -10.951 12.336 1.00 24.42 H new ATOM 0 HE2 TYR A 47 -0.356 -9.909 9.942 1.00 51.53 H new ATOM 0 HH TYR A 47 -0.418 -11.654 11.362 1.00 50.24 H new ATOM 623 N ALA A 48 -6.706 -6.662 7.082 1.00 62.13 N ATOM 624 CA ALA A 48 -7.159 -5.627 6.172 1.00 45.42 C ATOM 625 C ALA A 48 -8.231 -6.131 5.220 1.00 30.25 C ATOM 626 O ALA A 48 -8.514 -7.325 5.126 1.00 25.42 O ATOM 627 CB ALA A 48 -5.954 -5.101 5.379 1.00 34.33 C ATOM 0 H ALA A 48 -6.808 -7.609 6.717 1.00 62.13 H new ATOM 0 HA ALA A 48 -7.606 -4.826 6.760 1.00 45.42 H new ATOM 0 HB1 ALA A 48 -6.283 -4.322 4.691 1.00 34.33 H new ATOM 0 HB2 ALA A 48 -5.217 -4.689 6.068 1.00 34.33 H new ATOM 0 HB3 ALA A 48 -5.506 -5.918 4.814 1.00 34.33 H new ATOM 633 N VAL A 49 -8.777 -5.186 4.466 1.00 1.54 N ATOM 634 CA VAL A 49 -9.698 -5.377 3.372 1.00 44.50 C ATOM 635 C VAL A 49 -9.183 -4.451 2.271 1.00 52.54 C ATOM 636 O VAL A 49 -9.551 -3.281 2.178 1.00 33.41 O ATOM 637 CB VAL A 49 -11.138 -5.178 3.878 1.00 43.30 C ATOM 638 CG1 VAL A 49 -11.374 -3.874 4.647 1.00 51.21 C ATOM 639 CG2 VAL A 49 -12.157 -5.312 2.745 1.00 51.20 C ATOM 0 H VAL A 49 -8.568 -4.200 4.620 1.00 1.54 H new ATOM 0 HA VAL A 49 -9.744 -6.380 2.948 1.00 44.50 H new ATOM 0 HB VAL A 49 -11.284 -5.983 4.598 1.00 43.30 H new ATOM 0 HG11 VAL A 49 -12.416 -3.822 4.964 1.00 51.21 H new ATOM 0 HG12 VAL A 49 -10.727 -3.846 5.523 1.00 51.21 H new ATOM 0 HG13 VAL A 49 -11.148 -3.025 4.002 1.00 51.21 H new ATOM 0 HG21 VAL A 49 -13.162 -5.165 3.140 1.00 51.20 H new ATOM 0 HG22 VAL A 49 -11.954 -4.560 1.982 1.00 51.20 H new ATOM 0 HG23 VAL A 49 -12.082 -6.306 2.304 1.00 51.20 H new ATOM 649 N LEU A 50 -8.185 -4.929 1.530 1.00 75.21 N ATOM 650 CA LEU A 50 -7.475 -4.183 0.495 1.00 31.35 C ATOM 651 C LEU A 50 -6.867 -5.159 -0.510 1.00 3.42 C ATOM 652 O LEU A 50 -6.860 -6.371 -0.269 1.00 50.30 O ATOM 653 CB LEU A 50 -6.444 -3.233 1.106 1.00 63.41 C ATOM 654 CG LEU A 50 -5.304 -3.843 1.930 1.00 21.22 C ATOM 655 CD1 LEU A 50 -4.137 -4.330 1.069 1.00 61.21 C ATOM 656 CD2 LEU A 50 -4.803 -2.725 2.840 1.00 71.44 C ATOM 0 H LEU A 50 -7.837 -5.881 1.639 1.00 75.21 H new ATOM 0 HA LEU A 50 -8.178 -3.549 -0.045 1.00 31.35 H new ATOM 0 HB2 LEU A 50 -5.999 -2.657 0.295 1.00 63.41 H new ATOM 0 HB3 LEU A 50 -6.977 -2.527 1.744 1.00 63.41 H new ATOM 0 HG LEU A 50 -5.677 -4.713 2.470 1.00 21.22 H new ATOM 0 HD11 LEU A 50 -3.363 -4.751 1.710 1.00 61.21 H new ATOM 0 HD12 LEU A 50 -4.490 -5.094 0.377 1.00 61.21 H new ATOM 0 HD13 LEU A 50 -3.726 -3.492 0.506 1.00 61.21 H new ATOM 0 HD21 LEU A 50 -3.985 -3.097 3.457 1.00 71.44 H new ATOM 0 HD22 LEU A 50 -4.449 -1.892 2.232 1.00 71.44 H new ATOM 0 HD23 LEU A 50 -5.616 -2.386 3.482 1.00 71.44 H new ATOM 667 N SER A 51 -6.346 -4.642 -1.622 1.00 52.21 N ATOM 668 CA SER A 51 -5.822 -5.431 -2.725 1.00 52.43 C ATOM 669 C SER A 51 -4.610 -4.739 -3.359 1.00 32.05 C ATOM 670 O SER A 51 -4.148 -3.697 -2.890 1.00 62.00 O ATOM 671 CB SER A 51 -6.964 -5.640 -3.725 1.00 30.15 C ATOM 672 OG SER A 51 -6.705 -6.741 -4.565 1.00 41.12 O ATOM 0 H SER A 51 -6.277 -3.637 -1.780 1.00 52.21 H new ATOM 0 HA SER A 51 -5.466 -6.401 -2.377 1.00 52.43 H new ATOM 0 HB2 SER A 51 -7.898 -5.800 -3.187 1.00 30.15 H new ATOM 0 HB3 SER A 51 -7.094 -4.741 -4.328 1.00 30.15 H new ATOM 0 HG SER A 51 -7.449 -6.855 -5.193 1.00 41.12 H new ATOM 677 N SER A 52 -4.093 -5.334 -4.433 1.00 43.42 N ATOM 678 CA SER A 52 -2.892 -4.950 -5.174 1.00 5.44 C ATOM 679 C SER A 52 -2.979 -3.558 -5.828 1.00 2.14 C ATOM 680 O SER A 52 -1.964 -3.019 -6.277 1.00 12.45 O ATOM 681 CB SER A 52 -2.631 -6.060 -6.202 1.00 3.14 C ATOM 682 OG SER A 52 -3.820 -6.349 -6.925 1.00 31.45 O ATOM 0 H SER A 52 -4.536 -6.159 -4.838 1.00 43.42 H new ATOM 0 HA SER A 52 -2.057 -4.853 -4.481 1.00 5.44 H new ATOM 0 HB2 SER A 52 -1.844 -5.751 -6.890 1.00 3.14 H new ATOM 0 HB3 SER A 52 -2.277 -6.958 -5.696 1.00 3.14 H new ATOM 0 HG SER A 52 -3.641 -7.057 -7.579 1.00 31.45 H new ATOM 687 N SER A 53 -4.172 -2.961 -5.855 1.00 61.20 N ATOM 688 CA SER A 53 -4.389 -1.567 -6.216 1.00 32.53 C ATOM 689 C SER A 53 -4.000 -0.612 -5.079 1.00 73.23 C ATOM 690 O SER A 53 -3.428 0.450 -5.329 1.00 35.32 O ATOM 691 CB SER A 53 -5.871 -1.398 -6.547 1.00 51.23 C ATOM 692 OG SER A 53 -6.186 -2.082 -7.747 1.00 33.55 O ATOM 0 H SER A 53 -5.035 -3.451 -5.619 1.00 61.20 H new ATOM 0 HA SER A 53 -3.760 -1.318 -7.071 1.00 32.53 H new ATOM 0 HB2 SER A 53 -6.480 -1.784 -5.729 1.00 51.23 H new ATOM 0 HB3 SER A 53 -6.110 -0.339 -6.650 1.00 51.23 H new ATOM 0 HG SER A 53 -7.138 -1.968 -7.948 1.00 33.55 H new ATOM 697 N ASN A 54 -4.348 -0.954 -3.835 1.00 64.43 N ATOM 698 CA ASN A 54 -4.153 -0.099 -2.663 1.00 12.24 C ATOM 699 C ASN A 54 -2.672 0.075 -2.375 1.00 42.30 C ATOM 700 O ASN A 54 -2.219 1.177 -2.067 1.00 2.21 O ATOM 701 CB ASN A 54 -4.777 -0.707 -1.402 1.00 64.34 C ATOM 702 CG ASN A 54 -6.274 -0.893 -1.520 1.00 2.33 C ATOM 703 OD1 ASN A 54 -6.720 -1.812 -2.207 1.00 53.43 O ATOM 704 ND2 ASN A 54 -7.038 -0.089 -0.809 1.00 4.15 N ATOM 0 H ASN A 54 -4.781 -1.850 -3.611 1.00 64.43 H new ATOM 0 HA ASN A 54 -4.631 0.853 -2.896 1.00 12.24 H new ATOM 0 HB2 ASN A 54 -4.310 -1.671 -1.200 1.00 64.34 H new ATOM 0 HB3 ASN A 54 -4.561 -0.064 -0.549 1.00 64.34 H new ATOM 0 HD21 ASN A 54 -8.050 -0.213 -0.811 1.00 4.15 H new ATOM 0 HD22 ASN A 54 -6.617 0.658 -0.256 1.00 4.15 H new ATOM 710 N VAL A 55 -1.929 -1.032 -2.400 1.00 35.12 N ATOM 711 CA VAL A 55 -0.478 -1.045 -2.315 1.00 41.21 C ATOM 712 C VAL A 55 0.077 -0.477 -3.626 1.00 11.32 C ATOM 713 O VAL A 55 -0.441 -0.751 -4.707 1.00 13.34 O ATOM 714 CB VAL A 55 0.014 -2.475 -1.988 1.00 41.51 C ATOM 715 CG1 VAL A 55 -0.575 -3.542 -2.909 1.00 1.41 C ATOM 716 CG2 VAL A 55 1.547 -2.576 -1.958 1.00 62.21 C ATOM 0 H VAL A 55 -2.335 -1.964 -2.482 1.00 35.12 H new ATOM 0 HA VAL A 55 -0.111 -0.416 -1.504 1.00 41.21 H new ATOM 0 HB VAL A 55 -0.358 -2.677 -0.984 1.00 41.51 H new ATOM 0 HG11 VAL A 55 -0.189 -4.521 -2.625 1.00 1.41 H new ATOM 0 HG12 VAL A 55 -1.661 -3.540 -2.820 1.00 1.41 H new ATOM 0 HG13 VAL A 55 -0.296 -3.327 -3.940 1.00 1.41 H new ATOM 0 HG21 VAL A 55 1.840 -3.600 -1.724 1.00 62.21 H new ATOM 0 HG22 VAL A 55 1.949 -2.297 -2.932 1.00 62.21 H new ATOM 0 HG23 VAL A 55 1.941 -1.903 -1.197 1.00 62.21 H new ATOM 726 N ARG A 56 1.148 0.312 -3.547 1.00 71.10 N ATOM 727 CA ARG A 56 1.811 0.872 -4.710 1.00 43.51 C ATOM 728 C ARG A 56 3.299 0.879 -4.423 1.00 71.33 C ATOM 729 O ARG A 56 3.761 1.608 -3.544 1.00 11.12 O ATOM 730 CB ARG A 56 1.232 2.266 -5.009 1.00 73.21 C ATOM 731 CG ARG A 56 1.381 2.689 -6.475 1.00 0.25 C ATOM 732 CD ARG A 56 0.300 2.075 -7.389 1.00 23.15 C ATOM 733 NE ARG A 56 0.781 0.962 -8.223 1.00 32.15 N ATOM 734 CZ ARG A 56 1.556 1.037 -9.312 1.00 72.11 C ATOM 735 NH1 ARG A 56 2.102 2.192 -9.686 1.00 55.20 N ATOM 736 NH2 ARG A 56 1.774 -0.060 -10.024 1.00 2.22 N ATOM 0 H ARG A 56 1.579 0.579 -2.662 1.00 71.10 H new ATOM 0 HA ARG A 56 1.643 0.280 -5.609 1.00 43.51 H new ATOM 0 HB2 ARG A 56 0.175 2.277 -4.742 1.00 73.21 H new ATOM 0 HB3 ARG A 56 1.729 3.001 -4.375 1.00 73.21 H new ATOM 0 HG2 ARG A 56 1.331 3.776 -6.541 1.00 0.25 H new ATOM 0 HG3 ARG A 56 2.366 2.392 -6.835 1.00 0.25 H new ATOM 0 HD2 ARG A 56 -0.525 1.722 -6.771 1.00 23.15 H new ATOM 0 HD3 ARG A 56 -0.099 2.855 -8.037 1.00 23.15 H new ATOM 0 HE ARG A 56 0.491 0.026 -7.939 1.00 32.15 H new ATOM 0 HH11 ARG A 56 1.932 3.037 -9.140 1.00 55.20 H new ATOM 0 HH12 ARG A 56 2.690 2.232 -10.518 1.00 55.20 H new ATOM 0 HH21 ARG A 56 1.354 -0.945 -9.739 1.00 2.22 H new ATOM 0 HH22 ARG A 56 2.362 -0.019 -10.856 1.00 2.22 H new ATOM 747 N VAL A 57 4.055 0.034 -5.116 1.00 40.50 N ATOM 748 CA VAL A 57 5.491 -0.084 -4.941 1.00 13.41 C ATOM 749 C VAL A 57 6.174 0.538 -6.155 1.00 72.02 C ATOM 750 O VAL A 57 6.198 -0.011 -7.258 1.00 55.53 O ATOM 751 CB VAL A 57 5.888 -1.516 -4.553 1.00 4.52 C ATOM 752 CG1 VAL A 57 5.503 -2.608 -5.553 1.00 35.23 C ATOM 753 CG2 VAL A 57 7.399 -1.562 -4.282 1.00 34.45 C ATOM 0 H VAL A 57 3.678 -0.596 -5.824 1.00 40.50 H new ATOM 0 HA VAL A 57 5.855 0.487 -4.087 1.00 13.41 H new ATOM 0 HB VAL A 57 5.308 -1.747 -3.659 1.00 4.52 H new ATOM 0 HG11 VAL A 57 5.832 -3.577 -5.178 1.00 35.23 H new ATOM 0 HG12 VAL A 57 4.421 -2.617 -5.683 1.00 35.23 H new ATOM 0 HG13 VAL A 57 5.982 -2.409 -6.512 1.00 35.23 H new ATOM 0 HG21 VAL A 57 7.688 -2.576 -4.006 1.00 34.45 H new ATOM 0 HG22 VAL A 57 7.939 -1.262 -5.180 1.00 34.45 H new ATOM 0 HG23 VAL A 57 7.643 -0.880 -3.467 1.00 34.45 H new ATOM 763 N ILE A 58 6.646 1.758 -5.941 1.00 2.33 N ATOM 764 CA ILE A 58 7.358 2.581 -6.912 1.00 13.23 C ATOM 765 C ILE A 58 8.739 1.966 -7.210 1.00 54.50 C ATOM 766 O ILE A 58 9.315 1.298 -6.349 1.00 20.24 O ATOM 767 CB ILE A 58 7.444 4.012 -6.319 1.00 20.14 C ATOM 768 CG1 ILE A 58 6.107 4.533 -5.725 1.00 0.15 C ATOM 769 CG2 ILE A 58 7.985 5.051 -7.310 1.00 60.11 C ATOM 770 CD1 ILE A 58 4.902 4.462 -6.671 1.00 13.33 C ATOM 0 H ILE A 58 6.538 2.225 -5.041 1.00 2.33 H new ATOM 0 HA ILE A 58 6.839 2.627 -7.869 1.00 13.23 H new ATOM 0 HB ILE A 58 8.157 3.898 -5.502 1.00 20.14 H new ATOM 0 HG12 ILE A 58 5.878 3.959 -4.827 1.00 0.15 H new ATOM 0 HG13 ILE A 58 6.245 5.569 -5.415 1.00 0.15 H new ATOM 0 HG21 ILE A 58 8.018 6.029 -6.830 1.00 60.11 H new ATOM 0 HG22 ILE A 58 8.989 4.766 -7.624 1.00 60.11 H new ATOM 0 HG23 ILE A 58 7.332 5.097 -8.182 1.00 60.11 H new ATOM 0 HD11 ILE A 58 4.018 4.848 -6.164 1.00 13.33 H new ATOM 0 HD12 ILE A 58 5.101 5.061 -7.560 1.00 13.33 H new ATOM 0 HD13 ILE A 58 4.729 3.426 -6.963 1.00 13.33 H new ATOM 781 N LYS A 59 9.293 2.219 -8.400 1.00 4.41 N ATOM 782 CA LYS A 59 10.634 1.794 -8.822 1.00 12.21 C ATOM 783 C LYS A 59 11.497 3.021 -9.117 1.00 52.40 C ATOM 784 O LYS A 59 11.032 4.154 -9.006 1.00 55.23 O ATOM 785 CB LYS A 59 10.564 0.883 -10.064 1.00 55.10 C ATOM 786 CG LYS A 59 9.782 -0.408 -9.788 1.00 23.22 C ATOM 787 CD LYS A 59 9.780 -1.325 -11.024 1.00 73.13 C ATOM 788 CE LYS A 59 8.608 -1.064 -11.975 1.00 4.22 C ATOM 789 NZ LYS A 59 7.334 -1.602 -11.457 1.00 40.40 N ATOM 0 H LYS A 59 8.803 2.745 -9.124 1.00 4.41 H new ATOM 0 HA LYS A 59 11.084 1.222 -8.010 1.00 12.21 H new ATOM 0 HB2 LYS A 59 10.092 1.424 -10.884 1.00 55.10 H new ATOM 0 HB3 LYS A 59 11.574 0.633 -10.387 1.00 55.10 H new ATOM 0 HG2 LYS A 59 10.226 -0.933 -8.942 1.00 23.22 H new ATOM 0 HG3 LYS A 59 8.757 -0.164 -9.510 1.00 23.22 H new ATOM 0 HD2 LYS A 59 10.715 -1.192 -11.567 1.00 73.13 H new ATOM 0 HD3 LYS A 59 9.747 -2.364 -10.696 1.00 73.13 H new ATOM 0 HE2 LYS A 59 8.507 0.009 -12.137 1.00 4.22 H new ATOM 0 HE3 LYS A 59 8.822 -1.514 -12.944 1.00 4.22 H new ATOM 0 HZ1 LYS A 59 6.571 -1.401 -12.135 1.00 40.40 H new ATOM 0 HZ2 LYS A 59 7.419 -2.630 -11.326 1.00 40.40 H new ATOM 0 HZ3 LYS A 59 7.113 -1.154 -10.545 1.00 40.40 H new ATOM 799 N ASP A 60 12.760 2.801 -9.474 1.00 53.23 N ATOM 800 CA ASP A 60 13.613 3.810 -10.095 1.00 44.11 C ATOM 801 C ASP A 60 13.161 4.092 -11.538 1.00 51.32 C ATOM 802 O ASP A 60 12.174 3.524 -12.021 1.00 61.10 O ATOM 803 CB ASP A 60 15.064 3.324 -10.013 1.00 61.44 C ATOM 804 CG ASP A 60 16.044 4.424 -10.392 1.00 24.41 C ATOM 805 OD1 ASP A 60 16.209 5.379 -9.590 1.00 61.04 O ATOM 806 OD2 ASP A 60 16.597 4.405 -11.504 1.00 34.31 O ATOM 0 H ASP A 60 13.226 1.904 -9.338 1.00 53.23 H new ATOM 0 HA ASP A 60 13.534 4.760 -9.566 1.00 44.11 H new ATOM 0 HB2 ASP A 60 15.276 2.979 -9.001 1.00 61.44 H new ATOM 0 HB3 ASP A 60 15.200 2.470 -10.676 1.00 61.44 H new ATOM 810 N LYS A 61 13.854 4.996 -12.235 1.00 60.30 N ATOM 811 CA LYS A 61 13.617 5.393 -13.616 1.00 22.02 C ATOM 812 C LYS A 61 14.703 4.836 -14.532 1.00 64.04 C ATOM 813 O LYS A 61 14.371 4.288 -15.585 1.00 41.11 O ATOM 814 CB LYS A 61 13.568 6.927 -13.648 1.00 35.15 C ATOM 815 CG LYS A 61 13.507 7.563 -15.044 1.00 72.21 C ATOM 816 CD LYS A 61 12.337 7.087 -15.911 1.00 13.52 C ATOM 817 CE LYS A 61 10.972 7.427 -15.301 1.00 75.54 C ATOM 818 NZ LYS A 61 9.885 6.704 -15.992 1.00 15.45 N ATOM 0 H LYS A 61 14.641 5.497 -11.822 1.00 60.30 H new ATOM 0 HA LYS A 61 12.674 4.988 -13.982 1.00 22.02 H new ATOM 0 HB2 LYS A 61 12.697 7.256 -13.081 1.00 35.15 H new ATOM 0 HB3 LYS A 61 14.448 7.311 -13.132 1.00 35.15 H new ATOM 0 HG2 LYS A 61 13.443 8.645 -14.933 1.00 72.21 H new ATOM 0 HG3 LYS A 61 14.440 7.350 -15.567 1.00 72.21 H new ATOM 0 HD2 LYS A 61 12.413 7.543 -16.898 1.00 13.52 H new ATOM 0 HD3 LYS A 61 12.409 6.008 -16.051 1.00 13.52 H new ATOM 0 HE2 LYS A 61 10.969 7.168 -14.242 1.00 75.54 H new ATOM 0 HE3 LYS A 61 10.798 8.501 -15.367 1.00 75.54 H new ATOM 0 HZ1 LYS A 61 8.973 6.953 -15.559 1.00 15.45 H new ATOM 0 HZ2 LYS A 61 9.875 6.970 -16.997 1.00 15.45 H new ATOM 0 HZ3 LYS A 61 10.041 5.679 -15.907 1.00 15.45 H new ATOM 828 N GLN A 62 15.972 5.008 -14.160 1.00 21.23 N ATOM 829 CA GLN A 62 17.136 4.563 -14.925 1.00 4.51 C ATOM 830 C GLN A 62 17.208 3.032 -14.907 1.00 74.12 C ATOM 831 O GLN A 62 17.656 2.403 -15.860 1.00 3.42 O ATOM 832 CB GLN A 62 18.423 5.180 -14.345 1.00 23.04 C ATOM 833 CG GLN A 62 18.284 6.674 -13.992 1.00 61.04 C ATOM 834 CD GLN A 62 19.589 7.362 -13.586 1.00 22.02 C ATOM 835 OE1 GLN A 62 19.989 8.364 -14.181 1.00 34.41 O ATOM 836 NE2 GLN A 62 20.257 6.898 -12.543 1.00 52.21 N ATOM 0 H GLN A 62 16.225 5.476 -13.290 1.00 21.23 H new ATOM 0 HA GLN A 62 17.038 4.896 -15.958 1.00 4.51 H new ATOM 0 HB2 GLN A 62 18.709 4.628 -13.450 1.00 23.04 H new ATOM 0 HB3 GLN A 62 19.231 5.059 -15.066 1.00 23.04 H new ATOM 0 HG2 GLN A 62 17.865 7.198 -14.851 1.00 61.04 H new ATOM 0 HG3 GLN A 62 17.568 6.775 -13.177 1.00 61.04 H new ATOM 0 HE21 GLN A 62 19.924 6.068 -12.052 1.00 52.21 H new ATOM 0 HE22 GLN A 62 21.105 7.370 -12.230 1.00 52.21 H new ATOM 843 N THR A 63 16.719 2.435 -13.825 1.00 21.11 N ATOM 844 CA THR A 63 16.529 1.024 -13.578 1.00 41.33 C ATOM 845 C THR A 63 15.064 0.770 -13.227 1.00 23.43 C ATOM 846 O THR A 63 14.258 1.692 -13.118 1.00 1.22 O ATOM 847 CB THR A 63 17.627 0.514 -12.608 1.00 1.41 C ATOM 848 OG1 THR A 63 17.179 -0.400 -11.655 1.00 11.25 O ATOM 849 CG2 THR A 63 18.630 1.531 -12.045 1.00 61.12 C ATOM 0 H THR A 63 16.418 2.990 -13.024 1.00 21.11 H new ATOM 0 HA THR A 63 16.683 0.403 -14.460 1.00 41.33 H new ATOM 0 HB THR A 63 18.248 -0.041 -13.311 1.00 1.41 H new ATOM 0 HG1 THR A 63 17.176 0.024 -10.771 1.00 11.25 H new ATOM 0 HG21 THR A 63 19.332 1.022 -11.385 1.00 61.12 H new ATOM 0 HG22 THR A 63 19.176 1.996 -12.866 1.00 61.12 H new ATOM 0 HG23 THR A 63 18.095 2.297 -11.484 1.00 61.12 H new ATOM 857 N GLN A 64 14.692 -0.502 -13.115 1.00 24.11 N ATOM 858 CA GLN A 64 13.375 -0.965 -12.715 1.00 22.03 C ATOM 859 C GLN A 64 13.504 -1.819 -11.458 1.00 11.33 C ATOM 860 O GLN A 64 12.826 -2.834 -11.297 1.00 42.13 O ATOM 861 CB GLN A 64 12.728 -1.680 -13.906 1.00 42.33 C ATOM 862 CG GLN A 64 12.339 -0.680 -15.007 1.00 21.31 C ATOM 863 CD GLN A 64 11.205 0.245 -14.566 1.00 60.13 C ATOM 864 OE1 GLN A 64 10.034 -0.111 -14.650 1.00 73.44 O ATOM 865 NE2 GLN A 64 11.508 1.420 -14.039 1.00 4.43 N ATOM 0 H GLN A 64 15.334 -1.270 -13.311 1.00 24.11 H new ATOM 0 HA GLN A 64 12.712 -0.141 -12.449 1.00 22.03 H new ATOM 0 HB2 GLN A 64 13.420 -2.419 -14.310 1.00 42.33 H new ATOM 0 HB3 GLN A 64 11.842 -2.221 -13.572 1.00 42.33 H new ATOM 0 HG2 GLN A 64 13.209 -0.083 -15.278 1.00 21.31 H new ATOM 0 HG3 GLN A 64 12.035 -1.225 -15.901 1.00 21.31 H new ATOM 0 HE21 GLN A 64 12.483 1.712 -13.971 1.00 4.43 H new ATOM 0 HE22 GLN A 64 10.767 2.034 -13.701 1.00 4.43 H new ATOM 872 N LEU A 65 14.391 -1.392 -10.565 1.00 31.34 N ATOM 873 CA LEU A 65 14.488 -1.930 -9.211 1.00 35.34 C ATOM 874 C LEU A 65 13.766 -0.952 -8.295 1.00 22.42 C ATOM 875 O LEU A 65 13.455 0.171 -8.693 1.00 21.34 O ATOM 876 CB LEU A 65 15.942 -2.066 -8.742 1.00 72.30 C ATOM 877 CG LEU A 65 16.894 -2.769 -9.719 1.00 14.15 C ATOM 878 CD1 LEU A 65 18.324 -2.323 -9.399 1.00 32.13 C ATOM 879 CD2 LEU A 65 16.832 -4.285 -9.746 1.00 3.23 C ATOM 0 H LEU A 65 15.069 -0.656 -10.762 1.00 31.34 H new ATOM 0 HA LEU A 65 14.048 -2.927 -9.190 1.00 35.34 H new ATOM 0 HB2 LEU A 65 16.333 -1.069 -8.537 1.00 72.30 H new ATOM 0 HB3 LEU A 65 15.951 -2.612 -7.799 1.00 72.30 H new ATOM 0 HG LEU A 65 16.566 -2.469 -10.714 1.00 14.15 H new ATOM 0 HD11 LEU A 65 19.019 -2.811 -10.082 1.00 32.13 H new ATOM 0 HD12 LEU A 65 18.402 -1.242 -9.513 1.00 32.13 H new ATOM 0 HD13 LEU A 65 18.570 -2.598 -8.373 1.00 32.13 H new ATOM 0 HD21 LEU A 65 17.549 -4.666 -10.473 1.00 3.23 H new ATOM 0 HD22 LEU A 65 17.074 -4.677 -8.758 1.00 3.23 H new ATOM 0 HD23 LEU A 65 15.828 -4.603 -10.026 1.00 3.23 H new ATOM 890 N ASN A 66 13.543 -1.355 -7.053 1.00 62.23 N ATOM 891 CA ASN A 66 12.859 -0.508 -6.084 1.00 34.34 C ATOM 892 C ASN A 66 13.714 0.696 -5.692 1.00 1.50 C ATOM 893 O ASN A 66 14.946 0.645 -5.726 1.00 72.14 O ATOM 894 CB ASN A 66 12.505 -1.321 -4.840 1.00 71.31 C ATOM 895 CG ASN A 66 11.471 -2.388 -5.144 1.00 34.33 C ATOM 896 OD1 ASN A 66 10.313 -2.108 -5.423 1.00 32.34 O ATOM 897 ND2 ASN A 66 11.882 -3.637 -5.118 1.00 24.11 N ATOM 0 H ASN A 66 13.826 -2.265 -6.691 1.00 62.23 H new ATOM 0 HA ASN A 66 11.946 -0.136 -6.549 1.00 34.34 H new ATOM 0 HB2 ASN A 66 13.406 -1.789 -4.443 1.00 71.31 H new ATOM 0 HB3 ASN A 66 12.124 -0.655 -4.066 1.00 71.31 H new ATOM 0 HD21 ASN A 66 11.231 -4.393 -5.333 1.00 24.11 H new ATOM 0 HD22 ASN A 66 12.851 -3.850 -4.883 1.00 24.11 H new ATOM 903 N ARG A 67 13.066 1.757 -5.207 1.00 51.41 N ATOM 904 CA ARG A 67 13.672 2.883 -4.490 1.00 74.11 C ATOM 905 C ARG A 67 13.620 2.662 -2.972 1.00 2.43 C ATOM 906 O ARG A 67 13.766 3.611 -2.203 1.00 43.22 O ATOM 907 CB ARG A 67 12.997 4.202 -4.910 1.00 60.25 C ATOM 908 CG ARG A 67 13.447 4.644 -6.309 1.00 44.42 C ATOM 909 CD ARG A 67 12.955 6.071 -6.624 1.00 20.24 C ATOM 910 NE ARG A 67 13.903 6.816 -7.468 1.00 44.43 N ATOM 911 CZ ARG A 67 15.098 7.297 -7.096 1.00 53.43 C ATOM 912 NH1 ARG A 67 15.548 7.135 -5.851 1.00 32.10 N ATOM 913 NH2 ARG A 67 15.843 7.931 -7.984 1.00 32.20 N ATOM 0 H ARG A 67 12.056 1.860 -5.308 1.00 51.41 H new ATOM 0 HA ARG A 67 14.726 2.949 -4.760 1.00 74.11 H new ATOM 0 HB2 ARG A 67 11.914 4.078 -4.897 1.00 60.25 H new ATOM 0 HB3 ARG A 67 13.237 4.981 -4.186 1.00 60.25 H new ATOM 0 HG2 ARG A 67 14.535 4.608 -6.373 1.00 44.42 H new ATOM 0 HG3 ARG A 67 13.061 3.950 -7.055 1.00 44.42 H new ATOM 0 HD2 ARG A 67 11.989 6.017 -7.127 1.00 20.24 H new ATOM 0 HD3 ARG A 67 12.799 6.613 -5.691 1.00 20.24 H new ATOM 0 HE ARG A 67 13.622 6.983 -8.434 1.00 44.43 H new ATOM 0 HH11 ARG A 67 14.981 6.638 -5.164 1.00 32.10 H new ATOM 0 HH12 ARG A 67 16.460 7.508 -5.586 1.00 32.10 H new ATOM 0 HH21 ARG A 67 15.507 8.050 -8.940 1.00 32.20 H new ATOM 0 HH22 ARG A 67 16.754 8.302 -7.714 1.00 32.20 H new ATOM 924 N GLY A 68 13.396 1.426 -2.520 1.00 4.42 N ATOM 925 CA GLY A 68 13.511 1.052 -1.120 1.00 64.42 C ATOM 926 C GLY A 68 12.286 1.405 -0.286 1.00 73.31 C ATOM 927 O GLY A 68 12.359 1.320 0.939 1.00 32.10 O ATOM 0 H GLY A 68 13.127 0.652 -3.128 1.00 4.42 H new ATOM 0 HA2 GLY A 68 13.687 -0.022 -1.054 1.00 64.42 H new ATOM 0 HA3 GLY A 68 14.384 1.545 -0.693 1.00 64.42 H new ATOM 931 N PHE A 69 11.163 1.775 -0.907 1.00 64.41 N ATOM 932 CA PHE A 69 9.938 2.119 -0.198 1.00 34.03 C ATOM 933 C PHE A 69 8.710 1.604 -0.956 1.00 35.40 C ATOM 934 O PHE A 69 8.825 1.064 -2.064 1.00 40.51 O ATOM 935 CB PHE A 69 9.884 3.642 0.008 1.00 42.14 C ATOM 936 CG PHE A 69 9.274 4.441 -1.131 1.00 40.32 C ATOM 937 CD1 PHE A 69 9.904 4.519 -2.387 1.00 71.15 C ATOM 938 CD2 PHE A 69 8.063 5.124 -0.919 1.00 54.24 C ATOM 939 CE1 PHE A 69 9.340 5.304 -3.410 1.00 53.31 C ATOM 940 CE2 PHE A 69 7.504 5.916 -1.933 1.00 64.11 C ATOM 941 CZ PHE A 69 8.149 6.016 -3.177 1.00 42.32 C ATOM 0 H PHE A 69 11.083 1.843 -1.922 1.00 64.41 H new ATOM 0 HA PHE A 69 9.933 1.637 0.780 1.00 34.03 H new ATOM 0 HB2 PHE A 69 9.316 3.847 0.916 1.00 42.14 H new ATOM 0 HB3 PHE A 69 10.898 4.003 0.178 1.00 42.14 H new ATOM 0 HD1 PHE A 69 10.820 3.976 -2.566 1.00 71.15 H new ATOM 0 HD2 PHE A 69 7.559 5.038 0.032 1.00 54.24 H new ATOM 0 HE1 PHE A 69 9.822 5.360 -4.375 1.00 53.31 H new ATOM 0 HE2 PHE A 69 6.580 6.447 -1.758 1.00 64.11 H new ATOM 0 HZ PHE A 69 7.731 6.639 -3.954 1.00 42.32 H new ATOM 950 N ALA A 70 7.526 1.769 -0.376 1.00 31.40 N ATOM 951 CA ALA A 70 6.239 1.615 -1.043 1.00 11.51 C ATOM 952 C ALA A 70 5.217 2.487 -0.306 1.00 62.01 C ATOM 953 O ALA A 70 5.556 3.123 0.692 1.00 41.11 O ATOM 954 CB ALA A 70 5.827 0.132 -1.088 1.00 42.43 C ATOM 0 H ALA A 70 7.433 2.023 0.608 1.00 31.40 H new ATOM 0 HA ALA A 70 6.298 1.944 -2.080 1.00 11.51 H new ATOM 0 HB1 ALA A 70 4.864 0.037 -1.589 1.00 42.43 H new ATOM 0 HB2 ALA A 70 6.578 -0.438 -1.634 1.00 42.43 H new ATOM 0 HB3 ALA A 70 5.747 -0.254 -0.072 1.00 42.43 H new ATOM 960 N PHE A 71 3.982 2.502 -0.796 1.00 74.12 N ATOM 961 CA PHE A 71 2.861 3.333 -0.373 1.00 52.11 C ATOM 962 C PHE A 71 1.634 2.429 -0.208 1.00 31.34 C ATOM 963 O PHE A 71 1.478 1.502 -1.013 1.00 0.32 O ATOM 964 CB PHE A 71 2.596 4.338 -1.510 1.00 74.01 C ATOM 965 CG PHE A 71 3.200 5.715 -1.361 1.00 13.24 C ATOM 966 CD1 PHE A 71 3.070 6.416 -0.147 1.00 1.22 C ATOM 967 CD2 PHE A 71 3.742 6.364 -2.487 1.00 61.02 C ATOM 968 CE1 PHE A 71 3.469 7.755 -0.067 1.00 31.43 C ATOM 969 CE2 PHE A 71 4.149 7.706 -2.401 1.00 62.11 C ATOM 970 CZ PHE A 71 4.004 8.406 -1.192 1.00 12.10 C ATOM 0 H PHE A 71 3.718 1.882 -1.562 1.00 74.12 H new ATOM 0 HA PHE A 71 3.068 3.849 0.564 1.00 52.11 H new ATOM 0 HB2 PHE A 71 2.966 3.904 -2.439 1.00 74.01 H new ATOM 0 HB3 PHE A 71 1.517 4.451 -1.618 1.00 74.01 H new ATOM 0 HD1 PHE A 71 2.663 5.921 0.722 1.00 1.22 H new ATOM 0 HD2 PHE A 71 3.845 5.829 -3.419 1.00 61.02 H new ATOM 0 HE1 PHE A 71 3.365 8.291 0.865 1.00 31.43 H new ATOM 0 HE2 PHE A 71 4.573 8.199 -3.264 1.00 62.11 H new ATOM 0 HZ PHE A 71 4.303 9.442 -1.127 1.00 12.10 H new ATOM 979 N ILE A 72 0.716 2.707 0.728 1.00 20.02 N ATOM 980 CA ILE A 72 -0.555 1.983 0.855 1.00 52.30 C ATOM 981 C ILE A 72 -1.691 2.985 1.139 1.00 2.22 C ATOM 982 O ILE A 72 -1.572 3.832 2.031 1.00 34.12 O ATOM 983 CB ILE A 72 -0.504 0.864 1.930 1.00 1.11 C ATOM 984 CG1 ILE A 72 0.831 0.089 2.007 1.00 13.25 C ATOM 985 CG2 ILE A 72 -1.667 -0.123 1.678 1.00 0.53 C ATOM 986 CD1 ILE A 72 0.849 -0.964 3.126 1.00 52.10 C ATOM 0 H ILE A 72 0.836 3.445 1.422 1.00 20.02 H new ATOM 0 HA ILE A 72 -0.748 1.477 -0.091 1.00 52.30 H new ATOM 0 HB ILE A 72 -0.598 1.365 2.893 1.00 1.11 H new ATOM 0 HG12 ILE A 72 1.016 -0.401 1.051 1.00 13.25 H new ATOM 0 HG13 ILE A 72 1.646 0.795 2.166 1.00 13.25 H new ATOM 0 HG21 ILE A 72 -1.642 -0.914 2.427 1.00 0.53 H new ATOM 0 HG22 ILE A 72 -2.616 0.409 1.744 1.00 0.53 H new ATOM 0 HG23 ILE A 72 -1.564 -0.560 0.685 1.00 0.53 H new ATOM 0 HD11 ILE A 72 1.812 -1.475 3.130 1.00 52.10 H new ATOM 0 HD12 ILE A 72 0.694 -0.475 4.088 1.00 52.10 H new ATOM 0 HD13 ILE A 72 0.054 -1.690 2.955 1.00 52.10 H new ATOM 997 N GLN A 73 -2.781 2.875 0.370 1.00 42.13 N ATOM 998 CA GLN A 73 -4.016 3.654 0.474 1.00 53.50 C ATOM 999 C GLN A 73 -4.938 3.057 1.542 1.00 60.20 C ATOM 1000 O GLN A 73 -5.471 1.959 1.340 1.00 2.55 O ATOM 1001 CB GLN A 73 -4.739 3.649 -0.884 1.00 44.30 C ATOM 1002 CG GLN A 73 -3.962 4.457 -1.926 1.00 52.34 C ATOM 1003 CD GLN A 73 -4.606 4.416 -3.311 1.00 13.04 C ATOM 1004 OE1 GLN A 73 -5.019 3.369 -3.809 1.00 72.13 O ATOM 1005 NE2 GLN A 73 -4.653 5.535 -4.007 1.00 54.33 N ATOM 0 H GLN A 73 -2.824 2.195 -0.389 1.00 42.13 H new ATOM 0 HA GLN A 73 -3.764 4.676 0.757 1.00 53.50 H new ATOM 0 HB2 GLN A 73 -4.860 2.623 -1.231 1.00 44.30 H new ATOM 0 HB3 GLN A 73 -5.739 4.066 -0.768 1.00 44.30 H new ATOM 0 HG2 GLN A 73 -3.890 5.493 -1.595 1.00 52.34 H new ATOM 0 HG3 GLN A 73 -2.945 4.072 -1.992 1.00 52.34 H new ATOM 0 HE21 GLN A 73 -4.312 6.405 -3.598 1.00 54.33 H new ATOM 0 HE22 GLN A 73 -5.031 5.531 -4.955 1.00 54.33 H new ATOM 1012 N LEU A 74 -5.123 3.779 2.650 1.00 11.24 N ATOM 1013 CA LEU A 74 -5.970 3.457 3.807 1.00 4.12 C ATOM 1014 C LEU A 74 -6.803 4.698 4.144 1.00 41.00 C ATOM 1015 O LEU A 74 -6.408 5.810 3.794 1.00 75.14 O ATOM 1016 CB LEU A 74 -5.109 3.123 5.046 1.00 2.34 C ATOM 1017 CG LEU A 74 -4.619 1.673 5.265 1.00 4.23 C ATOM 1018 CD1 LEU A 74 -5.614 0.870 6.099 1.00 72.40 C ATOM 1019 CD2 LEU A 74 -4.275 0.892 3.997 1.00 42.33 C ATOM 0 H LEU A 74 -4.649 4.674 2.773 1.00 11.24 H new ATOM 0 HA LEU A 74 -6.593 2.598 3.559 1.00 4.12 H new ATOM 0 HB2 LEU A 74 -4.228 3.764 5.014 1.00 2.34 H new ATOM 0 HB3 LEU A 74 -5.681 3.411 5.928 1.00 2.34 H new ATOM 0 HG LEU A 74 -3.679 1.798 5.802 1.00 4.23 H new ATOM 0 HD11 LEU A 74 -5.240 -0.145 6.235 1.00 72.40 H new ATOM 0 HD12 LEU A 74 -5.739 1.344 7.073 1.00 72.40 H new ATOM 0 HD13 LEU A 74 -6.575 0.837 5.586 1.00 72.40 H new ATOM 0 HD21 LEU A 74 -3.943 -0.111 4.266 1.00 42.33 H new ATOM 0 HD22 LEU A 74 -5.158 0.824 3.361 1.00 42.33 H new ATOM 0 HD23 LEU A 74 -3.479 1.405 3.458 1.00 42.33 H new ATOM 1030 N SER A 75 -7.906 4.515 4.869 1.00 15.02 N ATOM 1031 CA SER A 75 -8.747 5.589 5.390 1.00 72.41 C ATOM 1032 C SER A 75 -8.128 6.274 6.618 1.00 74.12 C ATOM 1033 O SER A 75 -7.189 5.757 7.215 1.00 62.30 O ATOM 1034 CB SER A 75 -10.138 5.036 5.732 1.00 31.54 C ATOM 1035 OG SER A 75 -10.170 3.636 5.911 1.00 15.03 O ATOM 0 H SER A 75 -8.248 3.587 5.117 1.00 15.02 H new ATOM 0 HA SER A 75 -8.832 6.348 4.613 1.00 72.41 H new ATOM 0 HB2 SER A 75 -10.495 5.517 6.643 1.00 31.54 H new ATOM 0 HB3 SER A 75 -10.831 5.306 4.936 1.00 31.54 H new ATOM 0 HG SER A 75 -11.083 3.355 6.127 1.00 15.03 H new ATOM 1040 N THR A 76 -8.715 7.388 7.070 1.00 44.11 N ATOM 1041 CA THR A 76 -8.184 8.279 8.105 1.00 42.14 C ATOM 1042 C THR A 76 -7.715 7.550 9.374 1.00 33.21 C ATOM 1043 O THR A 76 -6.544 7.650 9.744 1.00 42.23 O ATOM 1044 CB THR A 76 -9.218 9.376 8.447 1.00 33.32 C ATOM 1045 OG1 THR A 76 -10.203 9.532 7.441 1.00 22.53 O ATOM 1046 CG2 THR A 76 -8.554 10.733 8.675 1.00 51.33 C ATOM 0 H THR A 76 -9.614 7.706 6.707 1.00 44.11 H new ATOM 0 HA THR A 76 -7.289 8.738 7.685 1.00 42.14 H new ATOM 0 HB THR A 76 -9.697 9.037 9.365 1.00 33.32 H new ATOM 0 HG1 THR A 76 -9.767 9.655 6.572 1.00 22.53 H new ATOM 0 HG21 THR A 76 -9.316 11.475 8.913 1.00 51.33 H new ATOM 0 HG22 THR A 76 -7.849 10.659 9.503 1.00 51.33 H new ATOM 0 HG23 THR A 76 -8.023 11.034 7.772 1.00 51.33 H new ATOM 1054 N ILE A 77 -8.624 6.847 10.065 1.00 12.11 N ATOM 1055 CA ILE A 77 -8.298 6.149 11.310 1.00 12.24 C ATOM 1056 C ILE A 77 -7.441 4.932 10.995 1.00 4.40 C ATOM 1057 O ILE A 77 -6.594 4.556 11.795 1.00 2.21 O ATOM 1058 CB ILE A 77 -9.585 5.750 12.079 1.00 40.13 C ATOM 1059 CG1 ILE A 77 -10.303 7.046 12.519 1.00 1.43 C ATOM 1060 CG2 ILE A 77 -9.291 4.814 13.274 1.00 75.43 C ATOM 1061 CD1 ILE A 77 -11.548 6.831 13.386 1.00 62.41 C ATOM 0 H ILE A 77 -9.597 6.749 9.777 1.00 12.11 H new ATOM 0 HA ILE A 77 -7.734 6.819 11.959 1.00 12.24 H new ATOM 0 HB ILE A 77 -10.236 5.175 11.420 1.00 40.13 H new ATOM 0 HG12 ILE A 77 -9.597 7.666 13.071 1.00 1.43 H new ATOM 0 HG13 ILE A 77 -10.590 7.605 11.629 1.00 1.43 H new ATOM 0 HG21 ILE A 77 -10.224 4.564 13.779 1.00 75.43 H new ATOM 0 HG22 ILE A 77 -8.818 3.901 12.913 1.00 75.43 H new ATOM 0 HG23 ILE A 77 -8.623 5.316 13.974 1.00 75.43 H new ATOM 0 HD11 ILE A 77 -11.982 7.797 13.645 1.00 62.41 H new ATOM 0 HD12 ILE A 77 -12.279 6.241 12.833 1.00 62.41 H new ATOM 0 HD13 ILE A 77 -11.270 6.303 14.298 1.00 62.41 H new ATOM 1072 N GLU A 78 -7.655 4.296 9.850 1.00 24.04 N ATOM 1073 CA GLU A 78 -7.047 3.003 9.554 1.00 42.34 C ATOM 1074 C GLU A 78 -5.564 3.201 9.253 1.00 54.12 C ATOM 1075 O GLU A 78 -4.706 2.485 9.761 1.00 2.22 O ATOM 1076 CB GLU A 78 -7.827 2.282 8.443 1.00 53.41 C ATOM 1077 CG GLU A 78 -9.323 2.312 8.793 1.00 64.30 C ATOM 1078 CD GLU A 78 -10.106 1.057 8.412 1.00 0.24 C ATOM 1079 OE1 GLU A 78 -9.957 0.490 7.313 1.00 72.43 O ATOM 1080 OE2 GLU A 78 -10.970 0.686 9.255 1.00 64.24 O ATOM 0 H GLU A 78 -8.250 4.658 9.105 1.00 24.04 H new ATOM 0 HA GLU A 78 -7.104 2.343 10.420 1.00 42.34 H new ATOM 0 HB2 GLU A 78 -7.654 2.768 7.483 1.00 53.41 H new ATOM 0 HB3 GLU A 78 -7.482 1.253 8.346 1.00 53.41 H new ATOM 0 HG2 GLU A 78 -9.425 2.473 9.866 1.00 64.30 H new ATOM 0 HG3 GLU A 78 -9.778 3.169 8.297 1.00 64.30 H new ATOM 1085 N ALA A 79 -5.263 4.287 8.551 1.00 2.31 N ATOM 1086 CA ALA A 79 -3.929 4.793 8.306 1.00 61.05 C ATOM 1087 C ALA A 79 -3.314 5.328 9.603 1.00 73.41 C ATOM 1088 O ALA A 79 -2.151 5.724 9.596 1.00 4.24 O ATOM 1089 CB ALA A 79 -3.977 5.924 7.271 1.00 44.12 C ATOM 0 H ALA A 79 -5.984 4.864 8.118 1.00 2.31 H new ATOM 0 HA ALA A 79 -3.317 3.975 7.927 1.00 61.05 H new ATOM 0 HB1 ALA A 79 -2.969 6.298 7.094 1.00 44.12 H new ATOM 0 HB2 ALA A 79 -4.393 5.545 6.337 1.00 44.12 H new ATOM 0 HB3 ALA A 79 -4.603 6.734 7.645 1.00 44.12 H new ATOM 1095 N ALA A 80 -4.060 5.352 10.712 1.00 13.21 N ATOM 1096 CA ALA A 80 -3.617 5.786 12.022 1.00 21.42 C ATOM 1097 C ALA A 80 -3.933 4.758 13.120 1.00 60.35 C ATOM 1098 O ALA A 80 -4.135 5.135 14.280 1.00 34.11 O ATOM 1099 CB ALA A 80 -4.226 7.151 12.340 1.00 35.13 C ATOM 0 H ALA A 80 -5.035 5.053 10.710 1.00 13.21 H new ATOM 0 HA ALA A 80 -2.531 5.876 12.000 1.00 21.42 H new ATOM 0 HB1 ALA A 80 -3.893 7.477 13.325 1.00 35.13 H new ATOM 0 HB2 ALA A 80 -3.907 7.875 11.591 1.00 35.13 H new ATOM 0 HB3 ALA A 80 -5.313 7.075 12.331 1.00 35.13 H new ATOM 1105 N GLN A 81 -4.026 3.474 12.776 1.00 63.23 N ATOM 1106 CA GLN A 81 -4.113 2.386 13.720 1.00 63.24 C ATOM 1107 C GLN A 81 -3.317 1.175 13.241 1.00 11.53 C ATOM 1108 O GLN A 81 -2.663 0.523 14.055 1.00 0.54 O ATOM 1109 CB GLN A 81 -5.588 2.062 13.963 1.00 31.01 C ATOM 1110 CG GLN A 81 -6.374 1.409 12.811 1.00 2.31 C ATOM 1111 CD GLN A 81 -6.638 -0.065 13.075 1.00 73.11 C ATOM 1112 OE1 GLN A 81 -5.742 -0.785 13.497 1.00 3.54 O ATOM 1113 NE2 GLN A 81 -7.865 -0.531 12.918 1.00 63.43 N ATOM 0 H GLN A 81 -4.042 3.165 11.804 1.00 63.23 H new ATOM 0 HA GLN A 81 -3.664 2.681 14.669 1.00 63.24 H new ATOM 0 HB2 GLN A 81 -5.649 1.401 14.828 1.00 31.01 H new ATOM 0 HB3 GLN A 81 -6.095 2.988 14.233 1.00 31.01 H new ATOM 0 HG2 GLN A 81 -7.322 1.930 12.676 1.00 2.31 H new ATOM 0 HG3 GLN A 81 -5.815 1.518 11.882 1.00 2.31 H new ATOM 0 HE21 GLN A 81 -8.601 0.080 12.565 1.00 63.43 H new ATOM 0 HE22 GLN A 81 -8.075 -1.502 13.149 1.00 63.43 H new ATOM 1120 N LEU A 82 -3.315 0.905 11.929 1.00 0.24 N ATOM 1121 CA LEU A 82 -2.644 -0.264 11.365 1.00 63.32 C ATOM 1122 C LEU A 82 -1.162 -0.264 11.735 1.00 75.15 C ATOM 1123 O LEU A 82 -0.607 -1.325 11.984 1.00 23.31 O ATOM 1124 CB LEU A 82 -2.820 -0.342 9.833 1.00 13.10 C ATOM 1125 CG LEU A 82 -3.976 -1.228 9.322 1.00 61.13 C ATOM 1126 CD1 LEU A 82 -3.774 -2.703 9.681 1.00 21.25 C ATOM 1127 CD2 LEU A 82 -5.362 -0.811 9.805 1.00 32.03 C ATOM 0 H LEU A 82 -3.778 1.491 11.234 1.00 0.24 H new ATOM 0 HA LEU A 82 -3.113 -1.149 11.795 1.00 63.32 H new ATOM 0 HB2 LEU A 82 -2.970 0.669 9.454 1.00 13.10 H new ATOM 0 HB3 LEU A 82 -1.890 -0.710 9.400 1.00 13.10 H new ATOM 0 HG LEU A 82 -3.942 -1.086 8.242 1.00 61.13 H new ATOM 0 HD11 LEU A 82 -4.612 -3.288 9.301 1.00 21.25 H new ATOM 0 HD12 LEU A 82 -2.848 -3.063 9.233 1.00 21.25 H new ATOM 0 HD13 LEU A 82 -3.719 -2.810 10.764 1.00 21.25 H new ATOM 0 HD21 LEU A 82 -6.110 -1.490 9.396 1.00 32.03 H new ATOM 0 HD22 LEU A 82 -5.395 -0.849 10.894 1.00 32.03 H new ATOM 0 HD23 LEU A 82 -5.573 0.205 9.471 1.00 32.03 H new ATOM 1138 N LEU A 83 -0.529 0.904 11.866 1.00 1.14 N ATOM 1139 CA LEU A 83 0.859 1.046 12.304 1.00 33.12 C ATOM 1140 C LEU A 83 1.161 0.286 13.604 1.00 12.44 C ATOM 1141 O LEU A 83 2.309 -0.063 13.858 1.00 53.52 O ATOM 1142 CB LEU A 83 1.124 2.543 12.514 1.00 32.03 C ATOM 1143 CG LEU A 83 2.578 2.913 12.827 1.00 43.34 C ATOM 1144 CD1 LEU A 83 3.472 2.753 11.603 1.00 42.54 C ATOM 1145 CD2 LEU A 83 2.621 4.359 13.323 1.00 14.12 C ATOM 0 H LEU A 83 -0.979 1.797 11.666 1.00 1.14 H new ATOM 0 HA LEU A 83 1.507 0.617 11.540 1.00 33.12 H new ATOM 0 HB2 LEU A 83 0.815 3.079 11.617 1.00 32.03 H new ATOM 0 HB3 LEU A 83 0.493 2.896 13.330 1.00 32.03 H new ATOM 0 HG LEU A 83 2.954 2.238 13.596 1.00 43.34 H new ATOM 0 HD11 LEU A 83 4.495 3.024 11.862 1.00 42.54 H new ATOM 0 HD12 LEU A 83 3.445 1.717 11.266 1.00 42.54 H new ATOM 0 HD13 LEU A 83 3.115 3.404 10.804 1.00 42.54 H new ATOM 0 HD21 LEU A 83 3.651 4.635 13.550 1.00 14.12 H new ATOM 0 HD22 LEU A 83 2.229 5.021 12.550 1.00 14.12 H new ATOM 0 HD23 LEU A 83 2.014 4.453 14.223 1.00 14.12 H new ATOM 1156 N GLN A 84 0.166 0.073 14.466 1.00 14.30 N ATOM 1157 CA GLN A 84 0.314 -0.660 15.722 1.00 11.23 C ATOM 1158 C GLN A 84 0.309 -2.175 15.469 1.00 54.21 C ATOM 1159 O GLN A 84 1.149 -2.906 15.994 1.00 3.50 O ATOM 1160 CB GLN A 84 -0.808 -0.203 16.680 1.00 1.54 C ATOM 1161 CG GLN A 84 -0.281 0.120 18.085 1.00 12.14 C ATOM 1162 CD GLN A 84 -1.182 1.132 18.788 1.00 55.15 C ATOM 1163 OE1 GLN A 84 -2.322 0.831 19.127 1.00 64.45 O ATOM 1164 NE2 GLN A 84 -0.736 2.364 18.974 1.00 31.11 N ATOM 0 H GLN A 84 -0.783 0.412 14.307 1.00 14.30 H new ATOM 0 HA GLN A 84 1.275 -0.442 16.189 1.00 11.23 H new ATOM 0 HB2 GLN A 84 -1.298 0.679 16.267 1.00 1.54 H new ATOM 0 HB3 GLN A 84 -1.564 -0.985 16.749 1.00 1.54 H new ATOM 0 HG2 GLN A 84 -0.225 -0.794 18.676 1.00 12.14 H new ATOM 0 HG3 GLN A 84 0.732 0.516 18.015 1.00 12.14 H new ATOM 0 HE21 GLN A 84 0.212 2.611 18.691 1.00 31.11 H new ATOM 0 HE22 GLN A 84 -1.341 3.066 19.400 1.00 31.11 H new ATOM 1171 N ILE A 85 -0.605 -2.639 14.617 1.00 63.45 N ATOM 1172 CA ILE A 85 -0.746 -4.032 14.197 1.00 12.34 C ATOM 1173 C ILE A 85 0.508 -4.474 13.429 1.00 40.25 C ATOM 1174 O ILE A 85 1.017 -5.582 13.624 1.00 11.24 O ATOM 1175 CB ILE A 85 -2.060 -4.144 13.383 1.00 74.25 C ATOM 1176 CG1 ILE A 85 -3.261 -3.976 14.347 1.00 21.02 C ATOM 1177 CG2 ILE A 85 -2.178 -5.451 12.583 1.00 25.03 C ATOM 1178 CD1 ILE A 85 -4.605 -3.770 13.643 1.00 60.41 C ATOM 0 H ILE A 85 -1.297 -2.028 14.183 1.00 63.45 H new ATOM 0 HA ILE A 85 -0.821 -4.713 15.045 1.00 12.34 H new ATOM 0 HB ILE A 85 -2.055 -3.348 12.638 1.00 74.25 H new ATOM 0 HG12 ILE A 85 -3.328 -4.858 14.983 1.00 21.02 H new ATOM 0 HG13 ILE A 85 -3.072 -3.125 15.001 1.00 21.02 H new ATOM 0 HG21 ILE A 85 -3.122 -5.460 12.038 1.00 25.03 H new ATOM 0 HG22 ILE A 85 -1.351 -5.521 11.877 1.00 25.03 H new ATOM 0 HG23 ILE A 85 -2.145 -6.300 13.266 1.00 25.03 H new ATOM 0 HD11 ILE A 85 -5.393 -3.661 14.388 1.00 60.41 H new ATOM 0 HD12 ILE A 85 -4.560 -2.871 13.028 1.00 60.41 H new ATOM 0 HD13 ILE A 85 -4.820 -4.631 13.011 1.00 60.41 H new ATOM 1189 N LEU A 86 1.036 -3.598 12.578 1.00 60.05 N ATOM 1190 CA LEU A 86 2.191 -3.824 11.711 1.00 13.21 C ATOM 1191 C LEU A 86 3.499 -4.014 12.490 1.00 52.24 C ATOM 1192 O LEU A 86 4.521 -4.276 11.854 1.00 74.24 O ATOM 1193 CB LEU A 86 2.288 -2.658 10.709 1.00 42.35 C ATOM 1194 CG LEU A 86 1.431 -2.741 9.428 1.00 60.12 C ATOM 1195 CD1 LEU A 86 0.073 -3.439 9.551 1.00 14.42 C ATOM 1196 CD2 LEU A 86 1.212 -1.323 8.880 1.00 42.34 C ATOM 0 H LEU A 86 0.649 -2.661 12.468 1.00 60.05 H new ATOM 0 HA LEU A 86 2.042 -4.761 11.175 1.00 13.21 H new ATOM 0 HB2 LEU A 86 2.019 -1.741 11.234 1.00 42.35 H new ATOM 0 HB3 LEU A 86 3.331 -2.559 10.409 1.00 42.35 H new ATOM 0 HG LEU A 86 2.008 -3.375 8.755 1.00 60.12 H new ATOM 0 HD11 LEU A 86 -0.429 -3.431 8.584 1.00 14.42 H new ATOM 0 HD12 LEU A 86 0.221 -4.469 9.874 1.00 14.42 H new ATOM 0 HD13 LEU A 86 -0.541 -2.914 10.283 1.00 14.42 H new ATOM 0 HD21 LEU A 86 0.607 -1.372 7.975 1.00 42.34 H new ATOM 0 HD22 LEU A 86 0.697 -0.719 9.628 1.00 42.34 H new ATOM 0 HD23 LEU A 86 2.176 -0.870 8.648 1.00 42.34 H new ATOM 1207 N GLN A 87 3.500 -3.891 13.822 1.00 73.31 N ATOM 1208 CA GLN A 87 4.675 -4.082 14.667 1.00 0.14 C ATOM 1209 C GLN A 87 4.881 -5.544 15.113 1.00 64.14 C ATOM 1210 O GLN A 87 5.935 -5.831 15.690 1.00 4.23 O ATOM 1211 CB GLN A 87 4.591 -3.143 15.882 1.00 44.45 C ATOM 1212 CG GLN A 87 4.724 -1.647 15.526 1.00 43.15 C ATOM 1213 CD GLN A 87 6.153 -1.180 15.238 1.00 34.24 C ATOM 1214 OE1 GLN A 87 7.117 -1.940 15.345 1.00 75.31 O ATOM 1215 NE2 GLN A 87 6.340 0.071 14.840 1.00 24.42 N ATOM 0 H GLN A 87 2.662 -3.650 14.351 1.00 73.31 H new ATOM 0 HA GLN A 87 5.549 -3.833 14.065 1.00 0.14 H new ATOM 0 HB2 GLN A 87 3.639 -3.303 16.387 1.00 44.45 H new ATOM 0 HB3 GLN A 87 5.376 -3.409 16.590 1.00 44.45 H new ATOM 0 HG2 GLN A 87 4.106 -1.440 14.652 1.00 43.15 H new ATOM 0 HG3 GLN A 87 4.322 -1.055 16.348 1.00 43.15 H new ATOM 0 HE21 GLN A 87 5.544 0.702 14.751 1.00 24.42 H new ATOM 0 HE22 GLN A 87 7.280 0.402 14.623 1.00 24.42 H new ATOM 1222 N ALA A 88 3.934 -6.460 14.863 1.00 2.21 N ATOM 1223 CA ALA A 88 3.935 -7.813 15.443 1.00 71.44 C ATOM 1224 C ALA A 88 3.933 -8.966 14.419 1.00 65.42 C ATOM 1225 O ALA A 88 3.810 -10.129 14.812 1.00 50.12 O ATOM 1226 CB ALA A 88 2.735 -7.935 16.391 1.00 51.42 C ATOM 0 H ALA A 88 3.140 -6.282 14.248 1.00 2.21 H new ATOM 0 HA ALA A 88 4.881 -7.924 15.974 1.00 71.44 H new ATOM 0 HB1 ALA A 88 2.719 -8.932 16.831 1.00 51.42 H new ATOM 0 HB2 ALA A 88 2.819 -7.190 17.183 1.00 51.42 H new ATOM 0 HB3 ALA A 88 1.813 -7.769 15.834 1.00 51.42 H new ATOM 1232 N LEU A 89 4.050 -8.692 13.116 1.00 13.51 N ATOM 1233 CA LEU A 89 3.847 -9.669 12.043 1.00 24.11 C ATOM 1234 C LEU A 89 5.141 -9.912 11.272 1.00 4.42 C ATOM 1235 O LEU A 89 6.066 -9.097 11.355 1.00 4.42 O ATOM 1236 CB LEU A 89 2.680 -9.207 11.154 1.00 1.13 C ATOM 1237 CG LEU A 89 2.935 -7.920 10.337 1.00 13.13 C ATOM 1238 CD1 LEU A 89 3.676 -8.167 9.022 1.00 74.33 C ATOM 1239 CD2 LEU A 89 1.596 -7.251 10.000 1.00 23.14 C ATOM 0 H LEU A 89 4.294 -7.764 12.771 1.00 13.51 H new ATOM 0 HA LEU A 89 3.574 -10.637 12.464 1.00 24.11 H new ATOM 0 HB2 LEU A 89 2.432 -10.012 10.463 1.00 1.13 H new ATOM 0 HB3 LEU A 89 1.806 -9.048 11.785 1.00 1.13 H new ATOM 0 HG LEU A 89 3.563 -7.286 10.963 1.00 13.13 H new ATOM 0 HD11 LEU A 89 3.820 -7.220 8.502 1.00 74.33 H new ATOM 0 HD12 LEU A 89 4.646 -8.618 9.230 1.00 74.33 H new ATOM 0 HD13 LEU A 89 3.090 -8.840 8.395 1.00 74.33 H new ATOM 0 HD21 LEU A 89 1.777 -6.344 9.424 1.00 23.14 H new ATOM 0 HD22 LEU A 89 0.984 -7.937 9.414 1.00 23.14 H new ATOM 0 HD23 LEU A 89 1.074 -6.997 10.922 1.00 23.14 H new ATOM 1250 N HIS A 90 5.224 -11.013 10.523 1.00 72.42 N ATOM 1251 CA HIS A 90 6.416 -11.376 9.753 1.00 41.55 C ATOM 1252 C HIS A 90 6.165 -12.549 8.775 1.00 51.42 C ATOM 1253 O HIS A 90 6.452 -13.700 9.121 1.00 73.33 O ATOM 1254 CB HIS A 90 7.584 -11.679 10.717 1.00 21.03 C ATOM 1255 CG HIS A 90 7.292 -12.580 11.894 1.00 41.42 C ATOM 1256 ND1 HIS A 90 7.078 -13.937 11.840 1.00 53.12 N ATOM 1257 CD2 HIS A 90 7.358 -12.223 13.212 1.00 10.23 C ATOM 1258 CE1 HIS A 90 7.046 -14.400 13.096 1.00 3.32 C ATOM 1259 NE2 HIS A 90 7.223 -13.391 13.969 1.00 30.13 N ATOM 0 H HIS A 90 4.460 -11.683 10.433 1.00 72.42 H new ATOM 0 HA HIS A 90 6.681 -10.523 9.128 1.00 41.55 H new ATOM 0 HB2 HIS A 90 8.391 -12.129 10.139 1.00 21.03 H new ATOM 0 HB3 HIS A 90 7.959 -10.731 11.102 1.00 21.03 H new ATOM 0 HD1 HIS A 90 6.964 -14.493 10.993 1.00 53.12 H new ATOM 0 HD2 HIS A 90 7.490 -11.223 13.598 1.00 10.23 H new ATOM 0 HE1 HIS A 90 6.899 -15.434 13.369 1.00 3.32 H new ATOM 1266 N PRO A 91 5.654 -12.317 7.553 1.00 43.50 N ATOM 1267 CA PRO A 91 5.319 -13.403 6.636 1.00 22.21 C ATOM 1268 C PRO A 91 6.581 -14.012 5.992 1.00 61.30 C ATOM 1269 O PRO A 91 7.608 -13.337 5.899 1.00 5.25 O ATOM 1270 CB PRO A 91 4.426 -12.754 5.578 1.00 22.01 C ATOM 1271 CG PRO A 91 5.021 -11.354 5.473 1.00 73.11 C ATOM 1272 CD PRO A 91 5.415 -11.032 6.917 1.00 70.13 C ATOM 0 HA PRO A 91 4.825 -14.228 7.150 1.00 22.21 H new ATOM 0 HB2 PRO A 91 4.467 -13.287 4.628 1.00 22.01 H new ATOM 0 HB3 PRO A 91 3.381 -12.731 5.886 1.00 22.01 H new ATOM 0 HG2 PRO A 91 5.883 -11.332 4.806 1.00 73.11 H new ATOM 0 HG3 PRO A 91 4.298 -10.637 5.084 1.00 73.11 H new ATOM 0 HD2 PRO A 91 6.307 -10.407 6.950 1.00 70.13 H new ATOM 0 HD3 PRO A 91 4.623 -10.484 7.427 1.00 70.13 H new ATOM 1277 N PRO A 92 6.497 -15.241 5.445 1.00 51.11 N ATOM 1278 CA PRO A 92 7.608 -15.969 4.827 1.00 14.33 C ATOM 1279 C PRO A 92 8.200 -15.369 3.544 1.00 33.33 C ATOM 1280 O PRO A 92 9.010 -16.030 2.898 1.00 72.20 O ATOM 1281 CB PRO A 92 7.107 -17.408 4.636 1.00 21.04 C ATOM 1282 CG PRO A 92 5.592 -17.267 4.571 1.00 50.54 C ATOM 1283 CD PRO A 92 5.322 -16.101 5.516 1.00 4.24 C ATOM 0 HA PRO A 92 8.470 -15.908 5.491 1.00 14.33 H new ATOM 0 HB2 PRO A 92 7.506 -17.851 3.724 1.00 21.04 H new ATOM 0 HB3 PRO A 92 7.413 -18.050 5.462 1.00 21.04 H new ATOM 0 HG2 PRO A 92 5.248 -17.055 3.559 1.00 50.54 H new ATOM 0 HG3 PRO A 92 5.087 -18.177 4.896 1.00 50.54 H new ATOM 0 HD2 PRO A 92 4.424 -15.559 5.219 1.00 4.24 H new ATOM 0 HD3 PRO A 92 5.159 -16.454 6.534 1.00 4.24 H new ATOM 1288 N LEU A 93 7.795 -14.176 3.100 1.00 22.42 N ATOM 1289 CA LEU A 93 8.344 -13.547 1.901 1.00 4.42 C ATOM 1290 C LEU A 93 9.698 -12.873 2.199 1.00 63.00 C ATOM 1291 O LEU A 93 9.843 -11.657 2.019 1.00 23.44 O ATOM 1292 CB LEU A 93 7.280 -12.596 1.305 1.00 53.43 C ATOM 1293 CG LEU A 93 7.214 -12.596 -0.231 1.00 62.14 C ATOM 1294 CD1 LEU A 93 8.515 -12.146 -0.906 1.00 42.12 C ATOM 1295 CD2 LEU A 93 6.775 -13.966 -0.759 1.00 65.44 C ATOM 0 H LEU A 93 7.076 -13.620 3.564 1.00 22.42 H new ATOM 0 HA LEU A 93 8.568 -14.297 1.142 1.00 4.42 H new ATOM 0 HB2 LEU A 93 6.302 -12.873 1.698 1.00 53.43 H new ATOM 0 HB3 LEU A 93 7.485 -11.582 1.647 1.00 53.43 H new ATOM 0 HG LEU A 93 6.464 -11.851 -0.497 1.00 62.14 H new ATOM 0 HD11 LEU A 93 8.391 -12.172 -1.989 1.00 42.12 H new ATOM 0 HD12 LEU A 93 8.755 -11.130 -0.593 1.00 42.12 H new ATOM 0 HD13 LEU A 93 9.325 -12.816 -0.617 1.00 42.12 H new ATOM 0 HD21 LEU A 93 6.736 -13.941 -1.848 1.00 65.44 H new ATOM 0 HD22 LEU A 93 7.489 -14.725 -0.439 1.00 65.44 H new ATOM 0 HD23 LEU A 93 5.788 -14.208 -0.366 1.00 65.44 H new ATOM 1306 N THR A 94 10.689 -13.618 2.696 1.00 41.40 N ATOM 1307 CA THR A 94 11.999 -13.077 3.067 1.00 1.32 C ATOM 1308 C THR A 94 12.898 -13.019 1.823 1.00 52.32 C ATOM 1309 O THR A 94 13.785 -13.846 1.602 1.00 63.02 O ATOM 1310 CB THR A 94 12.654 -13.894 4.190 1.00 72.22 C ATOM 1311 OG1 THR A 94 11.714 -14.546 5.027 1.00 25.35 O ATOM 1312 CG2 THR A 94 13.590 -13.021 5.011 1.00 74.35 C ATOM 0 H THR A 94 10.604 -14.622 2.853 1.00 41.40 H new ATOM 0 HA THR A 94 11.861 -12.068 3.455 1.00 1.32 H new ATOM 0 HB THR A 94 13.231 -14.681 3.704 1.00 72.22 H new ATOM 0 HG1 THR A 94 12.188 -15.051 5.720 1.00 25.35 H new ATOM 0 HG21 THR A 94 14.044 -13.618 5.802 1.00 74.35 H new ATOM 0 HG22 THR A 94 14.371 -12.618 4.366 1.00 74.35 H new ATOM 0 HG23 THR A 94 13.026 -12.200 5.455 1.00 74.35 H new ATOM 1320 N ILE A 95 12.655 -12.028 0.976 1.00 70.33 N ATOM 1321 CA ILE A 95 13.414 -11.877 -0.259 1.00 11.31 C ATOM 1322 C ILE A 95 14.822 -11.445 0.195 1.00 54.50 C ATOM 1323 O ILE A 95 14.933 -10.645 1.130 1.00 52.22 O ATOM 1324 CB ILE A 95 12.679 -10.918 -1.244 1.00 62.30 C ATOM 1325 CG1 ILE A 95 13.011 -11.171 -2.729 1.00 52.23 C ATOM 1326 CG2 ILE A 95 12.855 -9.445 -0.881 1.00 10.12 C ATOM 1327 CD1 ILE A 95 14.393 -10.752 -3.222 1.00 52.13 C ATOM 0 H ILE A 95 11.939 -11.317 1.121 1.00 70.33 H new ATOM 0 HA ILE A 95 13.505 -12.790 -0.847 1.00 11.31 H new ATOM 0 HB ILE A 95 11.624 -11.162 -1.121 1.00 62.30 H new ATOM 0 HG12 ILE A 95 12.893 -12.237 -2.923 1.00 52.23 H new ATOM 0 HG13 ILE A 95 12.267 -10.653 -3.333 1.00 52.23 H new ATOM 0 HG21 ILE A 95 12.321 -8.826 -1.602 1.00 10.12 H new ATOM 0 HG22 ILE A 95 12.455 -9.266 0.117 1.00 10.12 H new ATOM 0 HG23 ILE A 95 13.915 -9.190 -0.898 1.00 10.12 H new ATOM 0 HD11 ILE A 95 14.488 -10.989 -4.282 1.00 52.13 H new ATOM 0 HD12 ILE A 95 14.521 -9.679 -3.077 1.00 52.13 H new ATOM 0 HD13 ILE A 95 15.158 -11.288 -2.660 1.00 52.13 H new ATOM 1338 N ASP A 96 15.881 -12.004 -0.391 1.00 12.15 N ATOM 1339 CA ASP A 96 17.316 -11.797 -0.118 1.00 45.35 C ATOM 1340 C ASP A 96 17.760 -12.254 1.276 1.00 31.01 C ATOM 1341 O ASP A 96 18.942 -12.513 1.502 1.00 63.31 O ATOM 1342 CB ASP A 96 17.754 -10.337 -0.381 1.00 74.01 C ATOM 1343 CG ASP A 96 18.151 -10.099 -1.836 1.00 5.10 C ATOM 1344 OD1 ASP A 96 19.215 -10.609 -2.251 1.00 4.33 O ATOM 1345 OD2 ASP A 96 17.408 -9.399 -2.556 1.00 61.41 O ATOM 0 H ASP A 96 15.750 -12.680 -1.143 1.00 12.15 H new ATOM 0 HA ASP A 96 17.829 -12.445 -0.829 1.00 45.35 H new ATOM 0 HB2 ASP A 96 16.940 -9.663 -0.115 1.00 74.01 H new ATOM 0 HB3 ASP A 96 18.595 -10.091 0.267 1.00 74.01 H new ATOM 1349 N GLY A 97 16.827 -12.395 2.216 1.00 24.33 N ATOM 1350 CA GLY A 97 17.118 -12.376 3.635 1.00 31.21 C ATOM 1351 C GLY A 97 17.115 -10.932 4.138 1.00 22.22 C ATOM 1352 O GLY A 97 18.072 -10.534 4.804 1.00 73.32 O ATOM 0 H GLY A 97 15.838 -12.527 2.004 1.00 24.33 H new ATOM 0 HA2 GLY A 97 16.376 -12.962 4.177 1.00 31.21 H new ATOM 0 HA3 GLY A 97 18.088 -12.836 3.824 1.00 31.21 H new ATOM 1356 N LYS A 98 16.083 -10.139 3.813 1.00 2.44 N ATOM 1357 CA LYS A 98 15.711 -8.934 4.563 1.00 54.13 C ATOM 1358 C LYS A 98 14.280 -9.087 5.057 1.00 72.02 C ATOM 1359 O LYS A 98 13.550 -9.960 4.584 1.00 4.41 O ATOM 1360 CB LYS A 98 15.995 -7.613 3.803 1.00 50.13 C ATOM 1361 CG LYS A 98 15.552 -7.521 2.353 1.00 34.42 C ATOM 1362 CD LYS A 98 14.046 -7.615 2.182 1.00 64.03 C ATOM 1363 CE LYS A 98 13.364 -6.286 1.908 1.00 21.30 C ATOM 1364 NZ LYS A 98 12.099 -6.558 1.200 1.00 63.43 N ATOM 0 H LYS A 98 15.477 -10.320 3.012 1.00 2.44 H new ATOM 0 HA LYS A 98 16.360 -8.844 5.434 1.00 54.13 H new ATOM 0 HB2 LYS A 98 15.517 -6.802 4.351 1.00 50.13 H new ATOM 0 HB3 LYS A 98 17.069 -7.431 3.837 1.00 50.13 H new ATOM 0 HG2 LYS A 98 15.901 -6.578 1.932 1.00 34.42 H new ATOM 0 HG3 LYS A 98 16.027 -8.320 1.783 1.00 34.42 H new ATOM 0 HD2 LYS A 98 13.827 -8.298 1.361 1.00 64.03 H new ATOM 0 HD3 LYS A 98 13.616 -8.052 3.084 1.00 64.03 H new ATOM 0 HE2 LYS A 98 13.172 -5.757 2.842 1.00 21.30 H new ATOM 0 HE3 LYS A 98 14.007 -5.645 1.305 1.00 21.30 H new ATOM 0 HZ1 LYS A 98 11.498 -5.710 1.224 1.00 63.43 H new ATOM 0 HZ2 LYS A 98 12.302 -6.810 0.212 1.00 63.43 H new ATOM 0 HZ3 LYS A 98 11.604 -7.346 1.664 1.00 63.43 H new ATOM 1374 N THR A 99 13.836 -8.153 5.888 1.00 70.45 N ATOM 1375 CA THR A 99 12.470 -8.077 6.384 1.00 42.54 C ATOM 1376 C THR A 99 11.978 -6.625 6.318 1.00 52.53 C ATOM 1377 O THR A 99 12.789 -5.711 6.164 1.00 74.05 O ATOM 1378 CB THR A 99 12.423 -8.692 7.793 1.00 71.35 C ATOM 1379 OG1 THR A 99 13.491 -8.213 8.590 1.00 4.52 O ATOM 1380 CG2 THR A 99 12.553 -10.219 7.727 1.00 21.40 C ATOM 0 H THR A 99 14.433 -7.407 6.245 1.00 70.45 H new ATOM 0 HA THR A 99 11.784 -8.654 5.763 1.00 42.54 H new ATOM 0 HB THR A 99 11.465 -8.409 8.229 1.00 71.35 H new ATOM 0 HG1 THR A 99 13.440 -8.616 9.482 1.00 4.52 H new ATOM 0 HG21 THR A 99 12.517 -10.631 8.735 1.00 21.40 H new ATOM 0 HG22 THR A 99 11.733 -10.629 7.138 1.00 21.40 H new ATOM 0 HG23 THR A 99 13.502 -10.484 7.261 1.00 21.40 H new ATOM 1388 N ILE A 100 10.665 -6.395 6.381 1.00 4.43 N ATOM 1389 CA ILE A 100 10.062 -5.090 6.093 1.00 11.24 C ATOM 1390 C ILE A 100 9.927 -4.315 7.399 1.00 61.13 C ATOM 1391 O ILE A 100 9.563 -4.890 8.427 1.00 71.05 O ATOM 1392 CB ILE A 100 8.703 -5.266 5.374 1.00 61.11 C ATOM 1393 CG1 ILE A 100 8.684 -6.364 4.285 1.00 23.11 C ATOM 1394 CG2 ILE A 100 8.279 -3.932 4.740 1.00 23.24 C ATOM 1395 CD1 ILE A 100 9.966 -6.535 3.464 1.00 42.54 C ATOM 0 H ILE A 100 9.985 -7.112 6.635 1.00 4.43 H new ATOM 0 HA ILE A 100 10.700 -4.521 5.417 1.00 11.24 H new ATOM 0 HB ILE A 100 8.004 -5.588 6.146 1.00 61.11 H new ATOM 0 HG12 ILE A 100 8.456 -7.316 4.764 1.00 23.11 H new ATOM 0 HG13 ILE A 100 7.865 -6.149 3.598 1.00 23.11 H new ATOM 0 HG21 ILE A 100 7.322 -4.058 4.234 1.00 23.24 H new ATOM 0 HG22 ILE A 100 8.182 -3.174 5.517 1.00 23.24 H new ATOM 0 HG23 ILE A 100 9.032 -3.617 4.018 1.00 23.24 H new ATOM 0 HD11 ILE A 100 9.828 -7.334 2.735 1.00 42.54 H new ATOM 0 HD12 ILE A 100 10.192 -5.604 2.944 1.00 42.54 H new ATOM 0 HD13 ILE A 100 10.792 -6.789 4.128 1.00 42.54 H new ATOM 1406 N ASN A 101 10.198 -3.011 7.357 1.00 0.30 N ATOM 1407 CA ASN A 101 10.006 -2.130 8.502 1.00 34.14 C ATOM 1408 C ASN A 101 8.535 -1.727 8.598 1.00 33.13 C ATOM 1409 O ASN A 101 7.740 -1.986 7.688 1.00 22.23 O ATOM 1410 CB ASN A 101 10.922 -0.900 8.374 1.00 75.45 C ATOM 1411 CG ASN A 101 12.174 -1.062 9.222 1.00 35.24 C ATOM 1412 OD1 ASN A 101 12.939 -2.011 9.070 1.00 74.04 O ATOM 1413 ND2 ASN A 101 12.426 -0.130 10.118 1.00 75.43 N ATOM 0 H ASN A 101 10.557 -2.538 6.527 1.00 0.30 H new ATOM 0 HA ASN A 101 10.274 -2.652 9.420 1.00 34.14 H new ATOM 0 HB2 ASN A 101 11.201 -0.757 7.330 1.00 75.45 H new ATOM 0 HB3 ASN A 101 10.381 -0.006 8.684 1.00 75.45 H new ATOM 0 HD21 ASN A 101 13.265 -0.191 10.696 1.00 75.43 H new ATOM 0 HD22 ASN A 101 11.783 0.653 10.234 1.00 75.43 H new ATOM 1419 N VAL A 102 8.166 -1.009 9.649 1.00 1.52 N ATOM 1420 CA VAL A 102 6.833 -0.472 9.892 1.00 54.25 C ATOM 1421 C VAL A 102 6.941 1.015 10.225 1.00 75.34 C ATOM 1422 O VAL A 102 7.721 1.399 11.096 1.00 42.52 O ATOM 1423 CB VAL A 102 6.080 -1.359 10.901 1.00 63.21 C ATOM 1424 CG1 VAL A 102 6.943 -1.793 12.084 1.00 55.52 C ATOM 1425 CG2 VAL A 102 4.844 -0.645 11.463 1.00 0.40 C ATOM 0 H VAL A 102 8.821 -0.773 10.394 1.00 1.52 H new ATOM 0 HA VAL A 102 6.207 -0.509 9.001 1.00 54.25 H new ATOM 0 HB VAL A 102 5.790 -2.243 10.334 1.00 63.21 H new ATOM 0 HG11 VAL A 102 6.352 -2.415 12.756 1.00 55.52 H new ATOM 0 HG12 VAL A 102 7.799 -2.362 11.721 1.00 55.52 H new ATOM 0 HG13 VAL A 102 7.295 -0.912 12.620 1.00 55.52 H new ATOM 0 HG21 VAL A 102 4.337 -1.300 12.172 1.00 0.40 H new ATOM 0 HG22 VAL A 102 5.151 0.270 11.970 1.00 0.40 H new ATOM 0 HG23 VAL A 102 4.165 -0.397 10.647 1.00 0.40 H new ATOM 1435 N GLU A 103 6.213 1.852 9.488 1.00 52.34 N ATOM 1436 CA GLU A 103 6.214 3.304 9.584 1.00 71.02 C ATOM 1437 C GLU A 103 4.967 3.819 8.833 1.00 63.33 C ATOM 1438 O GLU A 103 4.326 3.060 8.101 1.00 2.32 O ATOM 1439 CB GLU A 103 7.530 3.811 8.959 1.00 20.42 C ATOM 1440 CG GLU A 103 7.764 5.316 9.069 1.00 41.44 C ATOM 1441 CD GLU A 103 7.765 5.837 10.506 1.00 73.04 C ATOM 1442 OE1 GLU A 103 6.673 6.100 11.065 1.00 64.43 O ATOM 1443 OE2 GLU A 103 8.866 6.018 11.076 1.00 1.32 O ATOM 0 H GLU A 103 5.573 1.513 8.770 1.00 52.34 H new ATOM 0 HA GLU A 103 6.166 3.664 10.612 1.00 71.02 H new ATOM 0 HB2 GLU A 103 8.363 3.294 9.436 1.00 20.42 H new ATOM 0 HB3 GLU A 103 7.544 3.533 7.905 1.00 20.42 H new ATOM 0 HG2 GLU A 103 8.718 5.561 8.603 1.00 41.44 H new ATOM 0 HG3 GLU A 103 6.991 5.837 8.504 1.00 41.44 H new ATOM 1448 N PHE A 104 4.599 5.097 8.961 1.00 53.51 N ATOM 1449 CA PHE A 104 3.532 5.709 8.174 1.00 71.35 C ATOM 1450 C PHE A 104 3.971 7.043 7.553 1.00 60.22 C ATOM 1451 O PHE A 104 5.088 7.505 7.801 1.00 40.25 O ATOM 1452 CB PHE A 104 2.248 5.800 9.004 1.00 23.00 C ATOM 1453 CG PHE A 104 2.134 6.800 10.142 1.00 22.42 C ATOM 1454 CD1 PHE A 104 3.229 7.522 10.659 1.00 34.34 C ATOM 1455 CD2 PHE A 104 0.856 7.005 10.688 1.00 34.12 C ATOM 1456 CE1 PHE A 104 3.027 8.457 11.689 1.00 12.22 C ATOM 1457 CE2 PHE A 104 0.651 7.933 11.720 1.00 11.11 C ATOM 1458 CZ PHE A 104 1.738 8.673 12.209 1.00 1.11 C ATOM 0 H PHE A 104 5.039 5.739 9.620 1.00 53.51 H new ATOM 0 HA PHE A 104 3.307 5.068 7.322 1.00 71.35 H new ATOM 0 HB2 PHE A 104 1.432 6.006 8.312 1.00 23.00 H new ATOM 0 HB3 PHE A 104 2.067 4.811 9.425 1.00 23.00 H new ATOM 0 HD1 PHE A 104 4.221 7.357 10.265 1.00 34.34 H new ATOM 0 HD2 PHE A 104 0.018 6.439 10.307 1.00 34.12 H new ATOM 0 HE1 PHE A 104 3.865 9.012 12.083 1.00 12.22 H new ATOM 0 HE2 PHE A 104 -0.336 8.077 12.135 1.00 11.11 H new ATOM 0 HZ PHE A 104 1.585 9.409 12.985 1.00 1.11 H new ATOM 1467 N ALA A 105 3.104 7.644 6.729 1.00 20.44 N ATOM 1468 CA ALA A 105 3.324 8.936 6.082 1.00 51.54 C ATOM 1469 C ALA A 105 2.019 9.756 6.071 1.00 60.35 C ATOM 1470 O ALA A 105 1.714 10.471 5.109 1.00 71.15 O ATOM 1471 CB ALA A 105 3.917 8.724 4.683 1.00 43.11 C ATOM 0 H ALA A 105 2.204 7.229 6.489 1.00 20.44 H new ATOM 0 HA ALA A 105 4.050 9.519 6.648 1.00 51.54 H new ATOM 0 HB1 ALA A 105 4.079 9.691 4.206 1.00 43.11 H new ATOM 0 HB2 ALA A 105 4.868 8.197 4.767 1.00 43.11 H new ATOM 0 HB3 ALA A 105 3.227 8.133 4.081 1.00 43.11 H new ATOM 1477 N LYS A 106 1.205 9.614 7.122 1.00 62.35 N ATOM 1478 CA LYS A 106 0.045 10.456 7.394 1.00 2.40 C ATOM 1479 C LYS A 106 0.561 11.787 7.912 1.00 73.02 C ATOM 1480 O LYS A 106 1.200 11.806 8.963 1.00 71.33 O ATOM 1481 CB LYS A 106 -0.843 9.775 8.445 1.00 43.41 C ATOM 1482 CG LYS A 106 -1.739 10.751 9.240 1.00 51.13 C ATOM 1483 CD LYS A 106 -2.832 9.948 9.926 1.00 0.51 C ATOM 1484 CE LYS A 106 -3.650 10.704 10.985 1.00 42.42 C ATOM 1485 NZ LYS A 106 -2.887 10.986 12.223 1.00 13.51 N ATOM 0 H LYS A 106 1.343 8.888 7.825 1.00 62.35 H new ATOM 0 HA LYS A 106 -0.551 10.611 6.495 1.00 2.40 H new ATOM 0 HB2 LYS A 106 -1.476 9.039 7.949 1.00 43.41 H new ATOM 0 HB3 LYS A 106 -0.208 9.230 9.144 1.00 43.41 H new ATOM 0 HG2 LYS A 106 -1.148 11.294 9.977 1.00 51.13 H new ATOM 0 HG3 LYS A 106 -2.176 11.494 8.573 1.00 51.13 H new ATOM 0 HD2 LYS A 106 -3.516 9.575 9.164 1.00 0.51 H new ATOM 0 HD3 LYS A 106 -2.376 9.078 10.399 1.00 0.51 H new ATOM 0 HE2 LYS A 106 -4.000 11.645 10.560 1.00 42.42 H new ATOM 0 HE3 LYS A 106 -4.534 10.119 11.237 1.00 42.42 H new ATOM 0 HZ1 LYS A 106 -3.494 11.497 12.896 1.00 13.51 H new ATOM 0 HZ2 LYS A 106 -2.574 10.091 12.650 1.00 13.51 H new ATOM 0 HZ3 LYS A 106 -2.057 11.569 11.994 1.00 13.51 H new