USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 87 ASN : amide:sc= -2.16! C(o=-1.6!,f=-4.3!) USER MOD Set 1.2: A 90 ASN : amide:sc= 0.561 K(o=-1.6,f=-4.2) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= -0.129 USER MOD Set 2.2: A 72 MET CE :methyl -170:sc= -0.681 (180deg=-0.868) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0.18 USER MOD Set 3.2: A 64 LYS NZ :NH3+ -137:sc= -0.135 (180deg=-1.84!) USER MOD Set 4.1: A 36 GLN : amide:sc= 0 K(o=0.78,f=0.24) USER MOD Set 4.2: A 43 THR OG1 : rot -41:sc= 0.776 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.835 K(o=0.84,f=-1.5) USER MOD Single : A 54 ASN : amide:sc= 0.334 X(o=0.33,f=-0.00022) USER MOD Single : A 56 GLN : amide:sc= 0.0045 X(o=0.0045,f=-0.071) USER MOD Single : A 62 MET CE :methyl -165:sc= -0.0825 (180deg=-0.495) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.012) USER MOD Single : A 68 THR OG1 : rot 104:sc= 1.02 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 77 GLN : amide:sc= -0.0266 K(o=-0.027,f=-4!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.0112 USER MOD Single : A 82 GLN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 84 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.9) USER MOD Single : A 85 GLN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -11.318 6.296 0.934 1.00 4.02 N ATOM 280 CA VAL A 21 -11.274 4.902 1.344 1.00 45.20 C ATOM 281 C VAL A 21 -9.905 4.287 1.026 1.00 50.44 C ATOM 282 O VAL A 21 -9.319 4.543 -0.027 1.00 42.10 O ATOM 283 CB VAL A 21 -12.476 4.169 0.722 1.00 21.53 C ATOM 284 CG1 VAL A 21 -12.587 4.279 -0.807 1.00 45.31 C ATOM 285 CG2 VAL A 21 -12.502 2.690 1.114 1.00 31.33 C ATOM 0 HA VAL A 21 -11.372 4.803 2.425 1.00 45.20 H new ATOM 0 HB VAL A 21 -13.338 4.691 1.139 1.00 21.53 H new ATOM 0 HG11 VAL A 21 -13.465 3.730 -1.149 1.00 45.31 H new ATOM 0 HG12 VAL A 21 -12.682 5.327 -1.090 1.00 45.31 H new ATOM 0 HG13 VAL A 21 -11.694 3.858 -1.268 1.00 45.31 H new ATOM 0 HG21 VAL A 21 -13.365 2.207 0.655 1.00 31.33 H new ATOM 0 HG22 VAL A 21 -11.589 2.206 0.768 1.00 31.33 H new ATOM 0 HG23 VAL A 21 -12.571 2.602 2.198 1.00 31.33 H new ATOM 295 N LEU A 22 -9.368 3.495 1.960 1.00 51.11 N ATOM 296 CA LEU A 22 -8.096 2.791 1.768 1.00 61.21 C ATOM 297 C LEU A 22 -8.201 1.784 0.610 1.00 25.54 C ATOM 298 O LEU A 22 -9.251 1.152 0.481 1.00 50.35 O ATOM 299 CB LEU A 22 -7.696 2.017 3.042 1.00 44.22 C ATOM 300 CG LEU A 22 -7.238 2.889 4.224 1.00 5.23 C ATOM 301 CD1 LEU A 22 -7.089 2.021 5.480 1.00 13.32 C ATOM 302 CD2 LEU A 22 -5.898 3.586 3.946 1.00 44.32 C ATOM 0 H LEU A 22 -9.801 3.324 2.867 1.00 51.11 H new ATOM 0 HA LEU A 22 -7.342 3.545 1.541 1.00 61.21 H new ATOM 0 HB2 LEU A 22 -8.546 1.415 3.364 1.00 44.22 H new ATOM 0 HB3 LEU A 22 -6.893 1.325 2.790 1.00 44.22 H new ATOM 0 HG LEU A 22 -7.998 3.656 4.372 1.00 5.23 H new ATOM 0 HD11 LEU A 22 -6.764 2.642 6.315 1.00 13.32 H new ATOM 0 HD12 LEU A 22 -8.048 1.562 5.721 1.00 13.32 H new ATOM 0 HD13 LEU A 22 -6.349 1.242 5.298 1.00 13.32 H new ATOM 0 HD21 LEU A 22 -5.616 4.190 4.809 1.00 44.32 H new ATOM 0 HD22 LEU A 22 -5.129 2.836 3.761 1.00 44.32 H new ATOM 0 HD23 LEU A 22 -5.996 4.228 3.070 1.00 44.32 H new ATOM 313 N PRO A 23 -7.124 1.555 -0.165 1.00 72.11 N ATOM 314 CA PRO A 23 -7.050 0.471 -1.147 1.00 24.51 C ATOM 315 C PRO A 23 -7.171 -0.924 -0.499 1.00 1.33 C ATOM 316 O PRO A 23 -6.977 -1.057 0.717 1.00 63.22 O ATOM 317 CB PRO A 23 -5.705 0.645 -1.867 1.00 42.03 C ATOM 318 CG PRO A 23 -4.887 1.535 -0.944 1.00 30.44 C ATOM 319 CD PRO A 23 -5.917 2.363 -0.199 1.00 13.44 C ATOM 0 HA PRO A 23 -7.887 0.528 -1.843 1.00 24.51 H new ATOM 0 HB2 PRO A 23 -5.215 -0.315 -2.029 1.00 42.03 H new ATOM 0 HB3 PRO A 23 -5.836 1.105 -2.847 1.00 42.03 H new ATOM 0 HG2 PRO A 23 -4.282 0.944 -0.257 1.00 30.44 H new ATOM 0 HG3 PRO A 23 -4.202 2.168 -1.508 1.00 30.44 H new ATOM 0 HD2 PRO A 23 -5.575 2.598 0.809 1.00 13.44 H new ATOM 0 HD3 PRO A 23 -6.096 3.312 -0.704 1.00 13.44 H new ATOM 324 N PRO A 24 -7.464 -1.974 -1.290 1.00 74.41 N ATOM 325 CA PRO A 24 -7.697 -3.325 -0.786 1.00 4.32 C ATOM 326 C PRO A 24 -6.403 -4.011 -0.330 1.00 42.22 C ATOM 327 O PRO A 24 -5.291 -3.606 -0.665 1.00 14.02 O ATOM 328 CB PRO A 24 -8.336 -4.079 -1.954 1.00 63.45 C ATOM 329 CG PRO A 24 -7.739 -3.395 -3.180 1.00 30.42 C ATOM 330 CD PRO A 24 -7.674 -1.937 -2.733 1.00 63.43 C ATOM 0 HA PRO A 24 -8.335 -3.309 0.098 1.00 4.32 H new ATOM 0 HB2 PRO A 24 -8.094 -5.141 -1.928 1.00 63.45 H new ATOM 0 HB3 PRO A 24 -9.423 -3.999 -1.938 1.00 63.45 H new ATOM 0 HG2 PRO A 24 -6.754 -3.790 -3.428 1.00 30.42 H new ATOM 0 HG3 PRO A 24 -8.365 -3.523 -4.063 1.00 30.42 H new ATOM 0 HD2 PRO A 24 -6.861 -1.410 -3.233 1.00 63.43 H new ATOM 0 HD3 PRO A 24 -8.596 -1.410 -2.981 1.00 63.43 H new ATOM 335 N THR A 25 -6.547 -5.112 0.404 1.00 32.12 N ATOM 336 CA THR A 25 -5.460 -5.769 1.127 1.00 71.33 C ATOM 337 C THR A 25 -5.642 -7.295 1.011 1.00 70.45 C ATOM 338 O THR A 25 -6.775 -7.738 0.788 1.00 5.11 O ATOM 339 CB THR A 25 -5.422 -5.231 2.585 1.00 64.55 C ATOM 340 OG1 THR A 25 -6.472 -4.336 2.904 1.00 13.30 O ATOM 341 CG2 THR A 25 -4.166 -4.398 2.846 1.00 10.04 C ATOM 0 H THR A 25 -7.444 -5.584 0.515 1.00 32.12 H new ATOM 0 HA THR A 25 -4.484 -5.542 0.698 1.00 71.33 H new ATOM 0 HB THR A 25 -5.483 -6.142 3.180 1.00 64.55 H new ATOM 0 HG1 THR A 25 -6.381 -4.044 3.835 1.00 13.30 H new ATOM 0 HG21 THR A 25 -4.175 -4.039 3.875 1.00 10.04 H new ATOM 0 HG22 THR A 25 -3.281 -5.013 2.684 1.00 10.04 H new ATOM 0 HG23 THR A 25 -4.146 -3.547 2.165 1.00 10.04 H new ATOM 349 N PRO A 26 -4.567 -8.113 1.066 1.00 22.23 N ATOM 350 CA PRO A 26 -4.677 -9.566 0.968 1.00 31.22 C ATOM 351 C PRO A 26 -5.383 -10.161 2.184 1.00 2.41 C ATOM 352 O PRO A 26 -5.088 -9.809 3.325 1.00 12.34 O ATOM 353 CB PRO A 26 -3.252 -10.120 0.881 1.00 3.02 C ATOM 354 CG PRO A 26 -2.409 -9.013 1.498 1.00 41.23 C ATOM 355 CD PRO A 26 -3.169 -7.730 1.190 1.00 31.11 C ATOM 0 HA PRO A 26 -5.268 -9.831 0.091 1.00 31.22 H new ATOM 0 HB2 PRO A 26 -3.150 -11.057 1.429 1.00 3.02 H new ATOM 0 HB3 PRO A 26 -2.960 -10.321 -0.150 1.00 3.02 H new ATOM 0 HG2 PRO A 26 -2.293 -9.156 2.572 1.00 41.23 H new ATOM 0 HG3 PRO A 26 -1.407 -8.992 1.069 1.00 41.23 H new ATOM 0 HD2 PRO A 26 -3.034 -6.996 1.985 1.00 31.11 H new ATOM 0 HD3 PRO A 26 -2.806 -7.273 0.269 1.00 31.11 H new ATOM 360 N LYS A 27 -6.216 -11.170 1.937 1.00 72.21 N ATOM 361 CA LYS A 27 -7.020 -11.917 2.905 1.00 70.14 C ATOM 362 C LYS A 27 -6.244 -12.776 3.912 1.00 61.35 C ATOM 363 O LYS A 27 -6.737 -13.824 4.329 1.00 24.32 O ATOM 364 CB LYS A 27 -8.059 -12.744 2.144 1.00 65.22 C ATOM 365 CG LYS A 27 -7.403 -13.767 1.203 1.00 32.22 C ATOM 366 CD LYS A 27 -8.313 -14.977 1.009 1.00 4.31 C ATOM 367 CE LYS A 27 -8.212 -15.929 2.209 1.00 2.00 C ATOM 368 NZ LYS A 27 -9.144 -17.069 2.102 1.00 62.11 N ATOM 0 H LYS A 27 -6.358 -11.512 0.987 1.00 72.21 H new ATOM 0 HA LYS A 27 -7.496 -11.171 3.541 1.00 70.14 H new ATOM 0 HB2 LYS A 27 -8.700 -13.265 2.856 1.00 65.22 H new ATOM 0 HB3 LYS A 27 -8.700 -12.078 1.566 1.00 65.22 H new ATOM 0 HG2 LYS A 27 -7.196 -13.302 0.239 1.00 32.22 H new ATOM 0 HG3 LYS A 27 -6.446 -14.087 1.615 1.00 32.22 H new ATOM 0 HD2 LYS A 27 -9.344 -14.647 0.886 1.00 4.31 H new ATOM 0 HD3 LYS A 27 -8.036 -15.504 0.096 1.00 4.31 H new ATOM 0 HE2 LYS A 27 -7.191 -16.304 2.287 1.00 2.00 H new ATOM 0 HE3 LYS A 27 -8.420 -15.377 3.126 1.00 2.00 H new ATOM 0 HZ1 LYS A 27 -9.039 -17.683 2.935 1.00 62.11 H new ATOM 0 HZ2 LYS A 27 -10.121 -16.715 2.054 1.00 62.11 H new ATOM 0 HZ3 LYS A 27 -8.930 -17.613 1.242 1.00 62.11 H new ATOM 378 N ASN A 28 -5.017 -12.402 4.258 1.00 42.31 N ATOM 379 CA ASN A 28 -4.031 -13.228 4.904 1.00 14.04 C ATOM 380 C ASN A 28 -3.591 -12.589 6.210 1.00 13.41 C ATOM 381 O ASN A 28 -3.290 -13.290 7.169 1.00 72.24 O ATOM 382 CB ASN A 28 -2.826 -13.372 3.971 1.00 31.23 C ATOM 383 CG ASN A 28 -3.113 -14.323 2.823 1.00 23.53 C ATOM 384 OD1 ASN A 28 -3.629 -13.820 1.715 1.00 43.13 O flip ATOM 385 ND2 ASN A 28 -2.862 -15.518 2.922 1.00 44.33 N flip ATOM 0 H ASN A 28 -4.675 -11.458 4.080 1.00 42.31 H new ATOM 0 HA ASN A 28 -4.457 -14.208 5.120 1.00 14.04 H new ATOM 0 HB2 ASN A 28 -2.555 -12.394 3.574 1.00 31.23 H new ATOM 0 HB3 ASN A 28 -1.969 -13.735 4.538 1.00 31.23 H new ATOM 0 HD21 ASN A 28 -2.464 -15.886 3.786 1.00 44.33 H new ATOM 0 HD22 ASN A 28 -3.051 -16.145 2.140 1.00 44.33 H new ATOM 391 N ILE A 29 -3.516 -11.256 6.238 1.00 12.00 N ATOM 392 CA ILE A 29 -3.088 -10.429 7.359 1.00 33.32 C ATOM 393 C ILE A 29 -3.835 -9.086 7.197 1.00 43.13 C ATOM 394 O ILE A 29 -4.360 -8.841 6.116 1.00 45.02 O ATOM 395 CB ILE A 29 -1.547 -10.249 7.375 1.00 22.22 C ATOM 396 CG1 ILE A 29 -0.946 -9.281 6.330 1.00 11.34 C ATOM 397 CG2 ILE A 29 -0.786 -11.578 7.318 1.00 32.40 C ATOM 398 CD1 ILE A 29 -0.857 -9.780 4.899 1.00 74.52 C ATOM 0 H ILE A 29 -3.769 -10.694 5.425 1.00 12.00 H new ATOM 0 HA ILE A 29 -3.328 -10.892 8.316 1.00 33.32 H new ATOM 0 HB ILE A 29 -1.403 -9.771 8.344 1.00 22.22 H new ATOM 0 HG12 ILE A 29 -1.540 -8.367 6.334 1.00 11.34 H new ATOM 0 HG13 ILE A 29 0.058 -9.010 6.657 1.00 11.34 H new ATOM 0 HG21 ILE A 29 0.287 -11.384 7.332 1.00 32.40 H new ATOM 0 HG22 ILE A 29 -1.056 -12.189 8.179 1.00 32.40 H new ATOM 0 HG23 ILE A 29 -1.047 -12.108 6.402 1.00 32.40 H new ATOM 0 HD11 ILE A 29 -0.418 -9.005 4.270 1.00 74.52 H new ATOM 0 HD12 ILE A 29 -0.233 -10.673 4.863 1.00 74.52 H new ATOM 0 HD13 ILE A 29 -1.856 -10.020 4.535 1.00 74.52 H new ATOM 409 N PRO A 30 -3.889 -8.199 8.200 1.00 3.42 N ATOM 410 CA PRO A 30 -4.469 -6.857 8.051 1.00 62.44 C ATOM 411 C PRO A 30 -3.469 -5.835 7.466 1.00 45.24 C ATOM 412 O PRO A 30 -2.277 -6.135 7.354 1.00 22.42 O ATOM 413 CB PRO A 30 -4.848 -6.484 9.479 1.00 10.11 C ATOM 414 CG PRO A 30 -3.773 -7.161 10.328 1.00 73.54 C ATOM 415 CD PRO A 30 -3.477 -8.448 9.569 1.00 70.55 C ATOM 0 HA PRO A 30 -5.307 -6.850 7.354 1.00 62.44 H new ATOM 0 HB2 PRO A 30 -4.851 -5.404 9.623 1.00 10.11 H new ATOM 0 HB3 PRO A 30 -5.845 -6.842 9.735 1.00 10.11 H new ATOM 0 HG2 PRO A 30 -2.884 -6.537 10.422 1.00 73.54 H new ATOM 0 HG3 PRO A 30 -4.128 -7.364 11.338 1.00 73.54 H new ATOM 0 HD2 PRO A 30 -2.417 -8.698 9.620 1.00 70.55 H new ATOM 0 HD3 PRO A 30 -4.024 -9.289 9.996 1.00 70.55 H new ATOM 420 N LEU A 31 -3.912 -4.598 7.175 1.00 23.53 N ATOM 421 CA LEU A 31 -3.065 -3.462 6.754 1.00 72.33 C ATOM 422 C LEU A 31 -1.772 -3.330 7.573 1.00 71.35 C ATOM 423 O LEU A 31 -0.698 -3.383 6.975 1.00 43.03 O ATOM 424 CB LEU A 31 -3.869 -2.148 6.729 1.00 13.44 C ATOM 425 CG LEU A 31 -3.096 -0.850 6.382 1.00 5.40 C ATOM 426 CD1 LEU A 31 -2.259 -0.234 7.513 1.00 5.30 C ATOM 427 CD2 LEU A 31 -2.188 -0.958 5.159 1.00 24.23 C ATOM 0 H LEU A 31 -4.900 -4.352 7.227 1.00 23.53 H new ATOM 0 HA LEU A 31 -2.743 -3.678 5.735 1.00 72.33 H new ATOM 0 HB2 LEU A 31 -4.679 -2.261 6.008 1.00 13.44 H new ATOM 0 HB3 LEU A 31 -4.330 -2.015 7.708 1.00 13.44 H new ATOM 0 HG LEU A 31 -3.935 -0.186 6.173 1.00 5.40 H new ATOM 0 HD11 LEU A 31 -1.766 0.668 7.151 1.00 5.30 H new ATOM 0 HD12 LEU A 31 -2.909 0.019 8.350 1.00 5.30 H new ATOM 0 HD13 LEU A 31 -1.507 -0.952 7.842 1.00 5.30 H new ATOM 0 HD21 LEU A 31 -1.688 -0.004 4.992 1.00 24.23 H new ATOM 0 HD22 LEU A 31 -1.442 -1.734 5.327 1.00 24.23 H new ATOM 0 HD23 LEU A 31 -2.785 -1.213 4.284 1.00 24.23 H new ATOM 438 N PRO A 32 -1.801 -3.173 8.912 1.00 45.43 N ATOM 439 CA PRO A 32 -0.577 -2.938 9.669 1.00 2.01 C ATOM 440 C PRO A 32 0.403 -4.114 9.635 1.00 51.02 C ATOM 441 O PRO A 32 1.570 -3.912 9.962 1.00 32.31 O ATOM 442 CB PRO A 32 -1.017 -2.598 11.096 1.00 64.24 C ATOM 443 CG PRO A 32 -2.428 -3.168 11.201 1.00 25.21 C ATOM 444 CD PRO A 32 -2.952 -2.996 9.781 1.00 34.42 C ATOM 0 HA PRO A 32 -0.015 -2.121 9.218 1.00 2.01 H new ATOM 0 HB2 PRO A 32 -0.351 -3.045 11.835 1.00 64.24 H new ATOM 0 HB3 PRO A 32 -1.009 -1.522 11.269 1.00 64.24 H new ATOM 0 HG2 PRO A 32 -2.423 -4.214 11.509 1.00 25.21 H new ATOM 0 HG3 PRO A 32 -3.033 -2.625 11.927 1.00 25.21 H new ATOM 0 HD2 PRO A 32 -3.727 -3.729 9.558 1.00 34.42 H new ATOM 0 HD3 PRO A 32 -3.397 -2.010 9.645 1.00 34.42 H new ATOM 449 N ALA A 33 -0.009 -5.320 9.233 1.00 10.30 N ATOM 450 CA ALA A 33 0.921 -6.394 8.944 1.00 24.23 C ATOM 451 C ALA A 33 1.428 -6.205 7.522 1.00 33.53 C ATOM 452 O ALA A 33 2.641 -6.235 7.314 1.00 50.11 O ATOM 453 CB ALA A 33 0.223 -7.731 9.142 1.00 70.33 C ATOM 0 H ALA A 33 -0.989 -5.569 9.102 1.00 10.30 H new ATOM 0 HA ALA A 33 1.777 -6.378 9.619 1.00 24.23 H new ATOM 0 HB1 ALA A 33 0.920 -8.541 8.925 1.00 70.33 H new ATOM 0 HB2 ALA A 33 -0.120 -7.813 10.173 1.00 70.33 H new ATOM 0 HB3 ALA A 33 -0.632 -7.798 8.469 1.00 70.33 H new ATOM 459 N PHE A 34 0.508 -5.959 6.579 1.00 73.52 N ATOM 460 CA PHE A 34 0.761 -5.992 5.142 1.00 54.42 C ATOM 461 C PHE A 34 1.897 -5.095 4.649 1.00 14.23 C ATOM 462 O PHE A 34 2.433 -5.346 3.574 1.00 2.40 O ATOM 463 CB PHE A 34 -0.514 -5.725 4.341 1.00 50.03 C ATOM 464 CG PHE A 34 -0.377 -5.917 2.835 1.00 51.12 C ATOM 465 CD1 PHE A 34 0.254 -7.063 2.306 1.00 31.32 C ATOM 466 CD2 PHE A 34 -0.836 -4.922 1.949 1.00 2.24 C ATOM 467 CE1 PHE A 34 0.444 -7.191 0.922 1.00 1.01 C ATOM 468 CE2 PHE A 34 -0.709 -5.092 0.561 1.00 11.03 C ATOM 469 CZ PHE A 34 -0.051 -6.216 0.044 1.00 34.22 C ATOM 0 H PHE A 34 -0.458 -5.725 6.807 1.00 73.52 H new ATOM 0 HA PHE A 34 1.104 -7.011 4.962 1.00 54.42 H new ATOM 0 HB2 PHE A 34 -1.301 -6.385 4.707 1.00 50.03 H new ATOM 0 HB3 PHE A 34 -0.840 -4.703 4.534 1.00 50.03 H new ATOM 0 HD1 PHE A 34 0.592 -7.845 2.970 1.00 31.32 H new ATOM 0 HD2 PHE A 34 -1.288 -4.023 2.340 1.00 2.24 H new ATOM 0 HE1 PHE A 34 0.975 -8.046 0.530 1.00 1.01 H new ATOM 0 HE2 PHE A 34 -1.120 -4.353 -0.111 1.00 11.03 H new ATOM 0 HZ PHE A 34 0.074 -6.331 -1.023 1.00 34.22 H new ATOM 478 N GLY A 35 2.310 -4.098 5.425 1.00 53.31 N ATOM 479 CA GLY A 35 3.549 -3.381 5.191 1.00 73.32 C ATOM 480 C GLY A 35 4.599 -3.782 6.213 1.00 31.21 C ATOM 481 O GLY A 35 5.677 -4.270 5.871 1.00 41.15 O ATOM 0 H GLY A 35 1.789 -3.767 6.237 1.00 53.31 H new ATOM 0 HA2 GLY A 35 3.913 -3.592 4.185 1.00 73.32 H new ATOM 0 HA3 GLY A 35 3.370 -2.307 5.247 1.00 73.32 H new ATOM 485 N GLN A 36 4.293 -3.552 7.490 1.00 71.51 N ATOM 486 CA GLN A 36 5.291 -3.478 8.550 1.00 52.32 C ATOM 487 C GLN A 36 6.021 -4.797 8.796 1.00 21.40 C ATOM 488 O GLN A 36 7.123 -4.767 9.338 1.00 5.30 O ATOM 489 CB GLN A 36 4.643 -2.991 9.849 1.00 22.41 C ATOM 490 CG GLN A 36 3.829 -1.691 9.701 1.00 45.23 C ATOM 491 CD GLN A 36 3.193 -1.284 11.025 1.00 3.12 C ATOM 492 OE1 GLN A 36 3.705 -1.554 12.109 1.00 62.51 O ATOM 493 NE2 GLN A 36 2.024 -0.679 10.988 1.00 5.24 N ATOM 0 H GLN A 36 3.337 -3.411 7.817 1.00 71.51 H new ATOM 0 HA GLN A 36 6.044 -2.765 8.213 1.00 52.32 H new ATOM 0 HB2 GLN A 36 3.989 -3.774 10.231 1.00 22.41 H new ATOM 0 HB3 GLN A 36 5.423 -2.835 10.594 1.00 22.41 H new ATOM 0 HG2 GLN A 36 4.478 -0.891 9.346 1.00 45.23 H new ATOM 0 HG3 GLN A 36 3.052 -1.829 8.949 1.00 45.23 H new ATOM 0 HE21 GLN A 36 1.595 -0.453 10.091 1.00 5.24 H new ATOM 0 HE22 GLN A 36 1.548 -0.437 11.857 1.00 5.24 H new ATOM 500 N ARG A 37 5.444 -5.940 8.409 1.00 14.30 N ATOM 501 CA ARG A 37 6.044 -7.260 8.615 1.00 3.41 C ATOM 502 C ARG A 37 6.146 -8.064 7.321 1.00 50.44 C ATOM 503 O ARG A 37 6.492 -9.239 7.360 1.00 45.35 O ATOM 504 CB ARG A 37 5.269 -8.018 9.702 1.00 71.43 C ATOM 505 CG ARG A 37 5.207 -7.255 11.038 1.00 42.13 C ATOM 506 CD ARG A 37 5.168 -8.235 12.209 1.00 21.12 C ATOM 507 NE ARG A 37 4.729 -7.618 13.472 1.00 73.34 N ATOM 508 CZ ARG A 37 4.096 -8.267 14.462 1.00 22.50 C ATOM 509 NH1 ARG A 37 3.824 -9.565 14.356 1.00 72.44 N ATOM 510 NH2 ARG A 37 3.732 -7.627 15.563 1.00 74.52 N ATOM 0 H ARG A 37 4.539 -5.974 7.940 1.00 14.30 H new ATOM 0 HA ARG A 37 7.070 -7.116 8.954 1.00 3.41 H new ATOM 0 HB2 ARG A 37 4.255 -8.209 9.351 1.00 71.43 H new ATOM 0 HB3 ARG A 37 5.738 -8.988 9.865 1.00 71.43 H new ATOM 0 HG2 ARG A 37 6.074 -6.601 11.131 1.00 42.13 H new ATOM 0 HG3 ARG A 37 4.323 -6.617 11.059 1.00 42.13 H new ATOM 0 HD2 ARG A 37 4.497 -9.058 11.963 1.00 21.12 H new ATOM 0 HD3 ARG A 37 6.161 -8.664 12.348 1.00 21.12 H new ATOM 0 HE ARG A 37 4.920 -6.625 13.604 1.00 73.34 H new ATOM 0 HH11 ARG A 37 4.097 -10.076 13.517 1.00 72.44 H new ATOM 0 HH12 ARG A 37 3.343 -10.049 15.114 1.00 72.44 H new ATOM 0 HH21 ARG A 37 3.932 -6.632 15.664 1.00 74.52 H new ATOM 0 HH22 ARG A 37 3.251 -8.129 16.310 1.00 74.52 H new ATOM 521 N ILE A 38 5.834 -7.452 6.178 1.00 13.40 N ATOM 522 CA ILE A 38 5.726 -8.126 4.885 1.00 64.53 C ATOM 523 C ILE A 38 6.609 -7.406 3.856 1.00 2.01 C ATOM 524 O ILE A 38 7.136 -8.054 2.957 1.00 14.01 O ATOM 525 CB ILE A 38 4.238 -8.160 4.462 1.00 33.11 C ATOM 526 CG1 ILE A 38 3.289 -8.808 5.501 1.00 13.00 C ATOM 527 CG2 ILE A 38 4.013 -8.777 3.071 1.00 42.43 C ATOM 528 CD1 ILE A 38 3.303 -10.319 5.651 1.00 70.34 C ATOM 0 H ILE A 38 5.645 -6.451 6.125 1.00 13.40 H new ATOM 0 HA ILE A 38 6.080 -9.155 4.952 1.00 64.53 H new ATOM 0 HB ILE A 38 3.970 -7.105 4.409 1.00 33.11 H new ATOM 0 HG12 ILE A 38 3.519 -8.376 6.475 1.00 13.00 H new ATOM 0 HG13 ILE A 38 2.271 -8.509 5.252 1.00 13.00 H new ATOM 0 HG21 ILE A 38 2.948 -8.769 2.838 1.00 42.43 H new ATOM 0 HG22 ILE A 38 4.553 -8.196 2.323 1.00 42.43 H new ATOM 0 HG23 ILE A 38 4.378 -9.804 3.065 1.00 42.43 H new ATOM 0 HD11 ILE A 38 2.585 -10.615 6.416 1.00 70.34 H new ATOM 0 HD12 ILE A 38 3.033 -10.781 4.702 1.00 70.34 H new ATOM 0 HD13 ILE A 38 4.301 -10.646 5.943 1.00 70.34 H new ATOM 539 N ILE A 39 6.774 -6.085 3.993 1.00 11.34 N ATOM 540 CA ILE A 39 7.516 -5.201 3.094 1.00 74.54 C ATOM 541 C ILE A 39 8.777 -4.680 3.798 1.00 63.54 C ATOM 542 O ILE A 39 9.661 -4.135 3.141 1.00 33.14 O ATOM 543 CB ILE A 39 6.594 -4.031 2.635 1.00 45.22 C ATOM 544 CG1 ILE A 39 5.224 -4.495 2.103 1.00 13.20 C ATOM 545 CG2 ILE A 39 7.246 -3.146 1.557 1.00 4.03 C ATOM 546 CD1 ILE A 39 5.234 -5.373 0.858 1.00 61.21 C ATOM 0 H ILE A 39 6.369 -5.578 4.780 1.00 11.34 H new ATOM 0 HA ILE A 39 7.831 -5.753 2.209 1.00 74.54 H new ATOM 0 HB ILE A 39 6.441 -3.452 3.546 1.00 45.22 H new ATOM 0 HG12 ILE A 39 4.717 -5.040 2.899 1.00 13.20 H new ATOM 0 HG13 ILE A 39 4.624 -3.610 1.890 1.00 13.20 H new ATOM 0 HG21 ILE A 39 6.558 -2.348 1.276 1.00 4.03 H new ATOM 0 HG22 ILE A 39 8.165 -2.711 1.950 1.00 4.03 H new ATOM 0 HG23 ILE A 39 7.477 -3.751 0.680 1.00 4.03 H new ATOM 0 HD11 ILE A 39 4.210 -5.631 0.586 1.00 61.21 H new ATOM 0 HD12 ILE A 39 5.703 -4.833 0.035 1.00 61.21 H new ATOM 0 HD13 ILE A 39 5.796 -6.285 1.060 1.00 61.21 H new ATOM 557 N GLY A 40 8.886 -4.801 5.126 1.00 11.44 N ATOM 558 CA GLY A 40 10.073 -4.352 5.861 1.00 11.01 C ATOM 559 C GLY A 40 10.203 -2.826 5.871 1.00 53.13 C ATOM 560 O GLY A 40 11.259 -2.276 6.178 1.00 51.44 O ATOM 0 H GLY A 40 8.161 -5.209 5.716 1.00 11.44 H new ATOM 0 HA2 GLY A 40 10.023 -4.718 6.887 1.00 11.01 H new ATOM 0 HA3 GLY A 40 10.964 -4.788 5.410 1.00 11.01 H new ATOM 564 N TRP A 41 9.126 -2.111 5.536 1.00 45.24 N ATOM 565 CA TRP A 41 9.088 -0.659 5.430 1.00 44.12 C ATOM 566 C TRP A 41 8.975 0.043 6.788 1.00 52.31 C ATOM 567 O TRP A 41 8.547 1.202 6.847 1.00 11.40 O ATOM 568 CB TRP A 41 7.964 -0.292 4.451 1.00 64.52 C ATOM 569 CG TRP A 41 6.550 -0.307 4.946 1.00 4.12 C ATOM 570 CD1 TRP A 41 6.111 -0.794 6.126 1.00 63.34 C ATOM 571 CD2 TRP A 41 5.368 0.227 4.288 1.00 70.11 C ATOM 572 NE1 TRP A 41 4.776 -0.508 6.286 1.00 5.21 N ATOM 573 CE2 TRP A 41 4.250 0.105 5.171 1.00 31.14 C ATOM 574 CE3 TRP A 41 5.125 0.777 3.015 1.00 63.32 C ATOM 575 CZ2 TRP A 41 2.952 0.520 4.819 1.00 3.10 C ATOM 576 CZ3 TRP A 41 3.843 1.217 2.664 1.00 70.11 C ATOM 577 CH2 TRP A 41 2.766 1.113 3.562 1.00 45.12 C ATOM 0 H TRP A 41 8.228 -2.547 5.325 1.00 45.24 H new ATOM 0 HA TRP A 41 10.038 -0.294 5.039 1.00 44.12 H new ATOM 0 HB2 TRP A 41 8.171 0.708 4.069 1.00 64.52 H new ATOM 0 HB3 TRP A 41 8.026 -0.976 3.604 1.00 64.52 H new ATOM 0 HD1 TRP A 41 6.719 -1.330 6.840 1.00 63.34 H new ATOM 0 HE1 TRP A 41 4.241 -0.723 7.127 1.00 5.21 H new ATOM 0 HE3 TRP A 41 5.934 0.860 2.304 1.00 63.32 H new ATOM 0 HZ2 TRP A 41 2.123 0.386 5.498 1.00 3.10 H new ATOM 0 HZ3 TRP A 41 3.678 1.644 1.686 1.00 70.11 H new ATOM 0 HH2 TRP A 41 1.793 1.491 3.283 1.00 45.12 H new ATOM 587 N GLY A 42 9.319 -0.652 7.875 1.00 63.32 N ATOM 588 CA GLY A 42 9.129 -0.233 9.250 1.00 34.23 C ATOM 589 C GLY A 42 7.736 0.336 9.416 1.00 4.20 C ATOM 590 O GLY A 42 6.767 -0.339 9.101 1.00 50.31 O ATOM 0 H GLY A 42 9.760 -1.569 7.807 1.00 63.32 H new ATOM 0 HA2 GLY A 42 9.270 -1.079 9.922 1.00 34.23 H new ATOM 0 HA3 GLY A 42 9.874 0.516 9.520 1.00 34.23 H new ATOM 594 N THR A 43 7.650 1.588 9.867 1.00 71.44 N ATOM 595 CA THR A 43 6.364 2.205 10.257 1.00 24.55 C ATOM 596 C THR A 43 6.451 3.681 10.689 1.00 25.44 C ATOM 597 O THR A 43 5.585 4.166 11.428 1.00 50.43 O ATOM 598 CB THR A 43 5.632 1.334 11.316 1.00 12.22 C ATOM 599 OG1 THR A 43 4.311 1.786 11.522 1.00 71.11 O ATOM 600 CG2 THR A 43 6.367 1.320 12.651 1.00 53.22 C ATOM 0 H THR A 43 8.456 2.204 9.975 1.00 71.44 H new ATOM 0 HA THR A 43 5.769 2.230 9.344 1.00 24.55 H new ATOM 0 HB THR A 43 5.612 0.319 10.919 1.00 12.22 H new ATOM 0 HG1 THR A 43 4.300 2.766 11.545 1.00 71.11 H new ATOM 0 HG21 THR A 43 5.820 0.699 13.361 1.00 53.22 H new ATOM 0 HG22 THR A 43 7.369 0.914 12.511 1.00 53.22 H new ATOM 0 HG23 THR A 43 6.438 2.337 13.038 1.00 53.22 H new ATOM 608 N GLY A 44 7.469 4.419 10.258 1.00 5.35 N ATOM 609 CA GLY A 44 7.541 5.832 10.626 1.00 64.24 C ATOM 610 C GLY A 44 8.549 6.583 9.796 1.00 74.24 C ATOM 611 O GLY A 44 9.582 7.021 10.305 1.00 11.22 O ATOM 0 H GLY A 44 8.233 4.079 9.673 1.00 5.35 H new ATOM 0 HA2 GLY A 44 6.559 6.289 10.503 1.00 64.24 H new ATOM 0 HA3 GLY A 44 7.803 5.919 11.680 1.00 64.24 H new ATOM 615 N ALA A 45 8.239 6.681 8.505 1.00 61.12 N ATOM 616 CA ALA A 45 9.143 7.037 7.426 1.00 51.10 C ATOM 617 C ALA A 45 10.275 6.030 7.402 1.00 10.41 C ATOM 618 O ALA A 45 10.232 5.136 6.558 1.00 44.12 O ATOM 619 CB ALA A 45 9.603 8.498 7.506 1.00 43.24 C ATOM 0 H ALA A 45 7.292 6.502 8.170 1.00 61.12 H new ATOM 0 HA ALA A 45 8.622 6.985 6.470 1.00 51.10 H new ATOM 0 HB1 ALA A 45 10.277 8.713 6.677 1.00 43.24 H new ATOM 0 HB2 ALA A 45 8.736 9.156 7.449 1.00 43.24 H new ATOM 0 HB3 ALA A 45 10.123 8.664 8.449 1.00 43.24 H new ATOM 625 N GLU A 46 11.208 6.128 8.338 1.00 62.40 N ATOM 626 CA GLU A 46 12.591 5.688 8.313 1.00 22.52 C ATOM 627 C GLU A 46 12.691 4.286 7.701 1.00 10.14 C ATOM 628 O GLU A 46 13.407 4.117 6.719 1.00 71.53 O ATOM 629 CB GLU A 46 13.080 5.769 9.776 1.00 23.31 C ATOM 630 CG GLU A 46 14.536 6.219 9.941 1.00 72.44 C ATOM 631 CD GLU A 46 15.331 5.214 10.764 1.00 65.43 C ATOM 632 OE1 GLU A 46 15.766 4.200 10.174 1.00 30.54 O ATOM 633 OE2 GLU A 46 15.524 5.422 11.986 1.00 30.44 O ATOM 0 H GLU A 46 10.987 6.567 9.232 1.00 62.40 H new ATOM 0 HA GLU A 46 13.227 6.311 7.684 1.00 22.52 H new ATOM 0 HB2 GLU A 46 12.437 6.459 10.322 1.00 23.31 H new ATOM 0 HB3 GLU A 46 12.962 4.789 10.239 1.00 23.31 H new ATOM 0 HG2 GLU A 46 14.997 6.336 8.960 1.00 72.44 H new ATOM 0 HG3 GLU A 46 14.566 7.195 10.426 1.00 72.44 H new ATOM 638 N GLY A 47 11.803 3.374 8.114 1.00 30.24 N ATOM 639 CA GLY A 47 11.647 2.037 7.553 1.00 24.55 C ATOM 640 C GLY A 47 11.668 1.989 6.015 1.00 54.10 C ATOM 641 O GLY A 47 12.527 1.363 5.400 1.00 72.35 O ATOM 0 H GLY A 47 11.152 3.559 8.877 1.00 30.24 H new ATOM 0 HA2 GLY A 47 12.444 1.400 7.936 1.00 24.55 H new ATOM 0 HA3 GLY A 47 10.705 1.616 7.905 1.00 24.55 H new ATOM 645 N ALA A 48 10.698 2.660 5.384 1.00 23.53 N ATOM 646 CA ALA A 48 10.515 2.692 3.938 1.00 34.14 C ATOM 647 C ALA A 48 11.649 3.439 3.241 1.00 74.13 C ATOM 648 O ALA A 48 11.822 3.248 2.042 1.00 52.10 O ATOM 649 CB ALA A 48 9.171 3.347 3.560 1.00 52.22 C ATOM 0 H ALA A 48 10.001 3.210 5.885 1.00 23.53 H new ATOM 0 HA ALA A 48 10.519 1.655 3.601 1.00 34.14 H new ATOM 0 HB1 ALA A 48 9.063 3.356 2.475 1.00 52.22 H new ATOM 0 HB2 ALA A 48 8.352 2.778 4.001 1.00 52.22 H new ATOM 0 HB3 ALA A 48 9.146 4.370 3.936 1.00 52.22 H new ATOM 655 N ARG A 49 12.392 4.307 3.941 1.00 64.20 N ATOM 656 CA ARG A 49 13.575 4.932 3.355 1.00 70.20 C ATOM 657 C ARG A 49 14.720 3.926 3.253 1.00 3.12 C ATOM 658 O ARG A 49 15.412 3.924 2.239 1.00 72.12 O ATOM 659 CB ARG A 49 13.954 6.194 4.153 1.00 62.34 C ATOM 660 CG ARG A 49 15.068 7.034 3.503 1.00 61.22 C ATOM 661 CD ARG A 49 16.461 6.639 4.005 1.00 22.21 C ATOM 662 NE ARG A 49 17.506 7.539 3.495 1.00 53.21 N ATOM 663 CZ ARG A 49 17.855 8.726 4.002 1.00 24.45 C ATOM 664 NH1 ARG A 49 17.189 9.243 5.032 1.00 23.45 N ATOM 665 NH2 ARG A 49 18.861 9.399 3.469 1.00 71.31 N ATOM 0 H ARG A 49 12.195 4.587 4.902 1.00 64.20 H new ATOM 0 HA ARG A 49 13.353 5.251 2.337 1.00 70.20 H new ATOM 0 HB2 ARG A 49 13.067 6.816 4.273 1.00 62.34 H new ATOM 0 HB3 ARG A 49 14.273 5.898 5.152 1.00 62.34 H new ATOM 0 HG2 ARG A 49 15.026 6.913 2.420 1.00 61.22 H new ATOM 0 HG3 ARG A 49 14.894 8.089 3.713 1.00 61.22 H new ATOM 0 HD2 ARG A 49 16.471 6.653 5.095 1.00 22.21 H new ATOM 0 HD3 ARG A 49 16.681 5.617 3.697 1.00 22.21 H new ATOM 0 HE ARG A 49 18.017 7.226 2.670 1.00 53.21 H new ATOM 0 HH11 ARG A 49 16.406 8.733 5.441 1.00 23.45 H new ATOM 0 HH12 ARG A 49 17.462 10.149 5.413 1.00 23.45 H new ATOM 0 HH21 ARG A 49 19.368 9.012 2.673 1.00 71.31 H new ATOM 0 HH22 ARG A 49 19.129 10.305 3.854 1.00 71.31 H new ATOM 676 N GLN A 50 14.958 3.081 4.260 1.00 72.12 N ATOM 677 CA GLN A 50 16.136 2.214 4.224 1.00 63.34 C ATOM 678 C GLN A 50 15.941 0.985 3.329 1.00 12.44 C ATOM 679 O GLN A 50 16.922 0.313 3.019 1.00 30.13 O ATOM 680 CB GLN A 50 16.574 1.729 5.606 1.00 62.31 C ATOM 681 CG GLN A 50 16.496 2.703 6.781 1.00 13.15 C ATOM 682 CD GLN A 50 17.207 4.048 6.653 1.00 12.15 C ATOM 683 OE1 GLN A 50 17.885 4.378 5.683 1.00 45.21 O ATOM 684 NE2 GLN A 50 17.057 4.879 7.666 1.00 13.03 N ATOM 0 H GLN A 50 14.369 2.980 5.087 1.00 72.12 H new ATOM 0 HA GLN A 50 16.917 2.850 3.807 1.00 63.34 H new ATOM 0 HB2 GLN A 50 15.970 0.857 5.858 1.00 62.31 H new ATOM 0 HB3 GLN A 50 17.606 1.389 5.526 1.00 62.31 H new ATOM 0 HG2 GLN A 50 15.443 2.901 6.980 1.00 13.15 H new ATOM 0 HG3 GLN A 50 16.896 2.197 7.660 1.00 13.15 H new ATOM 0 HE21 GLN A 50 16.494 4.605 8.471 1.00 13.03 H new ATOM 0 HE22 GLN A 50 17.504 5.796 7.644 1.00 13.03 H new ATOM 691 N ARG A 51 14.705 0.644 2.934 1.00 43.34 N ATOM 692 CA ARG A 51 14.435 -0.563 2.133 1.00 12.43 C ATOM 693 C ARG A 51 14.111 -0.262 0.663 1.00 70.24 C ATOM 694 O ARG A 51 13.561 -1.117 -0.020 1.00 11.03 O ATOM 695 CB ARG A 51 13.407 -1.466 2.871 1.00 22.54 C ATOM 696 CG ARG A 51 14.046 -2.273 4.023 1.00 42.21 C ATOM 697 CD ARG A 51 15.016 -3.356 3.520 1.00 3.24 C ATOM 698 NE ARG A 51 15.666 -4.102 4.610 1.00 41.03 N ATOM 699 CZ ARG A 51 15.440 -5.371 4.963 1.00 62.54 C ATOM 700 NH1 ARG A 51 14.360 -6.022 4.554 1.00 42.04 N ATOM 701 NH2 ARG A 51 16.309 -6.000 5.737 1.00 44.05 N ATOM 0 H ARG A 51 13.872 1.189 3.157 1.00 43.34 H new ATOM 0 HA ARG A 51 15.355 -1.143 2.052 1.00 12.43 H new ATOM 0 HB2 ARG A 51 12.604 -0.846 3.269 1.00 22.54 H new ATOM 0 HB3 ARG A 51 12.955 -2.154 2.157 1.00 22.54 H new ATOM 0 HG2 ARG A 51 14.580 -1.592 4.686 1.00 42.21 H new ATOM 0 HG3 ARG A 51 13.259 -2.742 4.614 1.00 42.21 H new ATOM 0 HD2 ARG A 51 14.473 -4.054 2.884 1.00 3.24 H new ATOM 0 HD3 ARG A 51 15.782 -2.890 2.900 1.00 3.24 H new ATOM 0 HE ARG A 51 16.364 -3.596 5.155 1.00 41.03 H new ATOM 0 HH11 ARG A 51 13.679 -5.555 3.956 1.00 42.04 H new ATOM 0 HH12 ARG A 51 14.210 -6.990 4.837 1.00 42.04 H new ATOM 0 HH21 ARG A 51 17.146 -5.516 6.061 1.00 44.05 H new ATOM 0 HH22 ARG A 51 16.142 -6.969 6.010 1.00 44.05 H new ATOM 712 N LEU A 52 14.447 0.923 0.142 1.00 11.30 N ATOM 713 CA LEU A 52 13.950 1.418 -1.147 1.00 13.20 C ATOM 714 C LEU A 52 15.062 1.577 -2.173 1.00 23.30 C ATOM 715 O LEU A 52 15.067 0.892 -3.199 1.00 5.32 O ATOM 716 CB LEU A 52 13.168 2.710 -0.874 1.00 14.32 C ATOM 717 CG LEU A 52 12.947 3.719 -2.021 1.00 41.41 C ATOM 718 CD1 LEU A 52 12.553 3.131 -3.381 1.00 54.20 C ATOM 719 CD2 LEU A 52 11.858 4.695 -1.566 1.00 72.10 C ATOM 0 H LEU A 52 15.079 1.573 0.609 1.00 11.30 H new ATOM 0 HA LEU A 52 13.280 0.689 -1.604 1.00 13.20 H new ATOM 0 HB2 LEU A 52 12.186 2.424 -0.496 1.00 14.32 H new ATOM 0 HB3 LEU A 52 13.679 3.237 -0.068 1.00 14.32 H new ATOM 0 HG LEU A 52 13.914 4.188 -2.201 1.00 41.41 H new ATOM 0 HD11 LEU A 52 12.426 3.938 -4.103 1.00 54.20 H new ATOM 0 HD12 LEU A 52 13.335 2.455 -3.726 1.00 54.20 H new ATOM 0 HD13 LEU A 52 11.617 2.582 -3.283 1.00 54.20 H new ATOM 0 HD21 LEU A 52 11.673 5.426 -2.353 1.00 72.10 H new ATOM 0 HD22 LEU A 52 10.940 4.145 -1.359 1.00 72.10 H new ATOM 0 HD23 LEU A 52 12.185 5.209 -0.662 1.00 72.10 H new ATOM 730 N GLU A 53 16.004 2.488 -1.941 1.00 31.55 N ATOM 731 CA GLU A 53 17.035 2.823 -2.927 1.00 70.30 C ATOM 732 C GLU A 53 17.991 1.643 -3.149 1.00 44.41 C ATOM 733 O GLU A 53 18.752 1.655 -4.120 1.00 10.02 O ATOM 734 CB GLU A 53 17.790 4.129 -2.577 1.00 61.52 C ATOM 735 CG GLU A 53 16.963 5.125 -1.744 1.00 33.54 C ATOM 736 CD GLU A 53 17.390 6.595 -1.815 1.00 31.13 C ATOM 737 OE1 GLU A 53 18.469 6.922 -2.346 1.00 13.22 O ATOM 738 OE2 GLU A 53 16.556 7.441 -1.403 1.00 5.12 O ATOM 0 H GLU A 53 16.077 3.014 -1.070 1.00 31.55 H new ATOM 0 HA GLU A 53 16.526 3.016 -3.871 1.00 70.30 H new ATOM 0 HB2 GLU A 53 18.697 3.876 -2.028 1.00 61.52 H new ATOM 0 HB3 GLU A 53 18.102 4.615 -3.501 1.00 61.52 H new ATOM 0 HG2 GLU A 53 15.923 5.056 -2.063 1.00 33.54 H new ATOM 0 HG3 GLU A 53 16.998 4.809 -0.701 1.00 33.54 H new ATOM 743 N ASN A 54 17.902 0.617 -2.297 1.00 32.44 N ATOM 744 CA ASN A 54 18.661 -0.621 -2.288 1.00 5.13 C ATOM 745 C ASN A 54 17.701 -1.821 -2.294 1.00 21.40 C ATOM 746 O ASN A 54 17.739 -2.680 -1.406 1.00 52.23 O ATOM 747 CB ASN A 54 19.661 -0.631 -1.107 1.00 34.22 C ATOM 748 CG ASN A 54 19.063 -0.256 0.253 1.00 62.43 C ATOM 749 OD1 ASN A 54 19.696 0.410 1.059 1.00 62.34 O ATOM 750 ND2 ASN A 54 17.834 -0.637 0.561 1.00 34.31 N ATOM 0 H ASN A 54 17.232 0.642 -1.528 1.00 32.44 H new ATOM 0 HA ASN A 54 19.263 -0.699 -3.193 1.00 5.13 H new ATOM 0 HB2 ASN A 54 20.101 -1.626 -1.032 1.00 34.22 H new ATOM 0 HB3 ASN A 54 20.473 0.060 -1.333 1.00 34.22 H new ATOM 0 HD21 ASN A 54 17.429 -0.374 1.459 1.00 34.31 H new ATOM 0 HD22 ASN A 54 17.292 -1.193 -0.100 1.00 34.31 H new ATOM 756 N ILE A 55 16.778 -1.870 -3.260 1.00 10.10 N ATOM 757 CA ILE A 55 15.927 -3.048 -3.461 1.00 2.10 C ATOM 758 C ILE A 55 16.748 -4.145 -4.166 1.00 71.22 C ATOM 759 O ILE A 55 17.774 -3.852 -4.788 1.00 42.33 O ATOM 760 CB ILE A 55 14.637 -2.660 -4.232 1.00 43.24 C ATOM 761 CG1 ILE A 55 13.461 -3.620 -3.950 1.00 65.32 C ATOM 762 CG2 ILE A 55 14.877 -2.579 -5.744 1.00 74.25 C ATOM 763 CD1 ILE A 55 12.780 -3.326 -2.611 1.00 23.32 C ATOM 0 H ILE A 55 16.601 -1.108 -3.915 1.00 10.10 H new ATOM 0 HA ILE A 55 15.597 -3.448 -2.502 1.00 2.10 H new ATOM 0 HB ILE A 55 14.364 -1.672 -3.862 1.00 43.24 H new ATOM 0 HG12 ILE A 55 12.728 -3.540 -4.753 1.00 65.32 H new ATOM 0 HG13 ILE A 55 13.825 -4.647 -3.952 1.00 65.32 H new ATOM 0 HG21 ILE A 55 13.949 -2.305 -6.246 1.00 74.25 H new ATOM 0 HG22 ILE A 55 15.638 -1.827 -5.952 1.00 74.25 H new ATOM 0 HG23 ILE A 55 15.215 -3.548 -6.111 1.00 74.25 H new ATOM 0 HD11 ILE A 55 11.960 -4.027 -2.458 1.00 23.32 H new ATOM 0 HD12 ILE A 55 13.504 -3.433 -1.803 1.00 23.32 H new ATOM 0 HD13 ILE A 55 12.391 -2.308 -2.617 1.00 23.32 H new ATOM 774 N GLN A 56 16.263 -5.387 -4.121 1.00 51.11 N ATOM 775 CA GLN A 56 16.778 -6.541 -4.847 1.00 5.01 C ATOM 776 C GLN A 56 15.607 -7.143 -5.639 1.00 14.12 C ATOM 777 O GLN A 56 14.458 -6.936 -5.251 1.00 25.44 O ATOM 778 CB GLN A 56 17.304 -7.597 -3.858 1.00 11.12 C ATOM 779 CG GLN A 56 18.052 -7.042 -2.652 1.00 21.32 C ATOM 780 CD GLN A 56 19.258 -6.185 -3.004 1.00 51.12 C ATOM 781 OE1 GLN A 56 20.030 -6.538 -3.891 1.00 34.31 O ATOM 782 NE2 GLN A 56 19.446 -5.059 -2.337 1.00 41.31 N ATOM 0 H GLN A 56 15.456 -5.624 -3.544 1.00 51.11 H new ATOM 0 HA GLN A 56 17.593 -6.240 -5.505 1.00 5.01 H new ATOM 0 HB2 GLN A 56 16.461 -8.189 -3.501 1.00 11.12 H new ATOM 0 HB3 GLN A 56 17.966 -8.276 -4.395 1.00 11.12 H new ATOM 0 HG2 GLN A 56 17.362 -6.448 -2.053 1.00 21.32 H new ATOM 0 HG3 GLN A 56 18.381 -7.874 -2.029 1.00 21.32 H new ATOM 0 HE21 GLN A 56 18.792 -4.785 -1.604 1.00 41.31 H new ATOM 0 HE22 GLN A 56 20.245 -4.464 -2.556 1.00 41.31 H new ATOM 789 N PRO A 57 15.847 -7.985 -6.646 1.00 64.42 N ATOM 790 CA PRO A 57 14.805 -8.749 -7.322 1.00 22.20 C ATOM 791 C PRO A 57 14.167 -9.755 -6.355 1.00 22.43 C ATOM 792 O PRO A 57 12.959 -9.981 -6.381 1.00 24.51 O ATOM 793 CB PRO A 57 15.518 -9.417 -8.501 1.00 32.13 C ATOM 794 CG PRO A 57 16.963 -9.558 -8.026 1.00 30.32 C ATOM 795 CD PRO A 57 17.160 -8.351 -7.112 1.00 43.15 C ATOM 0 HA PRO A 57 13.977 -8.134 -7.673 1.00 22.20 H new ATOM 0 HB2 PRO A 57 15.079 -10.386 -8.736 1.00 32.13 H new ATOM 0 HB3 PRO A 57 15.452 -8.810 -9.404 1.00 32.13 H new ATOM 0 HG2 PRO A 57 17.120 -10.495 -7.492 1.00 30.32 H new ATOM 0 HG3 PRO A 57 17.663 -9.546 -8.862 1.00 30.32 H new ATOM 0 HD2 PRO A 57 17.815 -8.597 -6.277 1.00 43.15 H new ATOM 0 HD3 PRO A 57 17.626 -7.526 -7.651 1.00 43.15 H new ATOM 800 N ALA A 58 14.941 -10.318 -5.424 1.00 62.35 N ATOM 801 CA ALA A 58 14.417 -11.236 -4.424 1.00 34.43 C ATOM 802 C ALA A 58 13.522 -10.527 -3.407 1.00 22.13 C ATOM 803 O ALA A 58 12.588 -11.136 -2.880 1.00 21.42 O ATOM 804 CB ALA A 58 15.581 -11.899 -3.713 1.00 24.21 C ATOM 0 H ALA A 58 15.944 -10.148 -5.347 1.00 62.35 H new ATOM 0 HA ALA A 58 13.803 -11.981 -4.930 1.00 34.43 H new ATOM 0 HB1 ALA A 58 15.202 -12.590 -2.960 1.00 24.21 H new ATOM 0 HB2 ALA A 58 16.185 -12.446 -4.436 1.00 24.21 H new ATOM 0 HB3 ALA A 58 16.194 -11.138 -3.230 1.00 24.21 H new ATOM 810 N ASP A 59 13.752 -9.230 -3.173 1.00 23.33 N ATOM 811 CA ASP A 59 12.883 -8.406 -2.335 1.00 52.21 C ATOM 812 C ASP A 59 11.550 -8.176 -3.048 1.00 30.11 C ATOM 813 O ASP A 59 10.581 -7.738 -2.421 1.00 65.55 O ATOM 814 CB ASP A 59 13.536 -7.049 -2.027 1.00 33.51 C ATOM 815 CG ASP A 59 14.560 -7.086 -0.905 1.00 32.52 C ATOM 816 OD1 ASP A 59 15.236 -8.117 -0.714 1.00 41.13 O ATOM 817 OD2 ASP A 59 14.702 -6.053 -0.212 1.00 44.14 O ATOM 0 H ASP A 59 14.548 -8.724 -3.561 1.00 23.33 H new ATOM 0 HA ASP A 59 12.718 -8.932 -1.395 1.00 52.21 H new ATOM 0 HB2 ASP A 59 14.019 -6.678 -2.931 1.00 33.51 H new ATOM 0 HB3 ASP A 59 12.755 -6.334 -1.767 1.00 33.51 H new ATOM 821 N VAL A 60 11.467 -8.523 -4.335 1.00 45.45 N ATOM 822 CA VAL A 60 10.286 -8.468 -5.182 1.00 54.31 C ATOM 823 C VAL A 60 9.693 -9.866 -5.435 1.00 24.30 C ATOM 824 O VAL A 60 8.552 -9.981 -5.884 1.00 32.14 O ATOM 825 CB VAL A 60 10.616 -7.639 -6.431 1.00 54.32 C ATOM 826 CG1 VAL A 60 9.395 -7.569 -7.340 1.00 1.22 C ATOM 827 CG2 VAL A 60 11.046 -6.246 -5.936 1.00 11.44 C ATOM 0 H VAL A 60 12.281 -8.872 -4.841 1.00 45.45 H new ATOM 0 HA VAL A 60 9.469 -7.951 -4.678 1.00 54.31 H new ATOM 0 HB VAL A 60 11.419 -8.086 -7.018 1.00 54.32 H new ATOM 0 HG11 VAL A 60 9.634 -6.980 -8.225 1.00 1.22 H new ATOM 0 HG12 VAL A 60 9.108 -8.576 -7.641 1.00 1.22 H new ATOM 0 HG13 VAL A 60 8.569 -7.101 -6.804 1.00 1.22 H new ATOM 0 HG21 VAL A 60 11.292 -5.616 -6.791 1.00 11.44 H new ATOM 0 HG22 VAL A 60 10.230 -5.792 -5.374 1.00 11.44 H new ATOM 0 HG23 VAL A 60 11.921 -6.342 -5.293 1.00 11.44 H new ATOM 837 N SER A 61 10.344 -10.926 -4.957 1.00 3.32 N ATOM 838 CA SER A 61 9.784 -12.267 -4.992 1.00 42.13 C ATOM 839 C SER A 61 9.136 -12.750 -3.691 1.00 13.14 C ATOM 840 O SER A 61 8.100 -13.410 -3.742 1.00 42.43 O ATOM 841 CB SER A 61 10.816 -13.195 -5.623 1.00 53.45 C ATOM 842 OG SER A 61 10.784 -13.007 -7.029 1.00 14.24 O ATOM 0 H SER A 61 11.272 -10.875 -4.537 1.00 3.32 H new ATOM 0 HA SER A 61 8.899 -12.265 -5.628 1.00 42.13 H new ATOM 0 HB2 SER A 61 11.811 -12.978 -5.233 1.00 53.45 H new ATOM 0 HB3 SER A 61 10.596 -14.233 -5.374 1.00 53.45 H new ATOM 0 HG SER A 61 11.443 -13.595 -7.453 1.00 14.24 H new ATOM 847 N MET A 62 9.641 -12.341 -2.542 1.00 61.21 N ATOM 848 CA MET A 62 9.269 -12.777 -1.203 1.00 63.52 C ATOM 849 C MET A 62 7.841 -12.381 -0.821 1.00 53.32 C ATOM 850 O MET A 62 7.147 -13.145 -0.172 1.00 50.13 O ATOM 851 CB MET A 62 10.297 -12.234 -0.203 1.00 23.53 C ATOM 852 CG MET A 62 10.233 -10.721 0.054 1.00 64.32 C ATOM 853 SD MET A 62 11.559 -10.059 1.097 1.00 41.22 S ATOM 854 CE MET A 62 11.341 -11.112 2.558 1.00 53.25 C ATOM 0 H MET A 62 10.381 -11.639 -2.516 1.00 61.21 H new ATOM 0 HA MET A 62 9.278 -13.867 -1.182 1.00 63.52 H new ATOM 0 HB2 MET A 62 10.163 -12.752 0.747 1.00 23.53 H new ATOM 0 HB3 MET A 62 11.295 -12.482 -0.564 1.00 23.53 H new ATOM 0 HG2 MET A 62 10.255 -10.204 -0.906 1.00 64.32 H new ATOM 0 HG3 MET A 62 9.275 -10.488 0.520 1.00 64.32 H new ATOM 0 HE1 MET A 62 11.884 -10.683 3.400 1.00 53.25 H new ATOM 0 HE2 MET A 62 10.281 -11.177 2.805 1.00 53.25 H new ATOM 0 HE3 MET A 62 11.727 -12.110 2.348 1.00 53.25 H new ATOM 862 N ILE A 63 7.363 -11.207 -1.215 1.00 14.32 N ATOM 863 CA ILE A 63 6.059 -10.658 -0.854 1.00 23.20 C ATOM 864 C ILE A 63 4.955 -11.542 -1.431 1.00 44.15 C ATOM 865 O ILE A 63 3.921 -11.736 -0.787 1.00 52.41 O ATOM 866 CB ILE A 63 5.987 -9.181 -1.309 1.00 44.23 C ATOM 867 CG1 ILE A 63 7.010 -8.332 -0.518 1.00 3.14 C ATOM 868 CG2 ILE A 63 4.579 -8.598 -1.133 1.00 63.54 C ATOM 869 CD1 ILE A 63 7.335 -6.982 -1.173 1.00 73.33 C ATOM 0 H ILE A 63 7.896 -10.583 -1.821 1.00 14.32 H new ATOM 0 HA ILE A 63 5.914 -10.658 0.226 1.00 23.20 H new ATOM 0 HB ILE A 63 6.229 -9.151 -2.371 1.00 44.23 H new ATOM 0 HG12 ILE A 63 6.622 -8.154 0.485 1.00 3.14 H new ATOM 0 HG13 ILE A 63 7.932 -8.902 -0.407 1.00 3.14 H new ATOM 0 HG21 ILE A 63 4.571 -7.559 -1.464 1.00 63.54 H new ATOM 0 HG22 ILE A 63 3.870 -9.174 -1.728 1.00 63.54 H new ATOM 0 HG23 ILE A 63 4.294 -8.646 -0.082 1.00 63.54 H new ATOM 0 HD11 ILE A 63 8.059 -6.445 -0.560 1.00 73.33 H new ATOM 0 HD12 ILE A 63 7.754 -7.150 -2.165 1.00 73.33 H new ATOM 0 HD13 ILE A 63 6.423 -6.391 -1.260 1.00 73.33 H new ATOM 880 N LYS A 64 5.187 -12.141 -2.604 1.00 45.41 N ATOM 881 CA LYS A 64 4.255 -13.105 -3.177 1.00 42.03 C ATOM 882 C LYS A 64 4.080 -14.293 -2.242 1.00 71.12 C ATOM 883 O LYS A 64 2.952 -14.742 -2.048 1.00 24.44 O ATOM 884 CB LYS A 64 4.721 -13.537 -4.574 1.00 14.03 C ATOM 885 CG LYS A 64 4.731 -12.364 -5.566 1.00 73.21 C ATOM 886 CD LYS A 64 6.118 -12.026 -6.125 1.00 54.01 C ATOM 887 CE LYS A 64 6.637 -13.090 -7.103 1.00 42.12 C ATOM 888 NZ LYS A 64 7.809 -12.646 -7.901 1.00 25.44 N ATOM 0 H LYS A 64 6.016 -11.971 -3.173 1.00 45.41 H new ATOM 0 HA LYS A 64 3.279 -12.632 -3.291 1.00 42.03 H new ATOM 0 HB2 LYS A 64 5.722 -13.963 -4.507 1.00 14.03 H new ATOM 0 HB3 LYS A 64 4.065 -14.323 -4.948 1.00 14.03 H new ATOM 0 HG2 LYS A 64 4.064 -12.599 -6.396 1.00 73.21 H new ATOM 0 HG3 LYS A 64 4.326 -11.481 -5.072 1.00 73.21 H new ATOM 0 HD2 LYS A 64 6.076 -11.062 -6.632 1.00 54.01 H new ATOM 0 HD3 LYS A 64 6.823 -11.922 -5.300 1.00 54.01 H new ATOM 0 HE2 LYS A 64 6.908 -13.985 -6.543 1.00 42.12 H new ATOM 0 HE3 LYS A 64 5.832 -13.371 -7.782 1.00 42.12 H new ATOM 0 HZ1 LYS A 64 7.689 -12.944 -8.890 1.00 25.44 H new ATOM 0 HZ2 LYS A 64 7.885 -11.610 -7.859 1.00 25.44 H new ATOM 0 HZ3 LYS A 64 8.675 -13.073 -7.514 1.00 25.44 H new ATOM 898 N LYS A 65 5.160 -14.754 -1.603 1.00 45.22 N ATOM 899 CA LYS A 65 5.128 -15.893 -0.694 1.00 45.32 C ATOM 900 C LYS A 65 4.268 -15.613 0.541 1.00 54.32 C ATOM 901 O LYS A 65 3.796 -16.548 1.185 1.00 4.44 O ATOM 902 CB LYS A 65 6.556 -16.316 -0.288 1.00 64.35 C ATOM 903 CG LYS A 65 7.284 -17.137 -1.359 1.00 21.23 C ATOM 904 CD LYS A 65 7.792 -16.283 -2.527 1.00 70.24 C ATOM 905 CE LYS A 65 7.018 -16.542 -3.824 1.00 14.02 C ATOM 906 NZ LYS A 65 7.554 -17.699 -4.564 1.00 50.35 N ATOM 0 H LYS A 65 6.087 -14.340 -1.706 1.00 45.22 H new ATOM 0 HA LYS A 65 4.665 -16.722 -1.230 1.00 45.32 H new ATOM 0 HB2 LYS A 65 7.141 -15.423 -0.067 1.00 64.35 H new ATOM 0 HB3 LYS A 65 6.505 -16.899 0.632 1.00 64.35 H new ATOM 0 HG2 LYS A 65 8.127 -17.655 -0.901 1.00 21.23 H new ATOM 0 HG3 LYS A 65 6.610 -17.903 -1.742 1.00 21.23 H new ATOM 0 HD2 LYS A 65 7.711 -15.228 -2.264 1.00 70.24 H new ATOM 0 HD3 LYS A 65 8.849 -16.490 -2.691 1.00 70.24 H new ATOM 0 HE2 LYS A 65 5.967 -16.715 -3.591 1.00 14.02 H new ATOM 0 HE3 LYS A 65 7.062 -15.655 -4.456 1.00 14.02 H new ATOM 0 HZ1 LYS A 65 7.003 -17.840 -5.435 1.00 50.35 H new ATOM 0 HZ2 LYS A 65 8.549 -17.523 -4.809 1.00 50.35 H new ATOM 0 HZ3 LYS A 65 7.489 -18.551 -3.971 1.00 50.35 H new ATOM 916 N GLN A 66 4.006 -14.348 0.870 1.00 5.11 N ATOM 917 CA GLN A 66 3.156 -14.003 1.999 1.00 63.15 C ATOM 918 C GLN A 66 1.667 -14.044 1.624 1.00 12.20 C ATOM 919 O GLN A 66 0.826 -14.102 2.523 1.00 22.44 O ATOM 920 CB GLN A 66 3.575 -12.643 2.575 1.00 53.13 C ATOM 921 CG GLN A 66 4.758 -12.743 3.556 1.00 50.15 C ATOM 922 CD GLN A 66 6.104 -13.039 2.917 1.00 74.22 C ATOM 923 OE1 GLN A 66 6.502 -14.194 2.794 1.00 45.14 O ATOM 924 NE2 GLN A 66 6.856 -12.013 2.554 1.00 32.23 N ATOM 0 H GLN A 66 4.375 -13.543 0.364 1.00 5.11 H new ATOM 0 HA GLN A 66 3.291 -14.754 2.778 1.00 63.15 H new ATOM 0 HB2 GLN A 66 3.845 -11.976 1.756 1.00 53.13 H new ATOM 0 HB3 GLN A 66 2.724 -12.193 3.086 1.00 53.13 H new ATOM 0 HG2 GLN A 66 4.833 -11.805 4.106 1.00 50.15 H new ATOM 0 HG3 GLN A 66 4.540 -13.524 4.285 1.00 50.15 H new ATOM 0 HE21 GLN A 66 6.507 -11.061 2.664 1.00 32.23 H new ATOM 0 HE22 GLN A 66 7.785 -12.174 2.164 1.00 32.23 H new ATOM 931 N GLY A 67 1.305 -14.082 0.337 1.00 52.43 N ATOM 932 CA GLY A 67 -0.085 -14.075 -0.108 1.00 41.02 C ATOM 933 C GLY A 67 -0.440 -12.819 -0.892 1.00 41.22 C ATOM 934 O GLY A 67 -1.508 -12.257 -0.643 1.00 22.54 O ATOM 0 H GLY A 67 1.978 -14.119 -0.429 1.00 52.43 H new ATOM 0 HA2 GLY A 67 -0.269 -14.951 -0.730 1.00 41.02 H new ATOM 0 HA3 GLY A 67 -0.741 -14.156 0.759 1.00 41.02 H new ATOM 938 N THR A 68 0.420 -12.360 -1.804 1.00 30.24 N ATOM 939 CA THR A 68 0.292 -11.055 -2.444 1.00 5.04 C ATOM 940 C THR A 68 0.366 -11.170 -3.966 1.00 30.12 C ATOM 941 O THR A 68 1.015 -12.072 -4.499 1.00 74.42 O ATOM 942 CB THR A 68 1.405 -10.132 -1.927 1.00 1.03 C ATOM 943 OG1 THR A 68 1.586 -10.270 -0.528 1.00 33.12 O ATOM 944 CG2 THR A 68 1.125 -8.661 -2.248 1.00 41.34 C ATOM 0 H THR A 68 1.231 -12.891 -2.120 1.00 30.24 H new ATOM 0 HA THR A 68 -0.683 -10.637 -2.194 1.00 5.04 H new ATOM 0 HB THR A 68 2.316 -10.438 -2.442 1.00 1.03 H new ATOM 0 HG1 THR A 68 2.391 -10.801 -0.353 1.00 33.12 H new ATOM 0 HG21 THR A 68 1.937 -8.044 -1.864 1.00 41.34 H new ATOM 0 HG22 THR A 68 1.050 -8.532 -3.328 1.00 41.34 H new ATOM 0 HG23 THR A 68 0.188 -8.359 -1.781 1.00 41.34 H new ATOM 952 N THR A 69 -0.224 -10.190 -4.651 1.00 71.55 N ATOM 953 CA THR A 69 -0.249 -10.084 -6.101 1.00 42.01 C ATOM 954 C THR A 69 0.152 -8.669 -6.535 1.00 41.01 C ATOM 955 O THR A 69 0.258 -7.764 -5.703 1.00 51.34 O ATOM 956 CB THR A 69 -1.636 -10.492 -6.625 1.00 51.45 C ATOM 957 OG1 THR A 69 -2.691 -10.275 -5.702 1.00 32.13 O ATOM 958 CG2 THR A 69 -1.647 -11.979 -6.935 1.00 5.42 C ATOM 0 H THR A 69 -0.714 -9.423 -4.190 1.00 71.55 H new ATOM 0 HA THR A 69 0.479 -10.767 -6.537 1.00 42.01 H new ATOM 0 HB THR A 69 -1.804 -9.867 -7.502 1.00 51.45 H new ATOM 0 HG1 THR A 69 -3.540 -10.555 -6.104 1.00 32.13 H new ATOM 0 HG21 THR A 69 -2.631 -12.266 -7.306 1.00 5.42 H new ATOM 0 HG22 THR A 69 -0.895 -12.198 -7.693 1.00 5.42 H new ATOM 0 HG23 THR A 69 -1.423 -12.541 -6.029 1.00 5.42 H new ATOM 966 N LEU A 70 0.383 -8.488 -7.837 1.00 41.45 N ATOM 967 CA LEU A 70 0.894 -7.261 -8.440 1.00 25.51 C ATOM 968 C LEU A 70 -0.026 -6.105 -8.134 1.00 14.23 C ATOM 969 O LEU A 70 0.388 -4.988 -7.819 1.00 50.03 O ATOM 970 CB LEU A 70 0.865 -7.447 -9.958 1.00 41.42 C ATOM 971 CG LEU A 70 1.633 -6.401 -10.772 1.00 43.52 C ATOM 972 CD1 LEU A 70 0.769 -5.581 -11.699 1.00 50.43 C ATOM 973 CD2 LEU A 70 2.686 -5.525 -10.078 1.00 10.32 C ATOM 0 H LEU A 70 0.212 -9.222 -8.524 1.00 41.45 H new ATOM 0 HA LEU A 70 1.894 -7.061 -8.055 1.00 25.51 H new ATOM 0 HB2 LEU A 70 1.270 -8.431 -10.192 1.00 41.42 H new ATOM 0 HB3 LEU A 70 -0.175 -7.444 -10.286 1.00 41.42 H new ATOM 0 HG LEU A 70 2.248 -7.084 -11.357 1.00 43.52 H new ATOM 0 HD11 LEU A 70 1.390 -4.865 -12.237 1.00 50.43 H new ATOM 0 HD12 LEU A 70 0.273 -6.240 -12.412 1.00 50.43 H new ATOM 0 HD13 LEU A 70 0.018 -5.045 -11.118 1.00 50.43 H new ATOM 0 HD21 LEU A 70 3.128 -4.843 -10.804 1.00 10.32 H new ATOM 0 HD22 LEU A 70 2.213 -4.950 -9.282 1.00 10.32 H new ATOM 0 HD23 LEU A 70 3.465 -6.159 -9.655 1.00 10.32 H new ATOM 984 N GLU A 71 -1.310 -6.401 -8.291 1.00 63.01 N ATOM 985 CA GLU A 71 -2.320 -5.388 -8.370 1.00 54.32 C ATOM 986 C GLU A 71 -2.497 -4.727 -7.000 1.00 54.33 C ATOM 987 O GLU A 71 -2.982 -3.602 -6.900 1.00 62.31 O ATOM 988 CB GLU A 71 -3.623 -6.071 -8.777 1.00 21.30 C ATOM 989 CG GLU A 71 -3.524 -6.588 -10.209 1.00 45.23 C ATOM 990 CD GLU A 71 -4.852 -7.192 -10.652 1.00 24.11 C ATOM 991 OE1 GLU A 71 -5.868 -6.461 -10.732 1.00 50.41 O ATOM 992 OE2 GLU A 71 -4.875 -8.419 -10.910 1.00 52.45 O ATOM 0 H GLU A 71 -1.667 -7.354 -8.366 1.00 63.01 H new ATOM 0 HA GLU A 71 -2.040 -4.622 -9.094 1.00 54.32 H new ATOM 0 HB2 GLU A 71 -3.836 -6.897 -8.099 1.00 21.30 H new ATOM 0 HB3 GLU A 71 -4.452 -5.368 -8.693 1.00 21.30 H new ATOM 0 HG2 GLU A 71 -3.247 -5.773 -10.878 1.00 45.23 H new ATOM 0 HG3 GLU A 71 -2.736 -7.338 -10.277 1.00 45.23 H new ATOM 997 N MET A 72 -2.107 -5.435 -5.939 1.00 32.32 N ATOM 998 CA MET A 72 -2.063 -4.922 -4.581 1.00 33.24 C ATOM 999 C MET A 72 -0.971 -3.855 -4.513 1.00 22.13 C ATOM 1000 O MET A 72 -1.220 -2.740 -4.070 1.00 2.11 O ATOM 1001 CB MET A 72 -1.828 -6.074 -3.575 1.00 71.22 C ATOM 1002 CG MET A 72 -3.103 -6.445 -2.810 1.00 33.40 C ATOM 1003 SD MET A 72 -4.141 -7.678 -3.634 1.00 3.43 S ATOM 1004 CE MET A 72 -3.416 -9.199 -2.967 1.00 33.22 C ATOM 0 H MET A 72 -1.806 -6.407 -6.009 1.00 32.32 H new ATOM 0 HA MET A 72 -3.015 -4.467 -4.307 1.00 33.24 H new ATOM 0 HB2 MET A 72 -1.459 -6.950 -4.108 1.00 71.22 H new ATOM 0 HB3 MET A 72 -1.053 -5.782 -2.866 1.00 71.22 H new ATOM 0 HG2 MET A 72 -2.824 -6.822 -1.826 1.00 33.40 H new ATOM 0 HG3 MET A 72 -3.691 -5.542 -2.650 1.00 33.40 H new ATOM 0 HE1 MET A 72 -3.817 -10.059 -3.504 1.00 33.22 H new ATOM 0 HE2 MET A 72 -2.333 -9.169 -3.087 1.00 33.22 H new ATOM 0 HE3 MET A 72 -3.661 -9.285 -1.909 1.00 33.22 H new ATOM 1012 N ILE A 73 0.242 -4.194 -4.945 1.00 24.20 N ATOM 1013 CA ILE A 73 1.417 -3.333 -4.882 1.00 24.31 C ATOM 1014 C ILE A 73 1.182 -2.041 -5.640 1.00 52.34 C ATOM 1015 O ILE A 73 1.456 -0.968 -5.108 1.00 25.54 O ATOM 1016 CB ILE A 73 2.648 -4.112 -5.399 1.00 33.54 C ATOM 1017 CG1 ILE A 73 2.826 -5.463 -4.669 1.00 44.04 C ATOM 1018 CG2 ILE A 73 3.935 -3.285 -5.311 1.00 53.02 C ATOM 1019 CD1 ILE A 73 2.802 -5.369 -3.136 1.00 24.40 C ATOM 0 H ILE A 73 0.438 -5.104 -5.361 1.00 24.20 H new ATOM 0 HA ILE A 73 1.611 -3.047 -3.848 1.00 24.31 H new ATOM 0 HB ILE A 73 2.455 -4.319 -6.452 1.00 33.54 H new ATOM 0 HG12 ILE A 73 2.036 -6.142 -4.991 1.00 44.04 H new ATOM 0 HG13 ILE A 73 3.773 -5.906 -4.978 1.00 44.04 H new ATOM 0 HG21 ILE A 73 4.772 -3.874 -5.685 1.00 53.02 H new ATOM 0 HG22 ILE A 73 3.829 -2.382 -5.912 1.00 53.02 H new ATOM 0 HG23 ILE A 73 4.120 -3.010 -4.273 1.00 53.02 H new ATOM 0 HD11 ILE A 73 2.934 -6.363 -2.708 1.00 24.40 H new ATOM 0 HD12 ILE A 73 3.609 -4.719 -2.799 1.00 24.40 H new ATOM 0 HD13 ILE A 73 1.846 -4.958 -2.812 1.00 24.40 H new ATOM 1030 N THR A 74 0.676 -2.142 -6.862 1.00 42.03 N ATOM 1031 CA THR A 74 0.391 -0.972 -7.670 1.00 24.20 C ATOM 1032 C THR A 74 -0.690 -0.102 -7.016 1.00 13.03 C ATOM 1033 O THR A 74 -0.521 1.112 -6.934 1.00 12.30 O ATOM 1034 CB THR A 74 0.046 -1.400 -9.104 1.00 2.30 C ATOM 1035 OG1 THR A 74 -0.738 -2.582 -9.131 1.00 11.44 O ATOM 1036 CG2 THR A 74 1.300 -1.701 -9.931 1.00 53.14 C ATOM 0 H THR A 74 0.455 -3.029 -7.314 1.00 42.03 H new ATOM 0 HA THR A 74 1.280 -0.344 -7.730 1.00 24.20 H new ATOM 0 HB THR A 74 -0.504 -0.558 -9.524 1.00 2.30 H new ATOM 0 HG1 THR A 74 -0.938 -2.821 -10.060 1.00 11.44 H new ATOM 0 HG21 THR A 74 1.009 -2.000 -10.938 1.00 53.14 H new ATOM 0 HG22 THR A 74 1.924 -0.809 -9.983 1.00 53.14 H new ATOM 0 HG23 THR A 74 1.861 -2.509 -9.461 1.00 53.14 H new ATOM 1044 N ALA A 75 -1.757 -0.690 -6.462 1.00 52.25 N ATOM 1045 CA ALA A 75 -2.829 0.114 -5.873 1.00 13.42 C ATOM 1046 C ALA A 75 -2.349 0.847 -4.615 1.00 43.32 C ATOM 1047 O ALA A 75 -2.772 1.974 -4.352 1.00 32.21 O ATOM 1048 CB ALA A 75 -4.044 -0.759 -5.560 1.00 74.41 C ATOM 0 H ALA A 75 -1.899 -1.699 -6.410 1.00 52.25 H new ATOM 0 HA ALA A 75 -3.123 0.867 -6.604 1.00 13.42 H new ATOM 0 HB1 ALA A 75 -4.831 -0.144 -5.123 1.00 74.41 H new ATOM 0 HB2 ALA A 75 -4.410 -1.217 -6.479 1.00 74.41 H new ATOM 0 HB3 ALA A 75 -3.759 -1.540 -4.854 1.00 74.41 H new ATOM 1054 N TRP A 76 -1.458 0.212 -3.852 1.00 30.30 N ATOM 1055 CA TRP A 76 -0.848 0.758 -2.649 1.00 31.41 C ATOM 1056 C TRP A 76 0.313 1.703 -2.925 1.00 61.33 C ATOM 1057 O TRP A 76 0.725 2.416 -2.007 1.00 25.34 O ATOM 1058 CB TRP A 76 -0.353 -0.403 -1.787 1.00 61.21 C ATOM 1059 CG TRP A 76 -1.395 -0.910 -0.856 1.00 21.40 C ATOM 1060 CD1 TRP A 76 -2.058 -2.074 -0.992 1.00 63.35 C ATOM 1061 CD2 TRP A 76 -1.997 -0.232 0.288 1.00 70.44 C ATOM 1062 NE1 TRP A 76 -3.024 -2.170 -0.020 1.00 24.31 N ATOM 1063 CE2 TRP A 76 -3.006 -1.085 0.822 1.00 2.13 C ATOM 1064 CE3 TRP A 76 -1.839 1.037 0.893 1.00 54.34 C ATOM 1065 CZ2 TRP A 76 -3.792 -0.714 1.919 1.00 1.42 C ATOM 1066 CZ3 TRP A 76 -2.627 1.427 1.995 1.00 71.34 C ATOM 1067 CH2 TRP A 76 -3.594 0.542 2.510 1.00 13.31 C ATOM 0 H TRP A 76 -1.133 -0.731 -4.067 1.00 30.30 H new ATOM 0 HA TRP A 76 -1.612 1.346 -2.141 1.00 31.41 H new ATOM 0 HB2 TRP A 76 -0.023 -1.216 -2.434 1.00 61.21 H new ATOM 0 HB3 TRP A 76 0.515 -0.080 -1.213 1.00 61.21 H new ATOM 0 HD1 TRP A 76 -1.861 -2.818 -1.749 1.00 63.35 H new ATOM 0 HE1 TRP A 76 -3.675 -2.951 0.066 1.00 24.31 H new ATOM 0 HE3 TRP A 76 -1.100 1.721 0.503 1.00 54.34 H new ATOM 0 HZ2 TRP A 76 -4.542 -1.387 2.306 1.00 1.42 H new ATOM 0 HZ3 TRP A 76 -2.490 2.400 2.442 1.00 71.34 H new ATOM 0 HH2 TRP A 76 -4.186 0.832 3.365 1.00 13.31 H new ATOM 1077 N GLN A 77 0.866 1.684 -4.136 1.00 62.21 N ATOM 1078 CA GLN A 77 1.796 2.692 -4.598 1.00 3.35 C ATOM 1079 C GLN A 77 1.002 3.953 -4.909 1.00 32.14 C ATOM 1080 O GLN A 77 1.234 5.004 -4.306 1.00 72.24 O ATOM 1081 CB GLN A 77 2.544 2.168 -5.833 1.00 1.12 C ATOM 1082 CG GLN A 77 3.528 3.196 -6.380 1.00 4.15 C ATOM 1083 CD GLN A 77 3.160 3.783 -7.731 1.00 50.20 C ATOM 1084 OE1 GLN A 77 2.153 4.451 -7.892 1.00 4.01 O ATOM 1085 NE2 GLN A 77 3.955 3.547 -8.752 1.00 41.34 N ATOM 0 H GLN A 77 0.674 0.957 -4.826 1.00 62.21 H new ATOM 0 HA GLN A 77 2.543 2.923 -3.838 1.00 3.35 H new ATOM 0 HB2 GLN A 77 3.080 1.255 -5.573 1.00 1.12 H new ATOM 0 HB3 GLN A 77 1.825 1.905 -6.609 1.00 1.12 H new ATOM 0 HG2 GLN A 77 3.618 4.009 -5.660 1.00 4.15 H new ATOM 0 HG3 GLN A 77 4.510 2.730 -6.459 1.00 4.15 H new ATOM 0 HE21 GLN A 77 4.799 2.989 -8.623 1.00 41.34 H new ATOM 0 HE22 GLN A 77 3.728 3.922 -9.673 1.00 41.34 H new ATOM 1092 N ASP A 78 0.064 3.804 -5.841 1.00 61.32 N ATOM 1093 CA ASP A 78 -0.663 4.881 -6.496 1.00 5.34 C ATOM 1094 C ASP A 78 -1.393 5.759 -5.488 1.00 62.24 C ATOM 1095 O ASP A 78 -1.407 6.982 -5.615 1.00 71.20 O ATOM 1096 CB ASP A 78 -1.643 4.281 -7.497 1.00 70.34 C ATOM 1097 CG ASP A 78 -2.184 5.369 -8.413 1.00 54.13 C ATOM 1098 OD1 ASP A 78 -1.469 5.824 -9.338 1.00 5.35 O ATOM 1099 OD2 ASP A 78 -3.355 5.770 -8.234 1.00 73.13 O ATOM 0 H ASP A 78 -0.221 2.883 -6.174 1.00 61.32 H new ATOM 0 HA ASP A 78 0.050 5.519 -7.017 1.00 5.34 H new ATOM 0 HB2 ASP A 78 -1.146 3.511 -8.087 1.00 70.34 H new ATOM 0 HB3 ASP A 78 -2.465 3.797 -6.969 1.00 70.34 H new ATOM 1103 N PHE A 79 -1.915 5.121 -4.438 1.00 31.42 N ATOM 1104 CA PHE A 79 -2.572 5.767 -3.315 1.00 42.30 C ATOM 1105 C PHE A 79 -1.715 6.906 -2.757 1.00 63.40 C ATOM 1106 O PHE A 79 -2.202 8.019 -2.576 1.00 5.12 O ATOM 1107 CB PHE A 79 -2.868 4.710 -2.242 1.00 44.33 C ATOM 1108 CG PHE A 79 -3.568 5.265 -1.018 1.00 53.02 C ATOM 1109 CD1 PHE A 79 -4.916 5.664 -1.099 1.00 70.31 C ATOM 1110 CD2 PHE A 79 -2.872 5.405 0.197 1.00 44.44 C ATOM 1111 CE1 PHE A 79 -5.564 6.204 0.025 1.00 2.12 C ATOM 1112 CE2 PHE A 79 -3.516 5.950 1.320 1.00 2.32 C ATOM 1113 CZ PHE A 79 -4.860 6.350 1.233 1.00 53.31 C ATOM 0 H PHE A 79 -1.887 4.105 -4.350 1.00 31.42 H new ATOM 0 HA PHE A 79 -3.510 6.212 -3.647 1.00 42.30 H new ATOM 0 HB2 PHE A 79 -3.486 3.925 -2.678 1.00 44.33 H new ATOM 0 HB3 PHE A 79 -1.931 4.245 -1.935 1.00 44.33 H new ATOM 0 HD1 PHE A 79 -5.454 5.555 -2.029 1.00 70.31 H new ATOM 0 HD2 PHE A 79 -1.840 5.093 0.266 1.00 44.44 H new ATOM 0 HE1 PHE A 79 -6.599 6.506 -0.039 1.00 2.12 H new ATOM 0 HE2 PHE A 79 -2.978 6.062 2.250 1.00 2.32 H new ATOM 0 HZ PHE A 79 -5.354 6.771 2.097 1.00 53.31 H new ATOM 1122 N TYR A 80 -0.434 6.641 -2.483 1.00 31.35 N ATOM 1123 CA TYR A 80 0.470 7.663 -1.979 1.00 25.42 C ATOM 1124 C TYR A 80 0.993 8.542 -3.101 1.00 44.14 C ATOM 1125 O TYR A 80 1.338 9.689 -2.840 1.00 45.31 O ATOM 1126 CB TYR A 80 1.656 7.022 -1.244 1.00 22.55 C ATOM 1127 CG TYR A 80 1.295 6.327 0.052 1.00 30.42 C ATOM 1128 CD1 TYR A 80 0.416 6.933 0.972 1.00 23.52 C ATOM 1129 CD2 TYR A 80 1.816 5.048 0.314 1.00 51.31 C ATOM 1130 CE1 TYR A 80 0.000 6.249 2.125 1.00 30.41 C ATOM 1131 CE2 TYR A 80 1.371 4.335 1.444 1.00 74.52 C ATOM 1132 CZ TYR A 80 0.453 4.930 2.343 1.00 41.43 C ATOM 1133 OH TYR A 80 0.022 4.245 3.435 1.00 21.53 O ATOM 0 H TYR A 80 -0.005 5.724 -2.604 1.00 31.35 H new ATOM 0 HA TYR A 80 -0.097 8.283 -1.284 1.00 25.42 H new ATOM 0 HB2 TYR A 80 2.130 6.300 -1.908 1.00 22.55 H new ATOM 0 HB3 TYR A 80 2.396 7.794 -1.033 1.00 22.55 H new ATOM 0 HD1 TYR A 80 0.058 7.935 0.788 1.00 23.52 H new ATOM 0 HD2 TYR A 80 2.552 4.615 -0.347 1.00 51.31 H new ATOM 0 HE1 TYR A 80 -0.658 6.726 2.836 1.00 30.41 H new ATOM 0 HE2 TYR A 80 1.730 3.333 1.625 1.00 74.52 H new ATOM 0 HH TYR A 80 0.424 3.351 3.440 1.00 21.53 H new ATOM 1142 N GLU A 81 1.142 8.039 -4.322 1.00 34.25 N ATOM 1143 CA GLU A 81 1.734 8.804 -5.416 1.00 30.42 C ATOM 1144 C GLU A 81 0.899 9.994 -5.895 1.00 74.41 C ATOM 1145 O GLU A 81 1.487 10.914 -6.474 1.00 25.55 O ATOM 1146 CB GLU A 81 2.148 7.861 -6.555 1.00 52.14 C ATOM 1147 CG GLU A 81 3.500 7.206 -6.221 1.00 33.54 C ATOM 1148 CD GLU A 81 4.592 7.411 -7.271 1.00 71.44 C ATOM 1149 OE1 GLU A 81 4.650 8.537 -7.832 1.00 41.23 O ATOM 1150 OE2 GLU A 81 5.496 6.562 -7.417 1.00 4.32 O ATOM 0 H GLU A 81 0.858 7.094 -4.581 1.00 34.25 H new ATOM 0 HA GLU A 81 2.630 9.278 -5.014 1.00 30.42 H new ATOM 0 HB2 GLU A 81 1.387 7.094 -6.700 1.00 52.14 H new ATOM 0 HB3 GLU A 81 2.223 8.416 -7.490 1.00 52.14 H new ATOM 0 HG2 GLU A 81 3.853 7.601 -5.269 1.00 33.54 H new ATOM 0 HG3 GLU A 81 3.345 6.136 -6.084 1.00 33.54 H new ATOM 1155 N GLN A 82 -0.398 10.074 -5.572 1.00 41.30 N ATOM 1156 CA GLN A 82 -1.118 11.348 -5.663 1.00 24.31 C ATOM 1157 C GLN A 82 -0.794 12.292 -4.499 1.00 25.12 C ATOM 1158 O GLN A 82 -0.817 13.508 -4.692 1.00 22.14 O ATOM 1159 CB GLN A 82 -2.639 11.139 -5.721 1.00 72.52 C ATOM 1160 CG GLN A 82 -3.132 10.777 -7.131 1.00 72.52 C ATOM 1161 CD GLN A 82 -3.528 9.312 -7.240 1.00 23.01 C ATOM 1162 OE1 GLN A 82 -4.609 8.927 -6.801 1.00 5.24 O ATOM 1163 NE2 GLN A 82 -2.703 8.477 -7.835 1.00 21.25 N ATOM 0 H GLN A 82 -0.961 9.286 -5.251 1.00 41.30 H new ATOM 0 HA GLN A 82 -0.778 11.809 -6.590 1.00 24.31 H new ATOM 0 HB2 GLN A 82 -2.920 10.347 -5.027 1.00 72.52 H new ATOM 0 HB3 GLN A 82 -3.140 12.048 -5.387 1.00 72.52 H new ATOM 0 HG2 GLN A 82 -3.986 11.403 -7.388 1.00 72.52 H new ATOM 0 HG3 GLN A 82 -2.348 10.995 -7.856 1.00 72.52 H new ATOM 0 HE21 GLN A 82 -1.809 8.812 -8.194 1.00 21.25 H new ATOM 0 HE22 GLN A 82 -2.957 7.495 -7.937 1.00 21.25 H new ATOM 1170 N GLU A 83 -0.497 11.777 -3.303 1.00 50.14 N ATOM 1171 CA GLU A 83 -0.341 12.591 -2.102 1.00 21.41 C ATOM 1172 C GLU A 83 0.879 13.487 -2.230 1.00 71.40 C ATOM 1173 O GLU A 83 0.891 14.599 -1.707 1.00 34.52 O ATOM 1174 CB GLU A 83 -0.182 11.730 -0.838 1.00 3.43 C ATOM 1175 CG GLU A 83 -1.326 10.754 -0.588 1.00 13.15 C ATOM 1176 CD GLU A 83 -2.571 11.496 -0.095 1.00 12.03 C ATOM 1177 OE1 GLU A 83 -3.213 12.273 -0.845 1.00 52.13 O ATOM 1178 OE2 GLU A 83 -2.835 11.426 1.128 1.00 74.33 O ATOM 0 H GLU A 83 -0.358 10.779 -3.143 1.00 50.14 H new ATOM 0 HA GLU A 83 -1.247 13.189 -2.005 1.00 21.41 H new ATOM 0 HB2 GLU A 83 0.749 11.167 -0.912 1.00 3.43 H new ATOM 0 HB3 GLU A 83 -0.088 12.389 0.025 1.00 3.43 H new ATOM 0 HG2 GLU A 83 -1.558 10.214 -1.506 1.00 13.15 H new ATOM 0 HG3 GLU A 83 -1.023 10.012 0.150 1.00 13.15 H new ATOM 1183 N GLN A 84 1.900 13.039 -2.958 1.00 63.10 N ATOM 1184 CA GLN A 84 3.151 13.768 -3.074 1.00 43.23 C ATOM 1185 C GLN A 84 2.948 15.171 -3.650 1.00 34.15 C ATOM 1186 O GLN A 84 3.658 16.102 -3.273 1.00 64.33 O ATOM 1187 CB GLN A 84 4.125 12.983 -3.958 1.00 50.21 C ATOM 1188 CG GLN A 84 5.060 12.166 -3.087 1.00 5.01 C ATOM 1189 CD GLN A 84 4.313 11.143 -2.252 1.00 44.23 C ATOM 1190 OE1 GLN A 84 3.968 11.384 -1.104 1.00 33.32 O ATOM 1191 NE2 GLN A 84 4.079 9.981 -2.813 1.00 51.20 N ATOM 0 H GLN A 84 1.879 12.163 -3.480 1.00 63.10 H new ATOM 0 HA GLN A 84 3.562 13.880 -2.071 1.00 43.23 H new ATOM 0 HB2 GLN A 84 3.573 12.327 -4.631 1.00 50.21 H new ATOM 0 HB3 GLN A 84 4.699 13.669 -4.581 1.00 50.21 H new ATOM 0 HG2 GLN A 84 5.789 11.657 -3.717 1.00 5.01 H new ATOM 0 HG3 GLN A 84 5.618 12.833 -2.429 1.00 5.01 H new ATOM 0 HE21 GLN A 84 4.379 9.808 -3.773 1.00 51.20 H new ATOM 0 HE22 GLN A 84 3.597 9.250 -2.290 1.00 51.20 H new ATOM 1198 N GLN A 85 1.940 15.332 -4.512 1.00 44.02 N ATOM 1199 CA GLN A 85 1.568 16.600 -5.127 1.00 23.53 C ATOM 1200 C GLN A 85 1.265 17.661 -4.072 1.00 50.32 C ATOM 1201 O GLN A 85 1.476 18.853 -4.307 1.00 5.31 O ATOM 1202 CB GLN A 85 0.307 16.406 -5.973 1.00 44.44 C ATOM 1203 CG GLN A 85 0.458 15.325 -7.040 1.00 71.30 C ATOM 1204 CD GLN A 85 -0.847 15.182 -7.812 1.00 23.15 C ATOM 1205 OE1 GLN A 85 -1.014 15.758 -8.886 1.00 73.02 O ATOM 1206 NE2 GLN A 85 -1.823 14.496 -7.242 1.00 61.43 N ATOM 0 H GLN A 85 1.345 14.558 -4.807 1.00 44.02 H new ATOM 0 HA GLN A 85 2.407 16.930 -5.740 1.00 23.53 H new ATOM 0 HB2 GLN A 85 -0.525 16.147 -5.318 1.00 44.44 H new ATOM 0 HB3 GLN A 85 0.052 17.350 -6.455 1.00 44.44 H new ATOM 0 HG2 GLN A 85 1.269 15.583 -7.721 1.00 71.30 H new ATOM 0 HG3 GLN A 85 0.723 14.375 -6.575 1.00 71.30 H new ATOM 0 HE21 GLN A 85 -1.663 14.026 -6.351 1.00 61.43 H new ATOM 0 HE22 GLN A 85 -2.736 14.437 -7.693 1.00 61.43 H new ATOM 1213 N ARG A 86 0.728 17.246 -2.927 1.00 52.02 N ATOM 1214 CA ARG A 86 0.277 18.117 -1.838 1.00 62.10 C ATOM 1215 C ARG A 86 1.112 17.967 -0.567 1.00 25.25 C ATOM 1216 O ARG A 86 1.029 18.824 0.318 1.00 23.54 O ATOM 1217 CB ARG A 86 -1.221 17.875 -1.579 1.00 24.32 C ATOM 1218 CG ARG A 86 -1.591 16.443 -1.163 1.00 10.02 C ATOM 1219 CD ARG A 86 -3.104 16.296 -0.991 1.00 70.33 C ATOM 1220 NE ARG A 86 -3.433 15.066 -0.255 1.00 44.01 N ATOM 1221 CZ ARG A 86 -3.953 14.972 0.972 1.00 25.45 C ATOM 1222 NH1 ARG A 86 -4.158 16.032 1.753 1.00 2.12 N ATOM 1223 NH2 ARG A 86 -4.258 13.772 1.428 1.00 74.10 N ATOM 0 H ARG A 86 0.589 16.257 -2.722 1.00 52.02 H new ATOM 0 HA ARG A 86 0.422 19.151 -2.151 1.00 62.10 H new ATOM 0 HB2 ARG A 86 -1.554 18.560 -0.799 1.00 24.32 H new ATOM 0 HB3 ARG A 86 -1.775 18.128 -2.483 1.00 24.32 H new ATOM 0 HG2 ARG A 86 -1.237 15.739 -1.916 1.00 10.02 H new ATOM 0 HG3 ARG A 86 -1.089 16.191 -0.229 1.00 10.02 H new ATOM 0 HD2 ARG A 86 -3.499 17.160 -0.457 1.00 70.33 H new ATOM 0 HD3 ARG A 86 -3.585 16.279 -1.969 1.00 70.33 H new ATOM 0 HE ARG A 86 -3.243 14.186 -0.735 1.00 44.01 H new ATOM 0 HH11 ARG A 86 -3.915 16.965 1.420 1.00 2.12 H new ATOM 0 HH12 ARG A 86 -4.558 15.910 2.683 1.00 2.12 H new ATOM 0 HH21 ARG A 86 -4.095 12.949 0.848 1.00 74.10 H new ATOM 0 HH22 ARG A 86 -4.657 13.667 2.361 1.00 74.10 H new ATOM 1234 N ASN A 87 1.894 16.898 -0.445 1.00 10.14 N ATOM 1235 CA ASN A 87 2.703 16.526 0.704 1.00 54.03 C ATOM 1236 C ASN A 87 4.011 17.310 0.682 1.00 71.41 C ATOM 1237 O ASN A 87 5.096 16.749 0.495 1.00 52.21 O ATOM 1238 CB ASN A 87 2.958 15.009 0.687 1.00 2.43 C ATOM 1239 CG ASN A 87 1.879 14.120 1.298 1.00 32.53 C ATOM 1240 OD1 ASN A 87 1.979 12.902 1.257 1.00 4.42 O ATOM 1241 ND2 ASN A 87 0.918 14.640 2.034 1.00 23.12 N ATOM 0 H ASN A 87 1.983 16.222 -1.204 1.00 10.14 H new ATOM 0 HA ASN A 87 2.175 16.770 1.626 1.00 54.03 H new ATOM 0 HB2 ASN A 87 3.105 14.701 -0.348 1.00 2.43 H new ATOM 0 HB3 ASN A 87 3.894 14.816 1.212 1.00 2.43 H new ATOM 0 HD21 ASN A 87 0.283 14.030 2.549 1.00 23.12 H new ATOM 0 HD22 ASN A 87 0.809 15.653 2.089 1.00 23.12 H new ATOM 1247 N GLU A 88 3.907 18.613 0.932 1.00 43.11 N ATOM 1248 CA GLU A 88 5.050 19.510 1.041 1.00 51.03 C ATOM 1249 C GLU A 88 6.057 19.047 2.100 1.00 44.44 C ATOM 1250 O GLU A 88 7.234 19.399 1.987 1.00 25.24 O ATOM 1251 CB GLU A 88 4.559 20.940 1.340 1.00 72.20 C ATOM 1252 CG GLU A 88 4.221 21.748 0.077 1.00 10.04 C ATOM 1253 CD GLU A 88 3.629 23.125 0.408 1.00 52.23 C ATOM 1254 OE1 GLU A 88 4.407 24.094 0.612 1.00 13.01 O ATOM 1255 OE2 GLU A 88 2.387 23.232 0.504 1.00 5.22 O ATOM 0 H GLU A 88 3.011 19.081 1.066 1.00 43.11 H new ATOM 0 HA GLU A 88 5.576 19.498 0.086 1.00 51.03 H new ATOM 0 HB2 GLU A 88 3.675 20.887 1.975 1.00 72.20 H new ATOM 0 HB3 GLU A 88 5.326 21.469 1.905 1.00 72.20 H new ATOM 0 HG2 GLU A 88 5.123 21.877 -0.521 1.00 10.04 H new ATOM 0 HG3 GLU A 88 3.512 21.187 -0.532 1.00 10.04 H new ATOM 1260 N ASN A 89 5.629 18.273 3.106 1.00 64.51 N ATOM 1261 CA ASN A 89 6.476 17.861 4.224 1.00 43.13 C ATOM 1262 C ASN A 89 6.155 16.449 4.732 1.00 74.34 C ATOM 1263 O ASN A 89 6.549 16.115 5.845 1.00 10.42 O ATOM 1264 CB ASN A 89 6.411 18.907 5.355 1.00 43.41 C ATOM 1265 CG ASN A 89 7.344 20.081 5.100 1.00 65.20 C ATOM 1266 OD1 ASN A 89 8.565 19.961 5.215 1.00 71.34 O ATOM 1267 ND2 ASN A 89 6.809 21.233 4.745 1.00 4.12 N ATOM 0 H ASN A 89 4.676 17.914 3.164 1.00 64.51 H new ATOM 0 HA ASN A 89 7.500 17.812 3.854 1.00 43.13 H new ATOM 0 HB2 ASN A 89 5.388 19.271 5.453 1.00 43.41 H new ATOM 0 HB3 ASN A 89 6.673 18.434 6.301 1.00 43.41 H new ATOM 0 HD21 ASN A 89 7.408 22.038 4.562 1.00 4.12 H new ATOM 0 HD22 ASN A 89 5.797 21.319 4.653 1.00 4.12 H new ATOM 1273 N ASN A 90 5.468 15.598 3.955 1.00 65.32 N ATOM 1274 CA ASN A 90 5.151 14.217 4.361 1.00 33.52 C ATOM 1275 C ASN A 90 6.142 13.214 3.767 1.00 54.32 C ATOM 1276 O ASN A 90 5.873 12.661 2.700 1.00 54.00 O ATOM 1277 CB ASN A 90 3.729 13.808 3.973 1.00 54.42 C ATOM 1278 CG ASN A 90 3.292 12.462 4.554 1.00 71.52 C ATOM 1279 OD1 ASN A 90 3.828 11.945 5.535 1.00 31.45 O ATOM 1280 ND2 ASN A 90 2.324 11.812 3.934 1.00 53.33 N ATOM 0 H ASN A 90 5.117 15.845 3.030 1.00 65.32 H new ATOM 0 HA ASN A 90 5.230 14.200 5.448 1.00 33.52 H new ATOM 0 HB2 ASN A 90 3.035 14.580 4.307 1.00 54.42 H new ATOM 0 HB3 ASN A 90 3.658 13.764 2.886 1.00 54.42 H new ATOM 0 HD21 ASN A 90 2.030 10.895 4.269 1.00 53.33 H new ATOM 0 HD22 ASN A 90 1.871 12.227 3.120 1.00 53.33 H new ATOM 1286 N PRO A 91 7.297 12.947 4.390 1.00 1.45 N ATOM 1287 CA PRO A 91 8.254 11.978 3.875 1.00 65.30 C ATOM 1288 C PRO A 91 7.623 10.586 3.820 1.00 41.10 C ATOM 1289 O PRO A 91 7.905 9.808 2.916 1.00 25.34 O ATOM 1290 CB PRO A 91 9.436 12.032 4.852 1.00 32.41 C ATOM 1291 CG PRO A 91 8.799 12.486 6.164 1.00 2.35 C ATOM 1292 CD PRO A 91 7.702 13.418 5.699 1.00 74.21 C ATOM 0 HA PRO A 91 8.573 12.201 2.857 1.00 65.30 H new ATOM 0 HB2 PRO A 91 9.915 11.059 4.955 1.00 32.41 H new ATOM 0 HB3 PRO A 91 10.202 12.731 4.516 1.00 32.41 H new ATOM 0 HG2 PRO A 91 8.401 11.645 6.733 1.00 2.35 H new ATOM 0 HG3 PRO A 91 9.517 12.995 6.807 1.00 2.35 H new ATOM 0 HD2 PRO A 91 6.862 13.407 6.393 1.00 74.21 H new ATOM 0 HD3 PRO A 91 8.060 14.446 5.649 1.00 74.21 H new ATOM 1297 N THR A 92 6.750 10.267 4.768 1.00 10.15 N ATOM 1298 CA THR A 92 6.264 8.927 4.995 1.00 61.51 C ATOM 1299 C THR A 92 5.554 8.377 3.754 1.00 31.44 C ATOM 1300 O THR A 92 5.968 7.326 3.269 1.00 41.03 O ATOM 1301 CB THR A 92 5.427 8.965 6.276 1.00 62.30 C ATOM 1302 OG1 THR A 92 6.249 9.496 7.287 1.00 11.33 O ATOM 1303 CG2 THR A 92 4.937 7.591 6.708 1.00 33.34 C ATOM 0 H THR A 92 6.356 10.954 5.411 1.00 10.15 H new ATOM 0 HA THR A 92 7.073 8.213 5.152 1.00 61.51 H new ATOM 0 HB THR A 92 4.539 9.570 6.094 1.00 62.30 H new ATOM 0 HG1 THR A 92 5.747 9.539 8.128 1.00 11.33 H new ATOM 0 HG21 THR A 92 4.350 7.685 7.622 1.00 33.34 H new ATOM 0 HG22 THR A 92 4.317 7.162 5.921 1.00 33.34 H new ATOM 0 HG23 THR A 92 5.792 6.941 6.891 1.00 33.34 H new ATOM 1311 N ALA A 93 4.543 9.065 3.205 1.00 53.44 N ATOM 1312 CA ALA A 93 3.911 8.636 1.952 1.00 25.54 C ATOM 1313 C ALA A 93 4.945 8.612 0.820 1.00 12.25 C ATOM 1314 O ALA A 93 5.038 7.632 0.079 1.00 65.34 O ATOM 1315 CB ALA A 93 2.749 9.569 1.607 1.00 43.44 C ATOM 0 H ALA A 93 4.148 9.915 3.607 1.00 53.44 H new ATOM 0 HA ALA A 93 3.518 7.627 2.077 1.00 25.54 H new ATOM 0 HB1 ALA A 93 2.285 9.244 0.676 1.00 43.44 H new ATOM 0 HB2 ALA A 93 2.011 9.542 2.409 1.00 43.44 H new ATOM 0 HB3 ALA A 93 3.122 10.587 1.491 1.00 43.44 H new ATOM 1321 N LYS A 94 5.776 9.656 0.764 1.00 51.30 N ATOM 1322 CA LYS A 94 6.798 9.882 -0.246 1.00 72.50 C ATOM 1323 C LYS A 94 7.650 8.665 -0.523 1.00 22.51 C ATOM 1324 O LYS A 94 7.894 8.343 -1.686 1.00 73.20 O ATOM 1325 CB LYS A 94 7.673 11.072 0.181 1.00 74.52 C ATOM 1326 CG LYS A 94 7.800 12.128 -0.909 1.00 44.43 C ATOM 1327 CD LYS A 94 7.120 13.466 -0.526 1.00 3.04 C ATOM 1328 CE LYS A 94 7.682 14.228 0.682 1.00 44.33 C ATOM 1329 NZ LYS A 94 8.642 15.286 0.314 1.00 54.10 N ATOM 0 H LYS A 94 5.748 10.401 1.460 1.00 51.30 H new ATOM 0 HA LYS A 94 6.287 10.104 -1.183 1.00 72.50 H new ATOM 0 HB2 LYS A 94 7.248 11.528 1.075 1.00 74.52 H new ATOM 0 HB3 LYS A 94 8.666 10.710 0.449 1.00 74.52 H new ATOM 0 HG2 LYS A 94 8.855 12.307 -1.115 1.00 44.43 H new ATOM 0 HG3 LYS A 94 7.356 11.750 -1.830 1.00 44.43 H new ATOM 0 HD2 LYS A 94 7.167 14.127 -1.392 1.00 3.04 H new ATOM 0 HD3 LYS A 94 6.066 13.265 -0.336 1.00 3.04 H new ATOM 0 HE2 LYS A 94 6.856 14.674 1.237 1.00 44.33 H new ATOM 0 HE3 LYS A 94 8.171 13.521 1.352 1.00 44.33 H new ATOM 0 HZ1 LYS A 94 8.982 15.760 1.175 1.00 54.10 H new ATOM 0 HZ2 LYS A 94 9.448 14.864 -0.190 1.00 54.10 H new ATOM 0 HZ3 LYS A 94 8.174 15.981 -0.302 1.00 54.10 H new ATOM 1339 N TYR A 95 8.176 8.038 0.522 1.00 63.41 N ATOM 1340 CA TYR A 95 9.036 6.886 0.340 1.00 14.21 C ATOM 1341 C TYR A 95 8.203 5.620 0.124 1.00 25.33 C ATOM 1342 O TYR A 95 8.599 4.792 -0.686 1.00 44.11 O ATOM 1343 CB TYR A 95 9.944 6.729 1.553 1.00 72.51 C ATOM 1344 CG TYR A 95 10.998 7.815 1.727 1.00 70.11 C ATOM 1345 CD1 TYR A 95 12.195 7.765 0.999 1.00 62.42 C ATOM 1346 CD2 TYR A 95 10.836 8.829 2.683 1.00 44.41 C ATOM 1347 CE1 TYR A 95 13.221 8.701 1.237 1.00 31.55 C ATOM 1348 CE2 TYR A 95 11.844 9.770 2.928 1.00 63.14 C ATOM 1349 CZ TYR A 95 13.044 9.718 2.199 1.00 33.11 C ATOM 1350 OH TYR A 95 14.005 10.647 2.437 1.00 33.44 O ATOM 0 H TYR A 95 8.022 8.308 1.493 1.00 63.41 H new ATOM 0 HA TYR A 95 9.651 7.039 -0.547 1.00 14.21 H new ATOM 0 HB2 TYR A 95 9.323 6.702 2.449 1.00 72.51 H new ATOM 0 HB3 TYR A 95 10.448 5.765 1.486 1.00 72.51 H new ATOM 0 HD1 TYR A 95 12.332 7.001 0.248 1.00 62.42 H new ATOM 0 HD2 TYR A 95 9.914 8.885 3.242 1.00 44.41 H new ATOM 0 HE1 TYR A 95 14.145 8.640 0.682 1.00 31.55 H new ATOM 0 HE2 TYR A 95 11.699 10.535 3.677 1.00 63.14 H new ATOM 0 HH TYR A 95 13.698 11.264 3.133 1.00 33.44 H new ATOM 1359 N ARG A 96 7.066 5.436 0.814 1.00 3.15 N ATOM 1360 CA ARG A 96 6.208 4.258 0.651 1.00 10.21 C ATOM 1361 C ARG A 96 5.832 4.043 -0.800 1.00 72.13 C ATOM 1362 O ARG A 96 6.027 2.944 -1.301 1.00 22.14 O ATOM 1363 CB ARG A 96 4.916 4.405 1.458 1.00 50.12 C ATOM 1364 CG ARG A 96 5.153 4.236 2.945 1.00 41.13 C ATOM 1365 CD ARG A 96 3.874 4.399 3.757 1.00 14.42 C ATOM 1366 NE ARG A 96 4.055 3.907 5.125 1.00 13.42 N ATOM 1367 CZ ARG A 96 3.093 3.815 6.042 1.00 21.15 C ATOM 1368 NH1 ARG A 96 1.897 4.350 5.829 1.00 63.11 N ATOM 1369 NH2 ARG A 96 3.356 3.176 7.174 1.00 61.53 N ATOM 0 H ARG A 96 6.718 6.104 1.502 1.00 3.15 H new ATOM 0 HA ARG A 96 6.781 3.403 1.012 1.00 10.21 H new ATOM 0 HB2 ARG A 96 4.481 5.386 1.270 1.00 50.12 H new ATOM 0 HB3 ARG A 96 4.191 3.664 1.120 1.00 50.12 H new ATOM 0 HG2 ARG A 96 5.577 3.250 3.133 1.00 41.13 H new ATOM 0 HG3 ARG A 96 5.888 4.968 3.279 1.00 41.13 H new ATOM 0 HD2 ARG A 96 3.585 5.450 3.780 1.00 14.42 H new ATOM 0 HD3 ARG A 96 3.061 3.855 3.276 1.00 14.42 H new ATOM 0 HE ARG A 96 4.992 3.611 5.397 1.00 13.42 H new ATOM 0 HH11 ARG A 96 1.705 4.839 4.955 1.00 63.11 H new ATOM 0 HH12 ARG A 96 1.170 4.272 6.540 1.00 63.11 H new ATOM 0 HH21 ARG A 96 4.278 2.768 7.327 1.00 61.53 H new ATOM 0 HH22 ARG A 96 2.636 3.092 7.892 1.00 61.53 H new ATOM 1380 N ALA A 97 5.311 5.069 -1.466 1.00 65.30 N ATOM 1381 CA ALA A 97 4.908 5.017 -2.850 1.00 14.01 C ATOM 1382 C ALA A 97 6.085 4.533 -3.688 1.00 13.42 C ATOM 1383 O ALA A 97 5.997 3.520 -4.373 1.00 12.45 O ATOM 1384 CB ALA A 97 4.456 6.426 -3.228 1.00 34.53 C ATOM 0 H ALA A 97 5.157 5.982 -1.037 1.00 65.30 H new ATOM 0 HA ALA A 97 4.088 4.321 -3.026 1.00 14.01 H new ATOM 0 HB1 ALA A 97 4.140 6.439 -4.271 1.00 34.53 H new ATOM 0 HB2 ALA A 97 3.622 6.723 -2.592 1.00 34.53 H new ATOM 0 HB3 ALA A 97 5.283 7.123 -3.091 1.00 34.53 H new ATOM 1390 N ARG A 98 7.228 5.208 -3.557 1.00 4.22 N ATOM 1391 CA ARG A 98 8.440 4.872 -4.288 1.00 1.11 C ATOM 1392 C ARG A 98 8.954 3.455 -3.980 1.00 4.01 C ATOM 1393 O ARG A 98 9.551 2.826 -4.857 1.00 72.32 O ATOM 1394 CB ARG A 98 9.486 5.969 -4.022 1.00 33.55 C ATOM 1395 CG ARG A 98 9.396 7.128 -5.034 1.00 21.32 C ATOM 1396 CD ARG A 98 9.748 8.494 -4.421 1.00 24.55 C ATOM 1397 NE ARG A 98 9.950 9.526 -5.451 1.00 73.23 N ATOM 1398 CZ ARG A 98 11.085 9.836 -6.086 1.00 41.13 C ATOM 1399 NH1 ARG A 98 12.181 9.110 -5.923 1.00 10.43 N ATOM 1400 NH2 ARG A 98 11.132 10.886 -6.891 1.00 32.33 N ATOM 0 H ARG A 98 7.334 6.009 -2.934 1.00 4.22 H new ATOM 0 HA ARG A 98 8.220 4.844 -5.355 1.00 1.11 H new ATOM 0 HB2 ARG A 98 9.349 6.360 -3.014 1.00 33.55 H new ATOM 0 HB3 ARG A 98 10.484 5.532 -4.062 1.00 33.55 H new ATOM 0 HG2 ARG A 98 10.068 6.927 -5.868 1.00 21.32 H new ATOM 0 HG3 ARG A 98 8.386 7.169 -5.441 1.00 21.32 H new ATOM 0 HD2 ARG A 98 8.950 8.806 -3.748 1.00 24.55 H new ATOM 0 HD3 ARG A 98 10.653 8.399 -3.820 1.00 24.55 H new ATOM 0 HE ARG A 98 9.127 10.069 -5.711 1.00 73.23 H new ATOM 0 HH11 ARG A 98 12.168 8.299 -5.305 1.00 10.43 H new ATOM 0 HH12 ARG A 98 13.038 9.362 -6.416 1.00 10.43 H new ATOM 0 HH21 ARG A 98 10.301 11.461 -7.028 1.00 32.33 H new ATOM 0 HH22 ARG A 98 11.999 11.120 -7.374 1.00 32.33 H new ATOM 1411 N LEU A 99 8.719 2.922 -2.778 1.00 5.35 N ATOM 1412 CA LEU A 99 9.043 1.546 -2.402 1.00 23.32 C ATOM 1413 C LEU A 99 8.158 0.583 -3.168 1.00 45.31 C ATOM 1414 O LEU A 99 8.653 -0.240 -3.931 1.00 45.45 O ATOM 1415 CB LEU A 99 8.882 1.349 -0.886 1.00 65.54 C ATOM 1416 CG LEU A 99 9.240 -0.057 -0.359 1.00 10.01 C ATOM 1417 CD1 LEU A 99 10.523 -0.639 -0.949 1.00 52.44 C ATOM 1418 CD2 LEU A 99 9.403 0.036 1.163 1.00 62.32 C ATOM 0 H LEU A 99 8.287 3.451 -2.020 1.00 5.35 H new ATOM 0 HA LEU A 99 10.083 1.344 -2.658 1.00 23.32 H new ATOM 0 HB2 LEU A 99 9.507 2.080 -0.373 1.00 65.54 H new ATOM 0 HB3 LEU A 99 7.849 1.567 -0.616 1.00 65.54 H new ATOM 0 HG LEU A 99 8.432 -0.725 -0.658 1.00 10.01 H new ATOM 0 HD11 LEU A 99 10.702 -1.628 -0.527 1.00 52.44 H new ATOM 0 HD12 LEU A 99 10.422 -0.720 -2.031 1.00 52.44 H new ATOM 0 HD13 LEU A 99 11.362 0.015 -0.711 1.00 52.44 H new ATOM 0 HD21 LEU A 99 9.657 -0.946 1.562 1.00 62.32 H new ATOM 0 HD22 LEU A 99 10.199 0.741 1.401 1.00 62.32 H new ATOM 0 HD23 LEU A 99 8.469 0.379 1.609 1.00 62.32 H new ATOM 1429 N MET A 100 6.849 0.718 -2.975 1.00 5.31 N ATOM 1430 CA MET A 100 5.844 -0.089 -3.665 1.00 4.40 C ATOM 1431 C MET A 100 6.086 -0.057 -5.184 1.00 44.35 C ATOM 1432 O MET A 100 6.075 -1.103 -5.824 1.00 44.43 O ATOM 1433 CB MET A 100 4.416 0.361 -3.315 1.00 14.04 C ATOM 1434 CG MET A 100 4.015 0.388 -1.830 1.00 71.31 C ATOM 1435 SD MET A 100 4.743 -0.848 -0.713 1.00 32.12 S ATOM 1436 CE MET A 100 3.545 -2.179 -0.965 1.00 70.34 C ATOM 0 H MET A 100 6.450 1.398 -2.328 1.00 5.31 H new ATOM 0 HA MET A 100 5.944 -1.119 -3.323 1.00 4.40 H new ATOM 0 HB2 MET A 100 4.273 1.363 -3.719 1.00 14.04 H new ATOM 0 HB3 MET A 100 3.721 -0.296 -3.838 1.00 14.04 H new ATOM 0 HG2 MET A 100 4.261 1.375 -1.438 1.00 71.31 H new ATOM 0 HG3 MET A 100 2.931 0.285 -1.777 1.00 71.31 H new ATOM 0 HE1 MET A 100 3.823 -3.039 -0.356 1.00 70.34 H new ATOM 0 HE2 MET A 100 2.552 -1.835 -0.675 1.00 70.34 H new ATOM 0 HE3 MET A 100 3.537 -2.467 -2.016 1.00 70.34 H new ATOM 1444 N LYS A 101 6.416 1.109 -5.751 1.00 62.43 N ATOM 1445 CA LYS A 101 6.831 1.277 -7.143 1.00 23.12 C ATOM 1446 C LYS A 101 7.953 0.316 -7.509 1.00 54.13 C ATOM 1447 O LYS A 101 7.819 -0.446 -8.455 1.00 50.45 O ATOM 1448 CB LYS A 101 7.217 2.727 -7.404 1.00 14.21 C ATOM 1449 CG LYS A 101 7.671 2.932 -8.850 1.00 2.42 C ATOM 1450 CD LYS A 101 7.392 4.378 -9.225 1.00 61.40 C ATOM 1451 CE LYS A 101 8.423 4.880 -10.225 1.00 25.15 C ATOM 1452 NZ LYS A 101 8.071 6.223 -10.707 1.00 74.44 N ATOM 0 H LYS A 101 6.400 1.988 -5.234 1.00 62.43 H new ATOM 0 HA LYS A 101 5.987 1.031 -7.788 1.00 23.12 H new ATOM 0 HB2 LYS A 101 6.367 3.375 -7.193 1.00 14.21 H new ATOM 0 HB3 LYS A 101 8.018 3.020 -6.725 1.00 14.21 H new ATOM 0 HG2 LYS A 101 8.733 2.709 -8.952 1.00 2.42 H new ATOM 0 HG3 LYS A 101 7.138 2.255 -9.517 1.00 2.42 H new ATOM 0 HD2 LYS A 101 6.392 4.462 -9.652 1.00 61.40 H new ATOM 0 HD3 LYS A 101 7.411 5.001 -8.331 1.00 61.40 H new ATOM 0 HE2 LYS A 101 9.408 4.903 -9.759 1.00 25.15 H new ATOM 0 HE3 LYS A 101 8.485 4.191 -11.067 1.00 25.15 H new ATOM 0 HZ1 LYS A 101 8.787 6.546 -11.388 1.00 74.44 H new ATOM 0 HZ2 LYS A 101 7.141 6.192 -11.171 1.00 74.44 H new ATOM 0 HZ3 LYS A 101 8.035 6.882 -9.903 1.00 74.44 H new ATOM 1462 N LYS A 102 9.065 0.340 -6.774 1.00 72.12 N ATOM 1463 CA LYS A 102 10.203 -0.519 -7.092 1.00 3.01 C ATOM 1464 C LYS A 102 9.881 -1.999 -6.910 1.00 71.53 C ATOM 1465 O LYS A 102 10.533 -2.841 -7.519 1.00 73.14 O ATOM 1466 CB LYS A 102 11.435 -0.115 -6.269 1.00 54.12 C ATOM 1467 CG LYS A 102 12.600 0.160 -7.226 1.00 54.03 C ATOM 1468 CD LYS A 102 13.820 0.718 -6.497 1.00 5.42 C ATOM 1469 CE LYS A 102 15.040 0.582 -7.410 1.00 64.55 C ATOM 1470 NZ LYS A 102 16.266 1.053 -6.740 1.00 3.41 N ATOM 0 H LYS A 102 9.201 0.940 -5.961 1.00 72.12 H new ATOM 0 HA LYS A 102 10.430 -0.375 -8.148 1.00 3.01 H new ATOM 0 HB2 LYS A 102 11.217 0.772 -5.675 1.00 54.12 H new ATOM 0 HB3 LYS A 102 11.700 -0.909 -5.571 1.00 54.12 H new ATOM 0 HG2 LYS A 102 12.874 -0.762 -7.738 1.00 54.03 H new ATOM 0 HG3 LYS A 102 12.281 0.867 -7.992 1.00 54.03 H new ATOM 0 HD2 LYS A 102 13.658 1.764 -6.235 1.00 5.42 H new ATOM 0 HD3 LYS A 102 13.983 0.177 -5.565 1.00 5.42 H new ATOM 0 HE2 LYS A 102 15.162 -0.460 -7.705 1.00 64.55 H new ATOM 0 HE3 LYS A 102 14.879 1.155 -8.323 1.00 64.55 H new ATOM 0 HZ1 LYS A 102 17.076 0.948 -7.384 1.00 3.41 H new ATOM 0 HZ2 LYS A 102 16.157 2.054 -6.481 1.00 3.41 H new ATOM 0 HZ3 LYS A 102 16.431 0.489 -5.882 1.00 3.41 H new ATOM 1480 N ILE A 103 8.884 -2.337 -6.098 1.00 3.42 N ATOM 1481 CA ILE A 103 8.400 -3.695 -5.995 1.00 53.42 C ATOM 1482 C ILE A 103 7.599 -4.036 -7.262 1.00 11.43 C ATOM 1483 O ILE A 103 7.783 -5.120 -7.793 1.00 3.00 O ATOM 1484 CB ILE A 103 7.661 -3.892 -4.652 1.00 50.02 C ATOM 1485 CG1 ILE A 103 8.637 -3.687 -3.464 1.00 72.21 C ATOM 1486 CG2 ILE A 103 7.040 -5.294 -4.556 1.00 73.44 C ATOM 1487 CD1 ILE A 103 7.929 -3.396 -2.137 1.00 65.13 C ATOM 0 H ILE A 103 8.395 -1.673 -5.497 1.00 3.42 H new ATOM 0 HA ILE A 103 9.214 -4.419 -5.963 1.00 53.42 H new ATOM 0 HB ILE A 103 6.863 -3.151 -4.606 1.00 50.02 H new ATOM 0 HG12 ILE A 103 9.252 -4.580 -3.351 1.00 72.21 H new ATOM 0 HG13 ILE A 103 9.311 -2.863 -3.696 1.00 72.21 H new ATOM 0 HG21 ILE A 103 6.528 -5.400 -3.600 1.00 73.44 H new ATOM 0 HG22 ILE A 103 6.326 -5.432 -5.368 1.00 73.44 H new ATOM 0 HG23 ILE A 103 7.825 -6.046 -4.632 1.00 73.44 H new ATOM 0 HD11 ILE A 103 8.671 -3.264 -1.350 1.00 65.13 H new ATOM 0 HD12 ILE A 103 7.336 -2.487 -2.233 1.00 65.13 H new ATOM 0 HD13 ILE A 103 7.276 -4.230 -1.883 1.00 65.13 H new ATOM 1498 N ALA A 104 6.761 -3.145 -7.797 1.00 70.31 N ATOM 1499 CA ALA A 104 6.087 -3.395 -9.072 1.00 63.33 C ATOM 1500 C ALA A 104 7.064 -3.384 -10.261 1.00 30.31 C ATOM 1501 O ALA A 104 6.749 -3.908 -11.327 1.00 73.35 O ATOM 1502 CB ALA A 104 4.991 -2.351 -9.287 1.00 5.20 C ATOM 0 H ALA A 104 6.534 -2.248 -7.369 1.00 70.31 H new ATOM 0 HA ALA A 104 5.649 -4.392 -9.023 1.00 63.33 H new ATOM 0 HB1 ALA A 104 4.491 -2.539 -10.237 1.00 5.20 H new ATOM 0 HB2 ALA A 104 4.265 -2.413 -8.476 1.00 5.20 H new ATOM 0 HB3 ALA A 104 5.435 -1.355 -9.302 1.00 5.20 H new ATOM 1508 N ASP A 105 8.251 -2.798 -10.106 1.00 30.42 N ATOM 1509 CA ASP A 105 9.215 -2.595 -11.180 1.00 23.43 C ATOM 1510 C ASP A 105 9.803 -3.936 -11.594 1.00 42.31 C ATOM 1511 O ASP A 105 9.766 -4.330 -12.762 1.00 41.33 O ATOM 1512 CB ASP A 105 10.333 -1.667 -10.698 1.00 65.34 C ATOM 1513 CG ASP A 105 11.444 -1.552 -11.735 1.00 72.11 C ATOM 1514 OD1 ASP A 105 11.124 -1.139 -12.873 1.00 32.21 O ATOM 1515 OD2 ASP A 105 12.619 -1.793 -11.383 1.00 44.23 O ATOM 0 H ASP A 105 8.574 -2.443 -9.206 1.00 30.42 H new ATOM 0 HA ASP A 105 8.715 -2.140 -12.035 1.00 23.43 H new ATOM 0 HB2 ASP A 105 9.923 -0.679 -10.490 1.00 65.34 H new ATOM 0 HB3 ASP A 105 10.744 -2.045 -9.762 1.00 65.34 H new ATOM 1519 N LEU A 106 10.300 -4.661 -10.598 1.00 31.10 N ATOM 1520 CA LEU A 106 10.971 -5.946 -10.738 1.00 10.01 C ATOM 1521 C LEU A 106 9.963 -7.096 -10.739 1.00 71.44 C ATOM 1522 O LEU A 106 10.352 -8.249 -10.539 1.00 52.23 O ATOM 1523 CB LEU A 106 11.998 -6.073 -9.599 1.00 30.20 C ATOM 1524 CG LEU A 106 13.060 -4.959 -9.564 1.00 23.12 C ATOM 1525 CD1 LEU A 106 13.696 -4.881 -8.177 1.00 13.44 C ATOM 1526 CD2 LEU A 106 14.121 -5.183 -10.638 1.00 51.42 C ATOM 0 H LEU A 106 10.243 -4.354 -9.627 1.00 31.10 H new ATOM 0 HA LEU A 106 11.489 -6.001 -11.695 1.00 10.01 H new ATOM 0 HB2 LEU A 106 11.466 -6.079 -8.648 1.00 30.20 H new ATOM 0 HB3 LEU A 106 12.503 -7.035 -9.689 1.00 30.20 H new ATOM 0 HG LEU A 106 12.571 -4.008 -9.775 1.00 23.12 H new ATOM 0 HD11 LEU A 106 14.445 -4.090 -8.164 1.00 13.44 H new ATOM 0 HD12 LEU A 106 12.927 -4.664 -7.436 1.00 13.44 H new ATOM 0 HD13 LEU A 106 14.170 -5.833 -7.940 1.00 13.44 H new ATOM 0 HD21 LEU A 106 14.860 -4.383 -10.592 1.00 51.42 H new ATOM 0 HD22 LEU A 106 14.613 -6.141 -10.469 1.00 51.42 H new ATOM 0 HD23 LEU A 106 13.649 -5.186 -11.621 1.00 51.42 H new ATOM 1537 N TRP A 107 8.671 -6.795 -10.902 1.00 61.25 N ATOM 1538 CA TRP A 107 7.626 -7.794 -10.954 1.00 45.41 C ATOM 1539 C TRP A 107 7.781 -8.553 -12.260 1.00 62.14 C ATOM 1540 O TRP A 107 7.554 -7.966 -13.338 1.00 73.43 O ATOM 1541 CB TRP A 107 6.244 -7.137 -10.777 1.00 51.11 C ATOM 1542 CG TRP A 107 5.217 -8.034 -10.157 1.00 12.33 C ATOM 1543 CD1 TRP A 107 4.142 -8.577 -10.771 1.00 45.15 C ATOM 1544 CD2 TRP A 107 5.044 -8.339 -8.739 1.00 31.40 C ATOM 1545 NE1 TRP A 107 3.472 -9.387 -9.872 1.00 22.31 N ATOM 1546 CE2 TRP A 107 3.902 -9.177 -8.578 1.00 25.41 C ATOM 1547 CE3 TRP A 107 5.673 -7.882 -7.564 1.00 32.50 C ATOM 1548 CZ2 TRP A 107 3.411 -9.546 -7.312 1.00 31.23 C ATOM 1549 CZ3 TRP A 107 5.190 -8.236 -6.290 1.00 70.33 C ATOM 1550 CH2 TRP A 107 4.051 -9.049 -6.163 1.00 74.35 C ATOM 0 H TRP A 107 8.329 -5.839 -11.001 1.00 61.25 H new ATOM 0 HA TRP A 107 7.710 -8.507 -10.134 1.00 45.41 H new ATOM 0 HB2 TRP A 107 6.353 -6.246 -10.159 1.00 51.11 H new ATOM 0 HB3 TRP A 107 5.883 -6.807 -11.751 1.00 51.11 H new ATOM 0 HD1 TRP A 107 3.853 -8.406 -11.797 1.00 45.15 H new ATOM 0 HE1 TRP A 107 2.749 -10.057 -10.134 1.00 22.31 H new ATOM 0 HE3 TRP A 107 6.543 -7.247 -7.642 1.00 32.50 H new ATOM 0 HZ2 TRP A 107 2.556 -10.200 -7.224 1.00 31.23 H new ATOM 0 HZ3 TRP A 107 5.698 -7.881 -5.405 1.00 70.33 H new ATOM 0 HH2 TRP A 107 3.667 -9.292 -5.183 1.00 74.35 H new