USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 GLN : amide:sc= -0.488 K(o=-0.49,f=-1.6) USER MOD Single : A 19 HIS : no HE2:sc= -11.8! C(o=-12!,f=-9.9!) USER MOD Single : A 23 HIS : no HD1:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00125 USER MOD Single : A 29 SER OG : rot -150:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 23:sc= -0.398 USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.688 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0299 (180deg=-0.331) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 128:sc= -2.76 USER MOD Single : A 57 MET CE :methyl 169:sc= -1.1 (180deg=-1.18) USER MOD Single : A 58 SER OG : rot 103:sc= 1.24 USER MOD Single : A 60 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.12) USER MOD Single : A 61 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.32) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0525 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 77 SER OG : rot 66:sc= 0.591 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 169:sc= -0.893 USER MOD Single : A 89 TYR OH : rot 0:sc= 0.615 USER MOD Single : A 90 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.9) USER MOD Single : A 94 CYS SG : rot -128:sc= 0.306 USER MOD Single : A 97 ASN : amide:sc= -9.38! C(o=-9.4!,f=-20!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.818 K(o=-0.82,f=-2.9!) USER MOD Single : A 105 SER OG : rot 175:sc= -1.18 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 77:sc= 0.277 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 17.786 -14.730 0.531 1.00 0.00 N ATOM 212 CA GLN A 16 16.416 -15.153 0.296 1.00 0.00 C ATOM 213 C GLN A 16 15.530 -13.941 -0.002 1.00 0.00 C ATOM 214 O GLN A 16 15.828 -12.829 0.430 1.00 0.00 O ATOM 215 CB GLN A 16 15.875 -15.948 1.485 1.00 0.00 C ATOM 216 CG GLN A 16 15.455 -17.356 1.058 1.00 0.00 C ATOM 217 CD GLN A 16 16.650 -18.145 0.518 1.00 0.00 C ATOM 218 OE1 GLN A 16 17.011 -18.056 -0.644 1.00 0.00 O ATOM 219 NE2 GLN A 16 17.241 -18.919 1.423 1.00 0.00 N ATOM 0 HA GLN A 16 16.404 -15.810 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.637 -16.012 2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 16 15.022 -15.426 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.021 -17.883 1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.681 -17.292 0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.887 -18.947 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.048 -19.485 1.161 1.00 0.00 H new ATOM 228 N LEU A 17 14.458 -14.198 -0.737 1.00 0.00 N ATOM 229 CA LEU A 17 13.527 -13.143 -1.098 1.00 0.00 C ATOM 230 C LEU A 17 12.567 -12.896 0.068 1.00 0.00 C ATOM 231 O LEU A 17 12.100 -13.841 0.703 1.00 0.00 O ATOM 232 CB LEU A 17 12.823 -13.475 -2.415 1.00 0.00 C ATOM 233 CG LEU A 17 13.720 -13.567 -3.650 1.00 0.00 C ATOM 234 CD1 LEU A 17 13.025 -14.332 -4.778 1.00 0.00 C ATOM 235 CD2 LEU A 17 14.179 -12.178 -4.098 1.00 0.00 C ATOM 0 H LEU A 17 14.214 -15.122 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 17 14.060 -12.209 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.303 -14.426 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.062 -12.716 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 17 14.613 -14.131 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.685 -14.382 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.790 -15.342 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.104 -13.817 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.816 -12.271 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.309 -11.569 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.740 -11.703 -3.293 1.00 0.00 H new ATOM 247 N PRO A 18 12.292 -11.588 0.320 1.00 0.00 N ATOM 248 CA PRO A 18 11.396 -11.206 1.398 1.00 0.00 C ATOM 249 C PRO A 18 9.938 -11.474 1.020 1.00 0.00 C ATOM 250 O PRO A 18 9.502 -11.122 -0.075 1.00 0.00 O ATOM 251 CB PRO A 18 11.684 -9.734 1.645 1.00 0.00 C ATOM 252 CG PRO A 18 12.390 -9.232 0.396 1.00 0.00 C ATOM 253 CD PRO A 18 12.826 -10.443 -0.412 1.00 0.00 C ATOM 0 HA PRO A 18 11.557 -11.788 2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.762 -9.180 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.310 -9.601 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.723 -8.601 -0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.252 -8.622 0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.433 -10.404 -1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.912 -10.496 -0.492 1.00 0.00 H new ATOM 261 N HIS A 19 9.225 -12.096 1.947 1.00 0.00 N ATOM 262 CA HIS A 19 7.825 -12.416 1.725 1.00 0.00 C ATOM 263 C HIS A 19 7.015 -11.123 1.607 1.00 0.00 C ATOM 264 O HIS A 19 7.487 -10.053 1.990 1.00 0.00 O ATOM 265 CB HIS A 19 7.300 -13.346 2.820 1.00 0.00 C ATOM 266 CG HIS A 19 6.510 -12.642 3.898 1.00 0.00 C ATOM 267 ND1 HIS A 19 5.205 -12.979 4.212 1.00 0.00 N ATOM 268 CD2 HIS A 19 6.855 -11.619 4.731 1.00 0.00 C ATOM 269 CE1 HIS A 19 4.793 -12.187 5.191 1.00 0.00 C ATOM 270 NE2 HIS A 19 5.816 -11.344 5.510 1.00 0.00 N ATOM 0 H HIS A 19 9.590 -12.387 2.854 1.00 0.00 H new ATOM 0 HA HIS A 19 7.717 -12.958 0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 19 6.671 -14.110 2.363 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.143 -13.861 3.280 1.00 0.00 H new ATOM 0 HD1 HIS A 19 4.654 -13.712 3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 19 7.811 -11.118 4.753 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.818 -12.206 5.655 1.00 0.00 H new ATOM 278 N ALA A 20 5.810 -11.264 1.076 1.00 0.00 N ATOM 279 CA ALA A 20 4.930 -10.120 0.903 1.00 0.00 C ATOM 280 C ALA A 20 4.534 -9.574 2.276 1.00 0.00 C ATOM 281 O ALA A 20 4.701 -10.252 3.289 1.00 0.00 O ATOM 282 CB ALA A 20 3.716 -10.531 0.067 1.00 0.00 C ATOM 0 H ALA A 20 5.422 -12.153 0.760 1.00 0.00 H new ATOM 0 HA ALA A 20 5.441 -9.321 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.056 -9.673 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.049 -10.883 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.177 -11.330 0.577 1.00 0.00 H new ATOM 288 N PRO A 21 4.003 -8.322 2.266 1.00 0.00 N ATOM 289 CA PRO A 21 3.582 -7.678 3.498 1.00 0.00 C ATOM 290 C PRO A 21 2.265 -8.269 4.005 1.00 0.00 C ATOM 291 O PRO A 21 1.464 -8.772 3.219 1.00 0.00 O ATOM 292 CB PRO A 21 3.476 -6.201 3.154 1.00 0.00 C ATOM 293 CG PRO A 21 3.389 -6.132 1.638 1.00 0.00 C ATOM 294 CD PRO A 21 3.790 -7.490 1.085 1.00 0.00 C ATOM 0 HA PRO A 21 4.286 -7.834 4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.596 -5.754 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.343 -5.651 3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.377 -5.876 1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.048 -5.354 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.010 -7.903 0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.695 -7.420 0.481 1.00 0.00 H new ATOM 302 N GLU A 22 2.083 -8.190 5.314 1.00 0.00 N ATOM 303 CA GLU A 22 0.877 -8.711 5.935 1.00 0.00 C ATOM 304 C GLU A 22 0.013 -7.564 6.463 1.00 0.00 C ATOM 305 O GLU A 22 0.388 -6.398 6.353 1.00 0.00 O ATOM 306 CB GLU A 22 1.218 -9.699 7.052 1.00 0.00 C ATOM 307 CG GLU A 22 1.073 -11.144 6.569 1.00 0.00 C ATOM 308 CD GLU A 22 0.430 -12.020 7.646 1.00 0.00 C ATOM 309 OE1 GLU A 22 1.181 -12.463 8.542 1.00 0.00 O ATOM 310 OE2 GLU A 22 -0.799 -12.228 7.549 1.00 0.00 O ATOM 0 H GLU A 22 2.751 -7.773 5.963 1.00 0.00 H new ATOM 0 HA GLU A 22 0.307 -9.251 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.238 -9.527 7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.561 -9.529 7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.466 -11.170 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.053 -11.544 6.307 1.00 0.00 H new ATOM 317 N HIS A 23 -1.129 -7.935 7.024 1.00 0.00 N ATOM 318 CA HIS A 23 -2.049 -6.952 7.569 1.00 0.00 C ATOM 319 C HIS A 23 -2.143 -5.755 6.620 1.00 0.00 C ATOM 320 O HIS A 23 -1.972 -4.612 7.038 1.00 0.00 O ATOM 321 CB HIS A 23 -1.640 -6.552 8.988 1.00 0.00 C ATOM 322 CG HIS A 23 -2.754 -6.661 10.002 1.00 0.00 C ATOM 323 ND1 HIS A 23 -3.798 -5.755 10.069 1.00 0.00 N ATOM 324 CD2 HIS A 23 -2.976 -7.578 10.987 1.00 0.00 C ATOM 325 CE1 HIS A 23 -4.605 -6.119 11.054 1.00 0.00 C ATOM 326 NE2 HIS A 23 -4.094 -7.249 11.622 1.00 0.00 N ATOM 0 H HIS A 23 -1.438 -8.903 7.113 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.045 -7.387 7.650 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.809 -7.182 9.307 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.274 -5.525 8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.348 -8.428 11.212 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.509 -5.610 11.355 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.504 -7.757 12.406 1.00 0.00 H new ATOM 334 N PRO A 24 -2.422 -6.069 5.326 1.00 0.00 N ATOM 335 CA PRO A 24 -2.541 -5.033 4.314 1.00 0.00 C ATOM 336 C PRO A 24 -3.865 -4.279 4.454 1.00 0.00 C ATOM 337 O PRO A 24 -4.833 -4.585 3.760 1.00 0.00 O ATOM 338 CB PRO A 24 -2.410 -5.762 2.987 1.00 0.00 C ATOM 339 CG PRO A 24 -2.688 -7.226 3.287 1.00 0.00 C ATOM 340 CD PRO A 24 -2.631 -7.412 4.795 1.00 0.00 C ATOM 0 HA PRO A 24 -1.775 -4.264 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.118 -5.372 2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.413 -5.632 2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.666 -7.515 2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.952 -7.863 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.554 -7.849 5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.820 -8.082 5.081 1.00 0.00 H new ATOM 348 N VAL A 25 -3.864 -3.308 5.356 1.00 0.00 N ATOM 349 CA VAL A 25 -5.054 -2.509 5.595 1.00 0.00 C ATOM 350 C VAL A 25 -4.960 -1.210 4.791 1.00 0.00 C ATOM 351 O VAL A 25 -3.919 -0.556 4.781 1.00 0.00 O ATOM 352 CB VAL A 25 -5.231 -2.271 7.096 1.00 0.00 C ATOM 353 CG1 VAL A 25 -6.641 -1.764 7.408 1.00 0.00 C ATOM 354 CG2 VAL A 25 -4.914 -3.538 7.893 1.00 0.00 C ATOM 0 H VAL A 25 -3.059 -3.057 5.930 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.944 -3.038 5.256 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.523 -1.499 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.740 -1.603 8.481 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.815 -0.825 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.374 -2.503 7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.048 -3.342 8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.586 -4.339 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.883 -3.837 7.706 1.00 0.00 H new ATOM 364 N ALA A 26 -6.063 -0.877 4.136 1.00 0.00 N ATOM 365 CA ALA A 26 -6.118 0.331 3.331 1.00 0.00 C ATOM 366 C ALA A 26 -7.478 1.006 3.525 1.00 0.00 C ATOM 367 O ALA A 26 -8.493 0.519 3.030 1.00 0.00 O ATOM 368 CB ALA A 26 -5.845 -0.018 1.866 1.00 0.00 C ATOM 0 H ALA A 26 -6.925 -1.423 4.147 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.350 1.037 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.886 0.889 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.856 -0.468 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.598 -0.723 1.514 1.00 0.00 H new ATOM 374 N THR A 27 -7.453 2.117 4.247 1.00 0.00 N ATOM 375 CA THR A 27 -8.671 2.864 4.513 1.00 0.00 C ATOM 376 C THR A 27 -8.507 4.322 4.079 1.00 0.00 C ATOM 377 O THR A 27 -7.390 4.787 3.861 1.00 0.00 O ATOM 378 CB THR A 27 -9.009 2.705 5.996 1.00 0.00 C ATOM 379 OG1 THR A 27 -7.750 2.447 6.613 1.00 0.00 O ATOM 380 CG2 THR A 27 -9.828 1.444 6.278 1.00 0.00 C ATOM 0 H THR A 27 -6.609 2.518 4.656 1.00 0.00 H new ATOM 0 HA THR A 27 -9.508 2.477 3.932 1.00 0.00 H new ATOM 0 HB THR A 27 -9.561 3.580 6.338 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.876 2.332 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.041 1.379 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.765 1.487 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.262 0.566 5.967 1.00 0.00 H new ATOM 388 N LEU A 28 -9.638 5.003 3.968 1.00 0.00 N ATOM 389 CA LEU A 28 -9.635 6.399 3.565 1.00 0.00 C ATOM 390 C LEU A 28 -8.803 7.211 4.561 1.00 0.00 C ATOM 391 O LEU A 28 -8.495 6.734 5.652 1.00 0.00 O ATOM 392 CB LEU A 28 -11.066 6.913 3.398 1.00 0.00 C ATOM 393 CG LEU A 28 -11.559 7.067 1.958 1.00 0.00 C ATOM 394 CD1 LEU A 28 -12.986 7.617 1.923 1.00 0.00 C ATOM 395 CD2 LEU A 28 -10.594 7.924 1.136 1.00 0.00 C ATOM 0 H LEU A 28 -10.563 4.614 4.150 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.165 6.512 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.739 6.233 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.143 7.881 3.893 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.583 6.079 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.312 7.717 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.652 6.933 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.012 8.593 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.968 8.017 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.514 8.914 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.612 7.452 1.120 1.00 0.00 H new ATOM 407 N SER A 29 -8.463 8.424 4.149 1.00 0.00 N ATOM 408 CA SER A 29 -7.674 9.306 4.991 1.00 0.00 C ATOM 409 C SER A 29 -8.595 10.232 5.787 1.00 0.00 C ATOM 410 O SER A 29 -9.237 11.114 5.219 1.00 0.00 O ATOM 411 CB SER A 29 -6.688 10.126 4.157 1.00 0.00 C ATOM 412 OG SER A 29 -5.399 9.521 4.106 1.00 0.00 O ATOM 0 H SER A 29 -8.720 8.816 3.243 1.00 0.00 H new ATOM 0 HA SER A 29 -7.099 8.693 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.076 10.239 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.602 11.127 4.579 1.00 0.00 H new ATOM 0 HG SER A 29 -4.715 10.216 4.012 1.00 0.00 H new ATOM 418 N THR A 30 -8.629 10.002 7.092 1.00 0.00 N ATOM 419 CA THR A 30 -9.461 10.805 7.972 1.00 0.00 C ATOM 420 C THR A 30 -8.729 12.087 8.373 1.00 0.00 C ATOM 421 O THR A 30 -9.167 12.799 9.276 1.00 0.00 O ATOM 422 CB THR A 30 -9.863 9.936 9.165 1.00 0.00 C ATOM 423 OG1 THR A 30 -8.649 9.758 9.890 1.00 0.00 O ATOM 424 CG2 THR A 30 -10.259 8.518 8.750 1.00 0.00 C ATOM 0 H THR A 30 -8.094 9.271 7.561 1.00 0.00 H new ATOM 0 HA THR A 30 -10.371 11.131 7.468 1.00 0.00 H new ATOM 0 HB THR A 30 -10.694 10.406 9.692 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.819 9.206 10.682 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.535 7.944 9.634 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.107 8.562 8.067 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.417 8.036 8.253 1.00 0.00 H new ATOM 432 N VAL A 31 -7.628 12.343 7.683 1.00 0.00 N ATOM 433 CA VAL A 31 -6.831 13.527 7.957 1.00 0.00 C ATOM 434 C VAL A 31 -6.612 14.300 6.655 1.00 0.00 C ATOM 435 O VAL A 31 -6.827 15.511 6.604 1.00 0.00 O ATOM 436 CB VAL A 31 -5.523 13.130 8.644 1.00 0.00 C ATOM 437 CG1 VAL A 31 -5.794 12.390 9.955 1.00 0.00 C ATOM 438 CG2 VAL A 31 -4.646 12.291 7.712 1.00 0.00 C ATOM 0 H VAL A 31 -7.269 11.751 6.934 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.355 14.190 8.645 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.980 14.044 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.847 12.119 10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.359 13.036 10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.369 11.487 9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.723 12.022 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.180 11.384 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.409 12.868 6.818 1.00 0.00 H new ATOM 448 N GLU A 32 -6.188 13.570 5.634 1.00 0.00 N ATOM 449 CA GLU A 32 -5.937 14.173 4.336 1.00 0.00 C ATOM 450 C GLU A 32 -7.070 13.832 3.365 1.00 0.00 C ATOM 451 O GLU A 32 -7.455 12.671 3.239 1.00 0.00 O ATOM 452 CB GLU A 32 -4.584 13.729 3.777 1.00 0.00 C ATOM 453 CG GLU A 32 -3.658 14.928 3.565 1.00 0.00 C ATOM 454 CD GLU A 32 -4.245 15.900 2.540 1.00 0.00 C ATOM 455 OE1 GLU A 32 -4.362 15.485 1.366 1.00 0.00 O ATOM 456 OE2 GLU A 32 -4.565 17.036 2.952 1.00 0.00 O ATOM 0 H GLU A 32 -6.012 12.566 5.679 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.904 15.255 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.118 13.022 4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.731 13.207 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.502 15.444 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.681 14.582 3.226 1.00 0.00 H new ATOM 463 N ARG A 33 -7.571 14.865 2.704 1.00 0.00 N ATOM 464 CA ARG A 33 -8.652 14.689 1.749 1.00 0.00 C ATOM 465 C ARG A 33 -8.128 14.036 0.469 1.00 0.00 C ATOM 466 O ARG A 33 -7.032 14.354 0.009 1.00 0.00 O ATOM 467 CB ARG A 33 -9.302 16.030 1.400 1.00 0.00 C ATOM 468 CG ARG A 33 -10.460 16.341 2.350 1.00 0.00 C ATOM 469 CD ARG A 33 -11.639 15.397 2.105 1.00 0.00 C ATOM 470 NE ARG A 33 -12.759 15.740 3.010 1.00 0.00 N ATOM 471 CZ ARG A 33 -12.829 15.367 4.295 1.00 0.00 C ATOM 472 NH1 ARG A 33 -11.844 14.636 4.834 1.00 0.00 N ATOM 473 NH2 ARG A 33 -13.883 15.724 5.040 1.00 0.00 N ATOM 0 H ARG A 33 -7.248 15.827 2.811 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.400 14.044 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.558 16.824 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.666 16.006 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.123 16.248 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.781 17.373 2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.964 15.470 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.330 14.365 2.271 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.526 16.296 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.042 14.364 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.897 14.352 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.633 16.280 4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.936 15.440 6.018 1.00 0.00 H new ATOM 487 N ARG A 34 -8.935 13.135 -0.071 1.00 0.00 N ATOM 488 CA ARG A 34 -8.566 12.434 -1.290 1.00 0.00 C ATOM 489 C ARG A 34 -7.296 11.610 -1.064 1.00 0.00 C ATOM 490 O ARG A 34 -6.520 11.393 -1.994 1.00 0.00 O ATOM 491 CB ARG A 34 -8.331 13.416 -2.440 1.00 0.00 C ATOM 492 CG ARG A 34 -9.536 14.340 -2.626 1.00 0.00 C ATOM 493 CD ARG A 34 -9.481 15.046 -3.983 1.00 0.00 C ATOM 494 NE ARG A 34 -8.344 15.992 -4.015 1.00 0.00 N ATOM 495 CZ ARG A 34 -8.148 16.899 -4.982 1.00 0.00 C ATOM 496 NH1 ARG A 34 -9.012 16.987 -6.002 1.00 0.00 N ATOM 497 NH2 ARG A 34 -7.088 17.717 -4.929 1.00 0.00 N ATOM 0 H ARG A 34 -9.843 12.874 0.313 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.390 11.772 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.440 14.011 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.145 12.865 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.457 13.762 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.557 15.081 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.376 14.311 -4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.414 15.580 -4.163 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.667 15.951 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.819 16.364 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.863 17.677 -6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.430 17.649 -4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.939 18.407 -5.665 1.00 0.00 H new ATOM 511 N ALA A 35 -7.124 11.174 0.175 1.00 0.00 N ATOM 512 CA ALA A 35 -5.963 10.379 0.534 1.00 0.00 C ATOM 513 C ALA A 35 -6.425 9.062 1.160 1.00 0.00 C ATOM 514 O ALA A 35 -7.605 8.897 1.466 1.00 0.00 O ATOM 515 CB ALA A 35 -5.061 11.186 1.471 1.00 0.00 C ATOM 0 H ALA A 35 -7.770 11.357 0.943 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.377 10.134 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.190 10.589 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.736 12.097 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.614 11.448 2.373 1.00 0.00 H new ATOM 521 N ILE A 36 -5.471 8.158 1.332 1.00 0.00 N ATOM 522 CA ILE A 36 -5.766 6.861 1.916 1.00 0.00 C ATOM 523 C ILE A 36 -4.631 6.462 2.860 1.00 0.00 C ATOM 524 O ILE A 36 -3.460 6.685 2.558 1.00 0.00 O ATOM 525 CB ILE A 36 -6.045 5.831 0.819 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.370 6.126 0.113 1.00 0.00 C ATOM 527 CG2 ILE A 36 -5.999 4.408 1.380 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.608 5.147 -1.038 1.00 0.00 C ATOM 0 H ILE A 36 -4.493 8.299 1.077 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.676 6.910 2.514 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.257 5.908 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.190 6.058 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.363 7.147 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.200 3.695 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.012 4.214 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.752 4.300 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.556 5.379 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.799 5.234 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.639 4.129 -0.649 1.00 0.00 H new ATOM 540 N ASN A 37 -5.018 5.878 3.985 1.00 0.00 N ATOM 541 CA ASN A 37 -4.047 5.446 4.976 1.00 0.00 C ATOM 542 C ASN A 37 -3.668 3.988 4.711 1.00 0.00 C ATOM 543 O ASN A 37 -4.455 3.080 4.977 1.00 0.00 O ATOM 544 CB ASN A 37 -4.625 5.535 6.390 1.00 0.00 C ATOM 545 CG ASN A 37 -3.731 6.382 7.296 1.00 0.00 C ATOM 546 OD1 ASN A 37 -2.752 5.918 7.856 1.00 0.00 O ATOM 547 ND2 ASN A 37 -4.121 7.649 7.410 1.00 0.00 N ATOM 0 H ASN A 37 -5.990 5.694 4.232 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.177 6.098 4.901 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.624 5.969 6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.728 4.534 6.808 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.590 8.296 7.993 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.951 7.974 6.914 1.00 0.00 H new ATOM 554 N LEU A 38 -2.464 3.808 4.189 1.00 0.00 N ATOM 555 CA LEU A 38 -1.971 2.475 3.885 1.00 0.00 C ATOM 556 C LEU A 38 -1.132 1.966 5.058 1.00 0.00 C ATOM 557 O LEU A 38 -0.185 2.627 5.482 1.00 0.00 O ATOM 558 CB LEU A 38 -1.227 2.471 2.548 1.00 0.00 C ATOM 559 CG LEU A 38 -1.444 1.242 1.663 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.355 0.194 1.902 1.00 0.00 C ATOM 561 CD2 LEU A 38 -2.848 0.666 1.860 1.00 0.00 C ATOM 0 H LEU A 38 -1.815 4.563 3.969 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.802 1.780 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.526 3.356 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.160 2.566 2.748 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.367 1.553 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.533 -0.669 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.620 0.623 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.375 -0.120 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.976 -0.207 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.978 0.374 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.591 1.420 1.599 1.00 0.00 H new ATOM 573 N THR A 39 -1.508 0.794 5.550 1.00 0.00 N ATOM 574 CA THR A 39 -0.802 0.189 6.666 1.00 0.00 C ATOM 575 C THR A 39 -0.664 -1.320 6.454 1.00 0.00 C ATOM 576 O THR A 39 -1.660 -2.018 6.269 1.00 0.00 O ATOM 577 CB THR A 39 -1.544 0.557 7.951 1.00 0.00 C ATOM 578 OG1 THR A 39 -2.851 0.022 7.763 1.00 0.00 O ATOM 579 CG2 THR A 39 -1.775 2.064 8.083 1.00 0.00 C ATOM 0 H THR A 39 -2.293 0.248 5.196 1.00 0.00 H new ATOM 0 HA THR A 39 0.217 0.569 6.743 1.00 0.00 H new ATOM 0 HB THR A 39 -0.978 0.199 8.811 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.816 -0.703 7.105 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.305 2.271 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.815 2.580 8.091 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.369 2.416 7.240 1.00 0.00 H new ATOM 587 N TRP A 40 0.578 -1.780 6.489 1.00 0.00 N ATOM 588 CA TRP A 40 0.858 -3.193 6.304 1.00 0.00 C ATOM 589 C TRP A 40 1.788 -3.643 7.432 1.00 0.00 C ATOM 590 O TRP A 40 2.171 -2.840 8.283 1.00 0.00 O ATOM 591 CB TRP A 40 1.435 -3.460 4.912 1.00 0.00 C ATOM 592 CG TRP A 40 2.747 -2.725 4.631 1.00 0.00 C ATOM 593 CD1 TRP A 40 3.995 -3.210 4.699 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.892 -1.346 4.231 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.930 -2.248 4.375 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.238 -1.079 4.080 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.919 -0.358 4.003 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.732 0.174 3.697 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.429 0.888 3.621 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.780 1.174 3.465 1.00 0.00 C ATOM 0 H TRP A 40 1.402 -1.199 6.643 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.060 -3.778 6.356 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.599 -4.531 4.797 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.699 -3.168 4.163 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.238 -4.226 4.973 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.942 -2.372 4.356 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.861 -0.545 4.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.790 0.359 3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.723 1.683 3.434 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.094 2.163 3.166 1.00 0.00 H new ATOM 611 N THR A 41 2.126 -4.923 7.403 1.00 0.00 N ATOM 612 CA THR A 41 3.004 -5.489 8.413 1.00 0.00 C ATOM 613 C THR A 41 4.414 -5.677 7.849 1.00 0.00 C ATOM 614 O THR A 41 4.597 -5.742 6.635 1.00 0.00 O ATOM 615 CB THR A 41 2.372 -6.789 8.915 1.00 0.00 C ATOM 616 OG1 THR A 41 1.289 -6.355 9.732 1.00 0.00 O ATOM 617 CG2 THR A 41 3.285 -7.550 9.879 1.00 0.00 C ATOM 0 H THR A 41 1.808 -5.585 6.695 1.00 0.00 H new ATOM 0 HA THR A 41 3.115 -4.816 9.263 1.00 0.00 H new ATOM 0 HB THR A 41 2.130 -7.427 8.065 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.131 -7.012 10.442 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.789 -8.464 10.205 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.217 -7.803 9.374 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.500 -6.925 10.746 1.00 0.00 H new ATOM 625 N LYS A 42 5.374 -5.759 8.758 1.00 0.00 N ATOM 626 CA LYS A 42 6.762 -5.939 8.367 1.00 0.00 C ATOM 627 C LYS A 42 6.988 -7.396 7.959 1.00 0.00 C ATOM 628 O LYS A 42 6.909 -8.297 8.793 1.00 0.00 O ATOM 629 CB LYS A 42 7.698 -5.458 9.478 1.00 0.00 C ATOM 630 CG LYS A 42 8.970 -4.840 8.894 1.00 0.00 C ATOM 631 CD LYS A 42 9.968 -5.924 8.483 1.00 0.00 C ATOM 632 CE LYS A 42 11.344 -5.321 8.191 1.00 0.00 C ATOM 633 NZ LYS A 42 11.981 -4.853 9.443 1.00 0.00 N ATOM 0 H LYS A 42 5.218 -5.704 9.765 1.00 0.00 H new ATOM 0 HA LYS A 42 6.996 -5.325 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.184 -4.724 10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.960 -6.295 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.717 -4.227 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.428 -4.179 9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.053 -6.665 9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.601 -6.445 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.979 -6.065 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.243 -4.489 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.007 -4.766 9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.589 -3.927 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.795 -5.537 10.204 1.00 0.00 H new ATOM 647 N PRO A 43 7.273 -7.587 6.643 1.00 0.00 N ATOM 648 CA PRO A 43 7.511 -8.919 6.115 1.00 0.00 C ATOM 649 C PRO A 43 8.893 -9.432 6.524 1.00 0.00 C ATOM 650 O PRO A 43 9.828 -8.648 6.682 1.00 0.00 O ATOM 651 CB PRO A 43 7.350 -8.780 4.610 1.00 0.00 C ATOM 652 CG PRO A 43 7.488 -7.296 4.311 1.00 0.00 C ATOM 653 CD PRO A 43 7.375 -6.543 5.627 1.00 0.00 C ATOM 0 HA PRO A 43 6.815 -9.659 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.109 -9.357 4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.380 -9.155 4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.446 -7.090 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.711 -6.972 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.245 -5.909 5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.500 -5.893 5.638 1.00 0.00 H new ATOM 661 N PHE A 44 8.979 -10.745 6.683 1.00 0.00 N ATOM 662 CA PHE A 44 10.232 -11.371 7.070 1.00 0.00 C ATOM 663 C PHE A 44 11.280 -11.231 5.964 1.00 0.00 C ATOM 664 O PHE A 44 11.013 -11.550 4.807 1.00 0.00 O ATOM 665 CB PHE A 44 9.939 -12.856 7.293 1.00 0.00 C ATOM 666 CG PHE A 44 11.189 -13.714 7.495 1.00 0.00 C ATOM 667 CD1 PHE A 44 11.998 -13.997 6.439 1.00 0.00 C ATOM 668 CD2 PHE A 44 11.492 -14.193 8.731 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.159 -14.792 6.627 1.00 0.00 C ATOM 670 CE2 PHE A 44 12.653 -14.989 8.920 1.00 0.00 C ATOM 671 CZ PHE A 44 13.462 -15.272 7.864 1.00 0.00 C ATOM 0 H PHE A 44 8.202 -11.392 6.551 1.00 0.00 H new ATOM 0 HA PHE A 44 10.625 -10.894 7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.294 -12.961 8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.383 -13.238 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.757 -13.617 5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.849 -13.968 9.569 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.802 -15.016 5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.893 -15.369 9.902 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.345 -15.878 8.007 1.00 0.00 H new ATOM 681 N ASP A 45 12.451 -10.753 6.360 1.00 0.00 N ATOM 682 CA ASP A 45 13.540 -10.566 5.417 1.00 0.00 C ATOM 683 C ASP A 45 14.224 -11.911 5.162 1.00 0.00 C ATOM 684 O ASP A 45 14.577 -12.620 6.102 1.00 0.00 O ATOM 685 CB ASP A 45 14.589 -9.600 5.972 1.00 0.00 C ATOM 686 CG ASP A 45 15.477 -10.176 7.077 1.00 0.00 C ATOM 687 OD1 ASP A 45 14.904 -10.598 8.104 1.00 0.00 O ATOM 688 OD2 ASP A 45 16.710 -10.180 6.870 1.00 0.00 O ATOM 0 H ASP A 45 12.669 -10.490 7.321 1.00 0.00 H new ATOM 0 HA ASP A 45 13.123 -10.156 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.225 -9.267 5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.080 -8.717 6.359 1.00 0.00 H new ATOM 693 N GLY A 46 14.390 -12.221 3.884 1.00 0.00 N ATOM 694 CA GLY A 46 15.024 -13.468 3.493 1.00 0.00 C ATOM 695 C GLY A 46 16.381 -13.632 4.181 1.00 0.00 C ATOM 696 O GLY A 46 16.773 -14.744 4.532 1.00 0.00 O ATOM 0 H GLY A 46 14.096 -11.630 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.377 -14.306 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.156 -13.490 2.411 1.00 0.00 H new ATOM 700 N ASN A 47 17.061 -12.508 4.354 1.00 0.00 N ATOM 701 CA ASN A 47 18.365 -12.513 4.993 1.00 0.00 C ATOM 702 C ASN A 47 18.966 -11.107 4.928 1.00 0.00 C ATOM 703 O ASN A 47 19.651 -10.677 5.855 1.00 0.00 O ATOM 704 CB ASN A 47 19.324 -13.470 4.283 1.00 0.00 C ATOM 705 CG ASN A 47 20.123 -14.296 5.292 1.00 0.00 C ATOM 706 OD1 ASN A 47 20.484 -13.835 6.363 1.00 0.00 O ATOM 707 ND2 ASN A 47 20.379 -15.539 4.894 1.00 0.00 N ATOM 0 H ASN A 47 16.733 -11.587 4.062 1.00 0.00 H new ATOM 0 HA ASN A 47 18.232 -12.836 6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.761 -14.135 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.007 -12.903 3.650 1.00 0.00 H new ATOM 0 HD21 ASN A 47 20.907 -16.169 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 47 20.048 -15.862 3.985 1.00 0.00 H new ATOM 714 N SER A 48 18.688 -10.430 3.824 1.00 0.00 N ATOM 715 CA SER A 48 19.192 -9.082 3.625 1.00 0.00 C ATOM 716 C SER A 48 18.142 -8.060 4.066 1.00 0.00 C ATOM 717 O SER A 48 16.954 -8.372 4.124 1.00 0.00 O ATOM 718 CB SER A 48 19.579 -8.848 2.163 1.00 0.00 C ATOM 719 OG SER A 48 20.988 -8.716 1.998 1.00 0.00 O ATOM 0 H SER A 48 18.120 -10.790 3.057 1.00 0.00 H new ATOM 0 HA SER A 48 20.088 -8.959 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.219 -9.678 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 48 19.085 -7.948 1.797 1.00 0.00 H new ATOM 0 HG SER A 48 21.194 -8.570 1.051 1.00 0.00 H new ATOM 725 N PRO A 49 18.632 -6.829 4.374 1.00 0.00 N ATOM 726 CA PRO A 49 17.749 -5.760 4.808 1.00 0.00 C ATOM 727 C PRO A 49 16.959 -5.189 3.629 1.00 0.00 C ATOM 728 O PRO A 49 17.468 -5.118 2.512 1.00 0.00 O ATOM 729 CB PRO A 49 18.663 -4.736 5.462 1.00 0.00 C ATOM 730 CG PRO A 49 20.064 -5.048 4.960 1.00 0.00 C ATOM 731 CD PRO A 49 20.034 -6.425 4.317 1.00 0.00 C ATOM 0 HA PRO A 49 16.988 -6.102 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.369 -3.722 5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 49 18.613 -4.805 6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.387 -4.297 4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.778 -5.027 5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.395 -6.390 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.671 -7.127 4.855 1.00 0.00 H new ATOM 739 N LEU A 50 15.727 -4.796 3.919 1.00 0.00 N ATOM 740 CA LEU A 50 14.861 -4.234 2.896 1.00 0.00 C ATOM 741 C LEU A 50 15.544 -3.017 2.269 1.00 0.00 C ATOM 742 O LEU A 50 16.255 -2.280 2.950 1.00 0.00 O ATOM 743 CB LEU A 50 13.476 -3.932 3.473 1.00 0.00 C ATOM 744 CG LEU A 50 12.712 -5.129 4.042 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.379 -4.689 4.651 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.527 -6.216 2.982 1.00 0.00 C ATOM 0 H LEU A 50 15.308 -4.856 4.847 1.00 0.00 H new ATOM 0 HA LEU A 50 14.697 -4.956 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.587 -3.188 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.869 -3.477 2.690 1.00 0.00 H new ATOM 0 HG LEU A 50 13.306 -5.562 4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.856 -5.559 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.564 -3.978 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.766 -4.217 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.981 -7.055 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.965 -5.811 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.503 -6.557 2.636 1.00 0.00 H new ATOM 758 N ILE A 51 15.304 -2.844 0.977 1.00 0.00 N ATOM 759 CA ILE A 51 15.887 -1.729 0.251 1.00 0.00 C ATOM 760 C ILE A 51 14.811 -0.670 0.001 1.00 0.00 C ATOM 761 O ILE A 51 15.011 0.506 0.300 1.00 0.00 O ATOM 762 CB ILE A 51 16.573 -2.221 -1.025 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.949 -2.814 -0.714 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.652 -1.106 -2.070 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.670 -3.230 -1.997 1.00 0.00 C ATOM 0 H ILE A 51 14.714 -3.457 0.415 1.00 0.00 H new ATOM 0 HA ILE A 51 16.669 -1.256 0.844 1.00 0.00 H new ATOM 0 HB ILE A 51 15.967 -3.020 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.551 -2.082 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.837 -3.678 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.144 -1.482 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.646 -0.771 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 51 17.223 -0.269 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.645 -3.648 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 51 18.077 -3.980 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.802 -2.359 -2.639 1.00 0.00 H new ATOM 777 N ARG A 52 13.693 -1.126 -0.546 1.00 0.00 N ATOM 778 CA ARG A 52 12.585 -0.233 -0.839 1.00 0.00 C ATOM 779 C ARG A 52 11.283 -1.026 -0.964 1.00 0.00 C ATOM 780 O ARG A 52 11.281 -2.248 -0.828 1.00 0.00 O ATOM 781 CB ARG A 52 12.830 0.540 -2.137 1.00 0.00 C ATOM 782 CG ARG A 52 12.579 -0.345 -3.359 1.00 0.00 C ATOM 783 CD ARG A 52 12.821 0.428 -4.656 1.00 0.00 C ATOM 784 NE ARG A 52 14.265 0.435 -4.979 1.00 0.00 N ATOM 785 CZ ARG A 52 14.893 -0.552 -5.633 1.00 0.00 C ATOM 786 NH1 ARG A 52 14.208 -1.630 -6.038 1.00 0.00 N ATOM 787 NH2 ARG A 52 16.207 -0.461 -5.883 1.00 0.00 N ATOM 0 H ARG A 52 13.531 -2.102 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 52 12.504 0.477 -0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.176 1.411 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.855 0.910 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.234 -1.215 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.554 -0.716 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.260 -0.029 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.458 1.451 -4.553 1.00 0.00 H new ATOM 0 HE ARG A 52 14.817 1.241 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.208 -1.700 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.686 -2.381 -6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.729 0.360 -5.575 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.685 -1.212 -6.381 1.00 0.00 H new ATOM 801 N TYR A 53 10.206 -0.297 -1.222 1.00 0.00 N ATOM 802 CA TYR A 53 8.900 -0.918 -1.367 1.00 0.00 C ATOM 803 C TYR A 53 8.173 -0.383 -2.603 1.00 0.00 C ATOM 804 O TYR A 53 8.190 0.819 -2.866 1.00 0.00 O ATOM 805 CB TYR A 53 8.108 -0.530 -0.117 1.00 0.00 C ATOM 806 CG TYR A 53 8.043 -1.630 0.944 1.00 0.00 C ATOM 807 CD1 TYR A 53 7.114 -2.644 0.832 1.00 0.00 C ATOM 808 CD2 TYR A 53 8.915 -1.609 2.015 1.00 0.00 C ATOM 809 CE1 TYR A 53 7.052 -3.679 1.830 1.00 0.00 C ATOM 810 CE2 TYR A 53 8.854 -2.645 3.013 1.00 0.00 C ATOM 811 CZ TYR A 53 7.925 -3.629 2.872 1.00 0.00 C ATOM 812 OH TYR A 53 7.868 -4.607 3.815 1.00 0.00 O ATOM 0 H TYR A 53 10.211 0.717 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 53 8.999 -1.997 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.557 0.360 0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.093 -0.262 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.433 -2.661 -0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.642 -0.816 2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.329 -4.477 1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.531 -2.641 3.855 1.00 0.00 H new ATOM 0 HH TYR A 53 8.760 -4.992 3.941 1.00 0.00 H new ATOM 822 N ILE A 54 7.552 -1.301 -3.328 1.00 0.00 N ATOM 823 CA ILE A 54 6.821 -0.937 -4.530 1.00 0.00 C ATOM 824 C ILE A 54 5.326 -1.169 -4.301 1.00 0.00 C ATOM 825 O ILE A 54 4.850 -2.300 -4.381 1.00 0.00 O ATOM 826 CB ILE A 54 7.380 -1.682 -5.744 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.909 -1.712 -5.712 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.846 -1.085 -7.047 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.463 -2.620 -6.812 1.00 0.00 C ATOM 0 H ILE A 54 7.540 -2.297 -3.106 1.00 0.00 H new ATOM 0 HA ILE A 54 6.951 0.123 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 54 7.036 -2.715 -5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.299 -0.702 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.249 -2.065 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.259 -1.633 -7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.759 -1.159 -7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.140 -0.037 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.552 -2.623 -6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.091 -3.634 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.141 -2.250 -7.786 1.00 0.00 H new ATOM 841 N LEU A 55 4.627 -0.079 -4.022 1.00 0.00 N ATOM 842 CA LEU A 55 3.195 -0.149 -3.781 1.00 0.00 C ATOM 843 C LEU A 55 2.452 -0.005 -5.111 1.00 0.00 C ATOM 844 O LEU A 55 2.542 1.030 -5.768 1.00 0.00 O ATOM 845 CB LEU A 55 2.778 0.880 -2.729 1.00 0.00 C ATOM 846 CG LEU A 55 1.272 1.082 -2.549 1.00 0.00 C ATOM 847 CD1 LEU A 55 0.742 0.244 -1.384 1.00 0.00 C ATOM 848 CD2 LEU A 55 0.933 2.566 -2.388 1.00 0.00 C ATOM 0 H LEU A 55 5.025 0.858 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 55 2.925 -1.120 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.202 0.582 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.225 1.839 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 55 0.770 0.733 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.331 0.406 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.932 -0.811 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.246 0.540 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.143 2.682 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.446 2.963 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.255 3.111 -3.275 1.00 0.00 H new ATOM 860 N GLU A 56 1.733 -1.060 -5.466 1.00 0.00 N ATOM 861 CA GLU A 56 0.974 -1.065 -6.705 1.00 0.00 C ATOM 862 C GLU A 56 -0.518 -0.890 -6.415 1.00 0.00 C ATOM 863 O GLU A 56 -1.126 -1.724 -5.746 1.00 0.00 O ATOM 864 CB GLU A 56 1.231 -2.346 -7.501 1.00 0.00 C ATOM 865 CG GLU A 56 2.284 -2.115 -8.587 1.00 0.00 C ATOM 866 CD GLU A 56 3.657 -1.839 -7.970 1.00 0.00 C ATOM 867 OE1 GLU A 56 3.741 -0.873 -7.181 1.00 0.00 O ATOM 868 OE2 GLU A 56 4.591 -2.601 -8.300 1.00 0.00 O ATOM 0 H GLU A 56 1.660 -1.917 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 56 1.307 -0.225 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.565 -3.136 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.302 -2.688 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.342 -2.990 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.987 -1.274 -9.213 1.00 0.00 H new ATOM 875 N MET A 57 -1.066 0.200 -6.932 1.00 0.00 N ATOM 876 CA MET A 57 -2.475 0.495 -6.736 1.00 0.00 C ATOM 877 C MET A 57 -3.289 0.131 -7.979 1.00 0.00 C ATOM 878 O MET A 57 -2.832 0.325 -9.105 1.00 0.00 O ATOM 879 CB MET A 57 -2.648 1.984 -6.431 1.00 0.00 C ATOM 880 CG MET A 57 -4.129 2.359 -6.349 1.00 0.00 C ATOM 881 SD MET A 57 -4.302 4.126 -6.170 1.00 0.00 S ATOM 882 CE MET A 57 -3.997 4.640 -7.852 1.00 0.00 C ATOM 0 H MET A 57 -0.559 0.890 -7.487 1.00 0.00 H new ATOM 0 HA MET A 57 -2.838 -0.101 -5.899 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.155 2.225 -5.489 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.162 2.576 -7.206 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.648 2.024 -7.247 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.595 1.852 -5.504 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.256 5.693 -7.963 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.943 4.499 -8.090 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.606 4.043 -8.531 1.00 0.00 H new ATOM 892 N SER A 58 -4.482 -0.392 -7.734 1.00 0.00 N ATOM 893 CA SER A 58 -5.364 -0.785 -8.820 1.00 0.00 C ATOM 894 C SER A 58 -6.719 -0.089 -8.671 1.00 0.00 C ATOM 895 O SER A 58 -7.506 -0.436 -7.792 1.00 0.00 O ATOM 896 CB SER A 58 -5.549 -2.303 -8.857 1.00 0.00 C ATOM 897 OG SER A 58 -6.808 -2.675 -9.410 1.00 0.00 O ATOM 0 H SER A 58 -4.858 -0.553 -6.800 1.00 0.00 H new ATOM 0 HA SER A 58 -4.906 -0.479 -9.761 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.748 -2.751 -9.445 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.465 -2.703 -7.847 1.00 0.00 H new ATOM 0 HG SER A 58 -6.683 -2.981 -10.333 1.00 0.00 H new ATOM 903 N GLU A 59 -6.949 0.880 -9.545 1.00 0.00 N ATOM 904 CA GLU A 59 -8.194 1.628 -9.522 1.00 0.00 C ATOM 905 C GLU A 59 -9.359 0.732 -9.951 1.00 0.00 C ATOM 906 O GLU A 59 -9.239 -0.492 -9.945 1.00 0.00 O ATOM 907 CB GLU A 59 -8.104 2.871 -10.409 1.00 0.00 C ATOM 908 CG GLU A 59 -8.753 4.078 -9.728 1.00 0.00 C ATOM 909 CD GLU A 59 -8.068 5.380 -10.150 1.00 0.00 C ATOM 910 OE1 GLU A 59 -6.818 5.381 -10.175 1.00 0.00 O ATOM 911 OE2 GLU A 59 -8.809 6.344 -10.439 1.00 0.00 O ATOM 0 H GLU A 59 -6.294 1.164 -10.273 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.375 1.963 -8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.059 3.091 -10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.596 2.678 -11.362 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.811 4.120 -9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.692 3.965 -8.646 1.00 0.00 H new ATOM 918 N ASN A 60 -10.458 1.378 -10.312 1.00 0.00 N ATOM 919 CA ASN A 60 -11.643 0.655 -10.743 1.00 0.00 C ATOM 920 C ASN A 60 -11.277 -0.267 -11.907 1.00 0.00 C ATOM 921 O ASN A 60 -11.187 0.176 -13.051 1.00 0.00 O ATOM 922 CB ASN A 60 -12.729 1.618 -11.226 1.00 0.00 C ATOM 923 CG ASN A 60 -13.730 1.920 -10.108 1.00 0.00 C ATOM 924 OD1 ASN A 60 -14.491 1.070 -9.675 1.00 0.00 O ATOM 925 ND2 ASN A 60 -13.687 3.174 -9.668 1.00 0.00 N ATOM 0 H ASN A 60 -10.553 2.394 -10.315 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.018 0.084 -9.893 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.271 2.546 -11.570 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.251 1.185 -12.079 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.316 3.475 -8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.025 3.835 -10.075 1.00 0.00 H new ATOM 932 N ASN A 61 -11.075 -1.534 -11.576 1.00 0.00 N ATOM 933 CA ASN A 61 -10.721 -2.523 -12.580 1.00 0.00 C ATOM 934 C ASN A 61 -9.439 -2.085 -13.291 1.00 0.00 C ATOM 935 O ASN A 61 -9.132 -2.570 -14.379 1.00 0.00 O ATOM 936 CB ASN A 61 -11.823 -2.659 -13.632 1.00 0.00 C ATOM 937 CG ASN A 61 -12.235 -4.122 -13.809 1.00 0.00 C ATOM 938 OD1 ASN A 61 -12.426 -4.860 -12.856 1.00 0.00 O ATOM 939 ND2 ASN A 61 -12.361 -4.498 -15.078 1.00 0.00 N ATOM 0 H ASN A 61 -11.150 -1.898 -10.626 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.583 -3.480 -12.077 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.689 -2.067 -13.335 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.474 -2.258 -14.584 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.633 -5.455 -15.302 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.186 -3.829 -15.828 1.00 0.00 H new ATOM 946 N ALA A 62 -8.726 -1.173 -12.648 1.00 0.00 N ATOM 947 CA ALA A 62 -7.484 -0.663 -13.206 1.00 0.00 C ATOM 948 C ALA A 62 -6.359 -1.662 -12.929 1.00 0.00 C ATOM 949 O ALA A 62 -6.380 -2.363 -11.919 1.00 0.00 O ATOM 950 CB ALA A 62 -7.192 0.720 -12.622 1.00 0.00 C ATOM 0 H ALA A 62 -8.984 -0.773 -11.746 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.566 -0.549 -14.287 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.261 1.102 -13.040 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.007 1.399 -12.870 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.099 0.645 -11.539 1.00 0.00 H new ATOM 956 N PRO A 63 -5.377 -1.697 -13.870 1.00 0.00 N ATOM 957 CA PRO A 63 -4.245 -2.598 -13.738 1.00 0.00 C ATOM 958 C PRO A 63 -3.262 -2.092 -12.681 1.00 0.00 C ATOM 959 O PRO A 63 -3.057 -0.887 -12.544 1.00 0.00 O ATOM 960 CB PRO A 63 -3.636 -2.671 -15.129 1.00 0.00 C ATOM 961 CG PRO A 63 -4.161 -1.457 -15.878 1.00 0.00 C ATOM 962 CD PRO A 63 -5.319 -0.882 -15.080 1.00 0.00 C ATOM 0 HA PRO A 63 -4.535 -3.590 -13.392 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.547 -2.659 -15.080 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.922 -3.594 -15.633 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.374 -0.713 -15.998 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.489 -1.738 -16.879 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.153 0.169 -14.842 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.252 -0.938 -15.640 1.00 0.00 H new ATOM 970 N TRP A 64 -2.679 -3.038 -11.960 1.00 0.00 N ATOM 971 CA TRP A 64 -1.722 -2.704 -10.919 1.00 0.00 C ATOM 972 C TRP A 64 -0.776 -1.635 -11.472 1.00 0.00 C ATOM 973 O TRP A 64 0.035 -1.915 -12.353 1.00 0.00 O ATOM 974 CB TRP A 64 -0.989 -3.953 -10.425 1.00 0.00 C ATOM 975 CG TRP A 64 -1.908 -5.012 -9.813 1.00 0.00 C ATOM 976 CD1 TRP A 64 -2.113 -6.268 -10.232 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.743 -4.855 -8.646 1.00 0.00 C ATOM 978 NE1 TRP A 64 -3.015 -6.930 -9.424 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.410 -6.043 -8.429 1.00 0.00 C ATOM 980 CE3 TRP A 64 -2.928 -3.746 -7.803 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.308 -6.236 -7.373 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.829 -3.955 -6.751 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.509 -5.145 -6.519 1.00 0.00 C ATOM 0 H TRP A 64 -2.851 -4.037 -12.076 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.230 -2.301 -10.043 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.445 -4.397 -11.259 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.248 -3.657 -9.683 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.633 -6.707 -11.094 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.333 -7.893 -9.536 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.416 -2.807 -7.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.819 -7.176 -7.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.008 -3.134 -6.073 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.189 -5.228 -5.684 1.00 0.00 H new ATOM 994 N THR A 65 -0.912 -0.433 -10.931 1.00 0.00 N ATOM 995 CA THR A 65 -0.080 0.678 -11.359 1.00 0.00 C ATOM 996 C THR A 65 0.896 1.073 -10.249 1.00 0.00 C ATOM 997 O THR A 65 0.482 1.559 -9.197 1.00 0.00 O ATOM 998 CB THR A 65 -1.002 1.820 -11.792 1.00 0.00 C ATOM 999 OG1 THR A 65 -0.237 2.538 -12.756 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.240 2.836 -10.673 1.00 0.00 C ATOM 0 H THR A 65 -1.586 -0.205 -10.200 1.00 0.00 H new ATOM 0 HA THR A 65 0.541 0.401 -12.211 1.00 0.00 H new ATOM 0 HB THR A 65 -1.957 1.411 -12.120 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.761 3.296 -13.091 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.900 3.625 -11.032 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.701 2.337 -9.821 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.288 3.271 -10.368 1.00 0.00 H new ATOM 1008 N VAL A 66 2.173 0.849 -10.520 1.00 0.00 N ATOM 1009 CA VAL A 66 3.211 1.175 -9.557 1.00 0.00 C ATOM 1010 C VAL A 66 3.105 2.654 -9.181 1.00 0.00 C ATOM 1011 O VAL A 66 3.557 3.522 -9.927 1.00 0.00 O ATOM 1012 CB VAL A 66 4.584 0.798 -10.119 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.694 1.117 -9.116 1.00 0.00 C ATOM 1014 CG2 VAL A 66 4.622 -0.676 -10.530 1.00 0.00 C ATOM 0 H VAL A 66 2.513 0.446 -11.393 1.00 0.00 H new ATOM 0 HA VAL A 66 3.079 0.596 -8.643 1.00 0.00 H new ATOM 0 HB VAL A 66 4.757 1.399 -11.012 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.659 0.839 -9.541 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.689 2.184 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.527 0.555 -8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.608 -0.918 -10.926 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.416 -1.301 -9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.869 -0.860 -11.296 1.00 0.00 H new ATOM 1024 N LEU A 67 2.506 2.896 -8.024 1.00 0.00 N ATOM 1025 CA LEU A 67 2.335 4.255 -7.540 1.00 0.00 C ATOM 1026 C LEU A 67 3.652 4.745 -6.935 1.00 0.00 C ATOM 1027 O LEU A 67 4.275 5.668 -7.459 1.00 0.00 O ATOM 1028 CB LEU A 67 1.149 4.335 -6.577 1.00 0.00 C ATOM 1029 CG LEU A 67 -0.099 5.044 -7.108 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -1.206 5.069 -6.053 1.00 0.00 C ATOM 1031 CD2 LEU A 67 0.242 6.447 -7.614 1.00 0.00 C ATOM 0 H LEU A 67 2.133 2.174 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 67 2.093 4.926 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.872 3.321 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.476 4.846 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.478 4.478 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.081 5.578 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.473 4.048 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.853 5.599 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.662 6.929 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.658 7.037 -6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.973 6.376 -8.420 1.00 0.00 H new ATOM 1043 N LEU A 68 4.038 4.107 -5.840 1.00 0.00 N ATOM 1044 CA LEU A 68 5.270 4.467 -5.158 1.00 0.00 C ATOM 1045 C LEU A 68 6.314 3.372 -5.389 1.00 0.00 C ATOM 1046 O LEU A 68 6.185 2.266 -4.867 1.00 0.00 O ATOM 1047 CB LEU A 68 4.999 4.756 -3.680 1.00 0.00 C ATOM 1048 CG LEU A 68 5.368 6.159 -3.193 1.00 0.00 C ATOM 1049 CD1 LEU A 68 4.846 6.403 -1.776 1.00 0.00 C ATOM 1050 CD2 LEU A 68 6.876 6.397 -3.298 1.00 0.00 C ATOM 0 H LEU A 68 3.519 3.343 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 68 5.678 5.390 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.939 4.593 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.548 4.029 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 68 4.882 6.885 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.122 7.407 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.761 6.304 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.283 5.671 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.111 7.401 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.403 5.665 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.189 6.294 -4.337 1.00 0.00 H new ATOM 1062 N ALA A 69 7.325 3.719 -6.172 1.00 0.00 N ATOM 1063 CA ALA A 69 8.391 2.780 -6.478 1.00 0.00 C ATOM 1064 C ALA A 69 9.445 2.833 -5.370 1.00 0.00 C ATOM 1065 O ALA A 69 9.846 1.798 -4.840 1.00 0.00 O ATOM 1066 CB ALA A 69 8.975 3.102 -7.855 1.00 0.00 C ATOM 0 H ALA A 69 7.429 4.637 -6.604 1.00 0.00 H new ATOM 0 HA ALA A 69 8.006 1.761 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.775 2.398 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.193 3.022 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.374 4.116 -7.853 1.00 0.00 H new ATOM 1072 N SER A 70 9.864 4.050 -5.054 1.00 0.00 N ATOM 1073 CA SER A 70 10.864 4.251 -4.019 1.00 0.00 C ATOM 1074 C SER A 70 10.182 4.562 -2.685 1.00 0.00 C ATOM 1075 O SER A 70 9.764 5.694 -2.447 1.00 0.00 O ATOM 1076 CB SER A 70 11.829 5.376 -4.397 1.00 0.00 C ATOM 1077 OG SER A 70 12.244 6.128 -3.260 1.00 0.00 O ATOM 0 H SER A 70 9.529 4.906 -5.496 1.00 0.00 H new ATOM 0 HA SER A 70 11.441 3.332 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.704 4.953 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.348 6.040 -5.115 1.00 0.00 H new ATOM 0 HG SER A 70 12.860 6.836 -3.543 1.00 0.00 H new ATOM 1083 N VAL A 71 10.090 3.537 -1.851 1.00 0.00 N ATOM 1084 CA VAL A 71 9.466 3.687 -0.548 1.00 0.00 C ATOM 1085 C VAL A 71 10.457 3.267 0.539 1.00 0.00 C ATOM 1086 O VAL A 71 11.342 2.448 0.295 1.00 0.00 O ATOM 1087 CB VAL A 71 8.157 2.895 -0.500 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.735 2.620 0.944 1.00 0.00 C ATOM 1089 CG2 VAL A 71 7.049 3.622 -1.267 1.00 0.00 C ATOM 0 H VAL A 71 10.437 2.599 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 71 9.207 4.730 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 71 8.328 1.935 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.802 2.056 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.511 2.042 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.590 3.565 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.129 3.039 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.881 4.603 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.347 3.743 -2.309 1.00 0.00 H new ATOM 1099 N ASP A 72 10.276 3.847 1.717 1.00 0.00 N ATOM 1100 CA ASP A 72 11.144 3.544 2.842 1.00 0.00 C ATOM 1101 C ASP A 72 10.882 2.111 3.310 1.00 0.00 C ATOM 1102 O ASP A 72 9.731 1.695 3.434 1.00 0.00 O ATOM 1103 CB ASP A 72 10.870 4.483 4.018 1.00 0.00 C ATOM 1104 CG ASP A 72 12.000 5.462 4.341 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.012 6.543 3.712 1.00 0.00 O ATOM 1106 OD2 ASP A 72 12.827 5.108 5.209 1.00 0.00 O ATOM 0 H ASP A 72 9.541 4.525 1.916 1.00 0.00 H new ATOM 0 HA ASP A 72 12.176 3.668 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.966 5.053 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.667 3.881 4.904 1.00 0.00 H new ATOM 1111 N PRO A 73 11.998 1.377 3.565 1.00 0.00 N ATOM 1112 CA PRO A 73 11.900 -0.001 4.017 1.00 0.00 C ATOM 1113 C PRO A 73 11.480 -0.067 5.487 1.00 0.00 C ATOM 1114 O PRO A 73 10.855 -1.037 5.914 1.00 0.00 O ATOM 1115 CB PRO A 73 13.276 -0.596 3.766 1.00 0.00 C ATOM 1116 CG PRO A 73 14.221 0.586 3.617 1.00 0.00 C ATOM 1117 CD PRO A 73 13.377 1.836 3.429 1.00 0.00 C ATOM 0 HA PRO A 73 11.134 -0.565 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.581 -1.238 4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.277 -1.212 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.854 0.682 4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.883 0.440 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.618 2.592 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.550 2.287 2.452 1.00 0.00 H new ATOM 1125 N LYS A 74 11.839 0.977 6.219 1.00 0.00 N ATOM 1126 CA LYS A 74 11.507 1.049 7.632 1.00 0.00 C ATOM 1127 C LYS A 74 10.087 1.597 7.790 1.00 0.00 C ATOM 1128 O LYS A 74 9.642 1.864 8.905 1.00 0.00 O ATOM 1129 CB LYS A 74 12.565 1.854 8.390 1.00 0.00 C ATOM 1130 CG LYS A 74 13.955 1.242 8.209 1.00 0.00 C ATOM 1131 CD LYS A 74 14.704 1.178 9.541 1.00 0.00 C ATOM 1132 CE LYS A 74 14.791 2.562 10.187 1.00 0.00 C ATOM 1133 NZ LYS A 74 16.151 3.125 10.027 1.00 0.00 N ATOM 0 H LYS A 74 12.356 1.780 5.861 1.00 0.00 H new ATOM 0 HA LYS A 74 11.517 0.054 8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.568 2.884 8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.313 1.885 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.863 0.240 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.527 1.834 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.196 0.489 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.707 0.784 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.059 3.229 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.542 2.492 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.192 4.064 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.843 2.496 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.374 3.211 9.015 1.00 0.00 H new ATOM 1147 N ALA A 75 9.416 1.747 6.658 1.00 0.00 N ATOM 1148 CA ALA A 75 8.056 2.258 6.657 1.00 0.00 C ATOM 1149 C ALA A 75 7.084 1.107 6.388 1.00 0.00 C ATOM 1150 O ALA A 75 7.230 0.383 5.404 1.00 0.00 O ATOM 1151 CB ALA A 75 7.932 3.379 5.623 1.00 0.00 C ATOM 0 H ALA A 75 9.789 1.524 5.735 1.00 0.00 H new ATOM 0 HA ALA A 75 7.805 2.682 7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.912 3.762 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.622 4.184 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.174 2.990 4.634 1.00 0.00 H new ATOM 1157 N THR A 76 6.112 0.975 7.279 1.00 0.00 N ATOM 1158 CA THR A 76 5.117 -0.076 7.151 1.00 0.00 C ATOM 1159 C THR A 76 3.766 0.517 6.743 1.00 0.00 C ATOM 1160 O THR A 76 2.793 -0.214 6.561 1.00 0.00 O ATOM 1161 CB THR A 76 5.068 -0.846 8.472 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.234 0.161 9.467 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.280 -1.760 8.661 1.00 0.00 C ATOM 0 H THR A 76 5.992 1.579 8.092 1.00 0.00 H new ATOM 0 HA THR A 76 5.382 -0.777 6.360 1.00 0.00 H new ATOM 0 HB THR A 76 4.155 -1.440 8.513 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.213 -0.251 10.356 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.196 -2.283 9.614 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.317 -2.487 7.850 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.191 -1.162 8.655 1.00 0.00 H new ATOM 1171 N SER A 77 3.750 1.835 6.611 1.00 0.00 N ATOM 1172 CA SER A 77 2.535 2.534 6.228 1.00 0.00 C ATOM 1173 C SER A 77 2.871 3.686 5.279 1.00 0.00 C ATOM 1174 O SER A 77 4.029 4.088 5.171 1.00 0.00 O ATOM 1175 CB SER A 77 1.791 3.059 7.457 1.00 0.00 C ATOM 1176 OG SER A 77 0.857 4.081 7.120 1.00 0.00 O ATOM 0 H SER A 77 4.559 2.437 6.762 1.00 0.00 H new ATOM 0 HA SER A 77 1.882 1.828 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.268 2.236 7.943 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.510 3.449 8.177 1.00 0.00 H new ATOM 0 HG SER A 77 0.142 3.701 6.568 1.00 0.00 H new ATOM 1182 N VAL A 78 1.839 4.185 4.616 1.00 0.00 N ATOM 1183 CA VAL A 78 2.010 5.283 3.679 1.00 0.00 C ATOM 1184 C VAL A 78 0.667 5.986 3.474 1.00 0.00 C ATOM 1185 O VAL A 78 -0.389 5.379 3.649 1.00 0.00 O ATOM 1186 CB VAL A 78 2.621 4.767 2.375 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.561 4.092 1.502 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.320 5.895 1.614 1.00 0.00 C ATOM 0 H VAL A 78 0.880 3.849 4.709 1.00 0.00 H new ATOM 0 HA VAL A 78 2.705 6.022 4.078 1.00 0.00 H new ATOM 0 HB VAL A 78 3.371 4.019 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.022 3.734 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.127 3.250 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.777 4.810 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.746 5.502 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.598 6.676 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.115 6.312 2.232 1.00 0.00 H new ATOM 1198 N THR A 79 0.750 7.256 3.105 1.00 0.00 N ATOM 1199 CA THR A 79 -0.445 8.048 2.874 1.00 0.00 C ATOM 1200 C THR A 79 -0.521 8.485 1.409 1.00 0.00 C ATOM 1201 O THR A 79 0.248 9.340 0.972 1.00 0.00 O ATOM 1202 CB THR A 79 -0.434 9.220 3.857 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.528 8.600 5.137 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.698 10.076 3.763 1.00 0.00 C ATOM 0 H THR A 79 1.627 7.756 2.960 1.00 0.00 H new ATOM 0 HA THR A 79 -1.347 7.463 3.054 1.00 0.00 H new ATOM 0 HB THR A 79 0.440 9.843 3.669 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.526 9.288 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.638 10.893 4.482 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.787 10.484 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.571 9.462 3.984 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.454 7.877 0.691 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.640 8.192 -0.715 1.00 0.00 C ATOM 1214 C VAL A 80 -2.431 9.496 -0.841 1.00 0.00 C ATOM 1215 O VAL A 80 -3.309 9.775 -0.026 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.308 7.017 -1.431 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.534 7.333 -2.911 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.489 5.735 -1.263 1.00 0.00 C ATOM 0 H VAL A 80 -2.089 7.168 1.057 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.677 8.347 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.283 6.855 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.010 6.481 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.177 8.208 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.576 7.535 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.986 4.915 -1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.494 5.881 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.403 5.495 -0.203 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.090 10.260 -1.868 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.757 11.528 -2.111 1.00 0.00 C ATOM 1230 C LYS A 81 -3.088 11.648 -3.600 1.00 0.00 C ATOM 1231 O LYS A 81 -2.590 10.873 -4.415 1.00 0.00 O ATOM 1232 CB LYS A 81 -1.917 12.688 -1.572 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.497 12.433 -0.123 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.335 13.344 0.279 1.00 0.00 C ATOM 1235 CE LYS A 81 0.891 12.522 0.681 1.00 0.00 C ATOM 1236 NZ LYS A 81 1.879 12.492 -0.421 1.00 0.00 N ATOM 0 H LYS A 81 -1.361 10.026 -2.541 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.702 11.571 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.031 12.820 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.489 13.614 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.345 12.604 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.204 11.390 -0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.080 14.002 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.638 13.982 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.346 12.950 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.588 11.506 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.705 11.930 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.446 12.063 -1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.181 13.462 -0.643 1.00 0.00 H new ATOM 1250 N GLY A 82 -3.926 12.626 -3.910 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.329 12.858 -5.287 1.00 0.00 C ATOM 1252 C GLY A 82 -5.063 11.642 -5.856 1.00 0.00 C ATOM 1253 O GLY A 82 -4.544 10.954 -6.734 1.00 0.00 O ATOM 0 H GLY A 82 -4.337 13.267 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.976 13.734 -5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.451 13.074 -5.895 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.258 11.413 -5.332 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.068 10.292 -5.776 1.00 0.00 C ATOM 1259 C LEU A 83 -8.384 10.816 -6.356 1.00 0.00 C ATOM 1260 O LEU A 83 -8.711 11.991 -6.198 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.256 9.283 -4.642 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.000 8.526 -4.203 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -6.319 7.543 -3.075 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -5.333 7.834 -5.394 1.00 0.00 C ATOM 0 H LEU A 83 -6.685 11.985 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.561 9.750 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.660 9.809 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.006 8.555 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.286 9.249 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.410 7.018 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.716 8.088 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.059 6.821 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.443 7.303 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.030 7.125 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.050 8.580 -6.136 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.102 9.920 -7.016 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.374 10.277 -7.620 1.00 0.00 C ATOM 1278 C VAL A 84 -11.508 9.926 -6.656 1.00 0.00 C ATOM 1279 O VAL A 84 -11.560 8.814 -6.131 1.00 0.00 O ATOM 1280 CB VAL A 84 -10.516 9.597 -8.983 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -11.975 9.586 -9.441 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -9.619 10.267 -10.026 1.00 0.00 C ATOM 0 H VAL A 84 -8.827 8.946 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.422 11.351 -7.801 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.191 8.562 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.048 9.097 -10.412 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.580 9.043 -8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.339 10.610 -9.522 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.739 9.764 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.900 11.315 -10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.578 10.199 -9.709 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.413 10.919 -6.446 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.544 10.726 -5.554 1.00 0.00 C ATOM 1294 C PRO A 85 -14.611 9.844 -6.205 1.00 0.00 C ATOM 1295 O PRO A 85 -14.791 9.877 -7.421 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.041 12.127 -5.240 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.471 13.025 -6.326 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.384 12.248 -7.050 1.00 0.00 C ATOM 0 HA PRO A 85 -13.273 10.200 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.130 12.163 -5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.707 12.448 -4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.254 13.326 -7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.063 13.938 -5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.578 12.200 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.409 12.719 -6.923 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.291 9.076 -5.366 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.336 8.187 -5.844 1.00 0.00 C ATOM 1308 C ALA A 86 -15.717 7.121 -6.751 1.00 0.00 C ATOM 1309 O ALA A 86 -16.161 6.930 -7.882 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.415 9.004 -6.557 1.00 0.00 C ATOM 0 H ALA A 86 -15.138 9.051 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.814 7.673 -5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.199 8.337 -6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -17.843 9.726 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.973 9.532 -7.402 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.702 6.456 -6.221 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.017 5.414 -6.968 1.00 0.00 C ATOM 1318 C ARG A 87 -13.307 4.454 -6.012 1.00 0.00 C ATOM 1319 O ARG A 87 -12.788 4.873 -4.978 1.00 0.00 O ATOM 1320 CB ARG A 87 -12.993 6.012 -7.934 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.638 6.345 -9.281 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.577 6.522 -10.369 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.166 7.202 -11.544 1.00 0.00 N ATOM 1324 CZ ARG A 87 -14.016 6.621 -12.401 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -14.383 5.345 -12.218 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -14.500 7.315 -13.440 1.00 0.00 N ATOM 0 H ARG A 87 -14.337 6.618 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.767 4.870 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.562 6.914 -7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.174 5.308 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.326 5.549 -9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.227 7.258 -9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.741 7.105 -9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.179 5.550 -10.662 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.908 8.175 -11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.015 4.817 -11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.030 4.902 -12.870 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.221 8.286 -13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.147 6.872 -14.092 1.00 0.00 H new ATOM 1340 N SER A 88 -13.306 3.185 -6.391 1.00 0.00 N ATOM 1341 CA SER A 88 -12.667 2.162 -5.580 1.00 0.00 C ATOM 1342 C SER A 88 -11.156 2.173 -5.818 1.00 0.00 C ATOM 1343 O SER A 88 -10.694 2.591 -6.879 1.00 0.00 O ATOM 1344 CB SER A 88 -13.242 0.778 -5.887 1.00 0.00 C ATOM 1345 OG SER A 88 -14.586 0.645 -5.430 1.00 0.00 O ATOM 0 H SER A 88 -13.737 2.841 -7.249 1.00 0.00 H new ATOM 0 HA SER A 88 -12.865 2.384 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.205 0.600 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.622 0.015 -5.416 1.00 0.00 H new ATOM 0 HG SER A 88 -14.976 -0.176 -5.796 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.427 1.711 -4.813 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.978 1.662 -4.900 1.00 0.00 C ATOM 1353 C TYR A 89 -8.425 0.437 -4.168 1.00 0.00 C ATOM 1354 O TYR A 89 -8.905 0.084 -3.092 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.471 2.928 -4.205 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.505 4.178 -5.087 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.725 4.241 -6.224 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.316 5.241 -4.746 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.757 5.418 -7.054 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.348 6.418 -5.576 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.567 6.448 -6.689 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.597 7.559 -7.473 1.00 0.00 O ATOM 0 H TYR A 89 -10.813 1.367 -3.934 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.658 1.599 -5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.074 3.108 -3.315 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.448 2.761 -3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.091 3.408 -6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.927 5.191 -3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.151 5.481 -7.946 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.978 7.257 -5.320 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.989 7.440 -8.232 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.424 -0.177 -4.781 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.801 -1.354 -4.201 1.00 0.00 C ATOM 1374 C GLN A 90 -5.284 -1.167 -4.120 1.00 0.00 C ATOM 1375 O GLN A 90 -4.642 -0.840 -5.117 1.00 0.00 O ATOM 1376 CB GLN A 90 -7.157 -2.611 -4.998 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.452 -3.240 -4.481 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.742 -4.563 -5.193 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -8.240 -4.841 -6.270 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.577 -5.360 -4.534 1.00 0.00 N ATOM 0 H GLN A 90 -7.029 0.119 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.185 -1.484 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.267 -2.358 -6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.344 -3.333 -4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.374 -3.410 -3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.282 -2.551 -4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.961 -5.066 -3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.833 -6.266 -4.926 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.757 -1.383 -2.924 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.328 -1.243 -2.700 1.00 0.00 C ATOM 1391 C PHE A 91 -2.681 -2.600 -2.417 1.00 0.00 C ATOM 1392 O PHE A 91 -3.333 -3.507 -1.902 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.154 -0.342 -1.476 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.419 1.139 -1.750 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -2.557 1.853 -2.522 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.518 1.742 -1.221 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -2.804 3.228 -2.776 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -4.764 3.117 -1.475 1.00 0.00 C ATOM 1399 CZ PHE A 91 -3.902 3.831 -2.247 1.00 0.00 C ATOM 0 H PHE A 91 -5.294 -1.654 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.852 -0.823 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.828 -0.681 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.138 -0.455 -1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.685 1.374 -2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.203 1.175 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.120 3.795 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.636 3.596 -1.055 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.089 4.877 -2.440 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.407 -2.697 -2.767 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.665 -3.928 -2.556 1.00 0.00 C ATOM 1411 C ARG A 92 0.816 -3.718 -2.881 1.00 0.00 C ATOM 1412 O ARG A 92 1.196 -3.652 -4.049 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.215 -5.059 -3.428 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.427 -4.587 -4.868 1.00 0.00 C ATOM 1415 CD ARG A 92 -1.267 -5.746 -5.854 1.00 0.00 C ATOM 1416 NE ARG A 92 -0.296 -5.382 -6.910 1.00 0.00 N ATOM 1417 CZ ARG A 92 0.322 -6.270 -7.700 1.00 0.00 C ATOM 1418 NH1 ARG A 92 0.073 -7.579 -7.560 1.00 0.00 N ATOM 1419 NH2 ARG A 92 1.189 -5.848 -8.631 1.00 0.00 N ATOM 0 H ARG A 92 -0.870 -1.943 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.775 -4.206 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.524 -5.902 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.159 -5.415 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.422 -4.153 -4.970 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.711 -3.801 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.927 -6.638 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.230 -5.988 -6.302 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.084 -4.393 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.587 -7.900 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.544 -8.255 -8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.378 -4.851 -8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.660 -6.524 -9.233 1.00 0.00 H new ATOM 1433 N LEU A 93 1.611 -3.618 -1.826 1.00 0.00 N ATOM 1434 CA LEU A 93 3.042 -3.416 -1.984 1.00 0.00 C ATOM 1435 C LEU A 93 3.772 -4.731 -1.702 1.00 0.00 C ATOM 1436 O LEU A 93 3.200 -5.650 -1.117 1.00 0.00 O ATOM 1437 CB LEU A 93 3.517 -2.250 -1.115 1.00 0.00 C ATOM 1438 CG LEU A 93 3.396 -2.447 0.397 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.459 -1.638 1.143 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.982 -2.119 0.881 1.00 0.00 C ATOM 0 H LEU A 93 1.292 -3.673 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 93 3.277 -3.134 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.561 -2.048 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.949 -1.362 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 93 3.577 -3.499 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.350 -1.796 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.451 -1.962 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.334 -0.579 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.923 -2.267 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.748 -1.081 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.266 -2.775 0.385 1.00 0.00 H new ATOM 1452 N CYS A 94 5.024 -4.779 -2.132 1.00 0.00 N ATOM 1453 CA CYS A 94 5.839 -5.966 -1.933 1.00 0.00 C ATOM 1454 C CYS A 94 7.134 -5.548 -1.234 1.00 0.00 C ATOM 1455 O CYS A 94 7.376 -4.360 -1.025 1.00 0.00 O ATOM 1456 CB CYS A 94 6.111 -6.692 -3.252 1.00 0.00 C ATOM 1457 SG CYS A 94 7.146 -5.647 -4.340 1.00 0.00 S ATOM 0 H CYS A 94 5.494 -4.015 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 94 5.303 -6.678 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.614 -7.639 -3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.169 -6.927 -3.748 1.00 0.00 H new ATOM 0 HG CYS A 94 6.588 -5.554 -5.511 1.00 0.00 H new ATOM 1463 N ALA A 95 7.932 -6.548 -0.891 1.00 0.00 N ATOM 1464 CA ALA A 95 9.197 -6.300 -0.219 1.00 0.00 C ATOM 1465 C ALA A 95 10.345 -6.509 -1.208 1.00 0.00 C ATOM 1466 O ALA A 95 10.490 -7.590 -1.776 1.00 0.00 O ATOM 1467 CB ALA A 95 9.311 -7.208 1.007 1.00 0.00 C ATOM 0 H ALA A 95 7.728 -7.532 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 95 9.249 -5.270 0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.260 -7.022 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.489 -6.999 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.265 -8.251 0.693 1.00 0.00 H new ATOM 1473 N VAL A 96 11.130 -5.457 -1.385 1.00 0.00 N ATOM 1474 CA VAL A 96 12.261 -5.512 -2.296 1.00 0.00 C ATOM 1475 C VAL A 96 13.546 -5.202 -1.526 1.00 0.00 C ATOM 1476 O VAL A 96 13.609 -4.224 -0.783 1.00 0.00 O ATOM 1477 CB VAL A 96 12.029 -4.566 -3.476 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.076 -4.786 -4.569 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.612 -4.722 -4.033 1.00 0.00 C ATOM 0 H VAL A 96 11.005 -4.561 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 96 12.366 -6.513 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 96 12.135 -3.544 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.888 -4.101 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.070 -4.601 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.017 -5.813 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.473 -4.039 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.466 -5.747 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.887 -4.491 -3.253 1.00 0.00 H new ATOM 1489 N ASN A 97 14.540 -6.055 -1.729 1.00 0.00 N ATOM 1490 CA ASN A 97 15.820 -5.885 -1.063 1.00 0.00 C ATOM 1491 C ASN A 97 16.948 -6.186 -2.052 1.00 0.00 C ATOM 1492 O ASN A 97 16.696 -6.439 -3.229 1.00 0.00 O ATOM 1493 CB ASN A 97 15.958 -6.846 0.119 1.00 0.00 C ATOM 1494 CG ASN A 97 15.419 -8.233 -0.236 1.00 0.00 C ATOM 1495 OD1 ASN A 97 14.705 -8.420 -1.207 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.800 -9.193 0.602 1.00 0.00 N ATOM 0 H ASN A 97 14.484 -6.866 -2.345 1.00 0.00 H new ATOM 0 HA ASN A 97 15.878 -4.858 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.006 -6.923 0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.417 -6.451 0.979 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.493 -10.154 0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.399 -8.968 1.396 1.00 0.00 H new ATOM 1503 N ASP A 98 18.169 -6.149 -1.537 1.00 0.00 N ATOM 1504 CA ASP A 98 19.336 -6.415 -2.360 1.00 0.00 C ATOM 1505 C ASP A 98 19.085 -7.664 -3.206 1.00 0.00 C ATOM 1506 O ASP A 98 19.117 -7.604 -4.434 1.00 0.00 O ATOM 1507 CB ASP A 98 20.573 -6.670 -1.495 1.00 0.00 C ATOM 1508 CG ASP A 98 21.822 -7.104 -2.265 1.00 0.00 C ATOM 1509 OD1 ASP A 98 22.512 -6.199 -2.782 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.057 -8.330 -2.320 1.00 0.00 O ATOM 0 H ASP A 98 18.375 -5.939 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 98 19.510 -5.543 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.804 -5.760 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.332 -7.438 -0.760 1.00 0.00 H new ATOM 1515 N VAL A 99 18.840 -8.768 -2.515 1.00 0.00 N ATOM 1516 CA VAL A 99 18.583 -10.030 -3.188 1.00 0.00 C ATOM 1517 C VAL A 99 17.688 -9.782 -4.404 1.00 0.00 C ATOM 1518 O VAL A 99 17.993 -10.235 -5.506 1.00 0.00 O ATOM 1519 CB VAL A 99 17.985 -11.037 -2.202 1.00 0.00 C ATOM 1520 CG1 VAL A 99 18.686 -10.955 -0.844 1.00 0.00 C ATOM 1521 CG2 VAL A 99 16.477 -10.831 -2.055 1.00 0.00 C ATOM 0 H VAL A 99 18.814 -8.815 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 99 19.514 -10.465 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 99 18.148 -12.037 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 99 18.243 -11.680 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 99 19.746 -11.174 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.569 -9.952 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.077 -11.559 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.282 -9.824 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.996 -10.963 -3.024 1.00 0.00 H new ATOM 1531 N GLY A 100 16.601 -9.063 -4.163 1.00 0.00 N ATOM 1532 CA GLY A 100 15.661 -8.750 -5.225 1.00 0.00 C ATOM 1533 C GLY A 100 14.278 -8.426 -4.654 1.00 0.00 C ATOM 1534 O GLY A 100 14.168 -7.849 -3.574 1.00 0.00 O ATOM 0 H GLY A 100 16.351 -8.689 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 100 16.028 -7.902 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.587 -9.594 -5.911 1.00 0.00 H new ATOM 1538 N LYS A 101 13.258 -8.811 -5.407 1.00 0.00 N ATOM 1539 CA LYS A 101 11.887 -8.569 -4.990 1.00 0.00 C ATOM 1540 C LYS A 101 11.198 -9.908 -4.716 1.00 0.00 C ATOM 1541 O LYS A 101 11.492 -10.907 -5.370 1.00 0.00 O ATOM 1542 CB LYS A 101 11.159 -7.702 -6.019 1.00 0.00 C ATOM 1543 CG LYS A 101 9.661 -7.633 -5.716 1.00 0.00 C ATOM 1544 CD LYS A 101 8.872 -7.188 -6.949 1.00 0.00 C ATOM 1545 CE LYS A 101 9.197 -5.738 -7.314 1.00 0.00 C ATOM 1546 NZ LYS A 101 8.906 -5.485 -8.742 1.00 0.00 N ATOM 0 H LYS A 101 13.353 -9.289 -6.303 1.00 0.00 H new ATOM 0 HA LYS A 101 11.866 -8.003 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.581 -6.697 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.313 -8.110 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.308 -8.610 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.484 -6.937 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.107 -7.840 -7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.804 -7.288 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.612 -5.060 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.248 -5.532 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.132 -4.496 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.483 -6.119 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.898 -5.662 -8.928 1.00 0.00 H new ATOM 1560 N GLY A 102 10.295 -9.884 -3.747 1.00 0.00 N ATOM 1561 CA GLY A 102 9.561 -11.083 -3.378 1.00 0.00 C ATOM 1562 C GLY A 102 8.175 -11.099 -4.025 1.00 0.00 C ATOM 1563 O GLY A 102 8.055 -11.246 -5.241 1.00 0.00 O ATOM 0 H GLY A 102 10.055 -9.053 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.121 -11.966 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.461 -11.133 -2.294 1.00 0.00 H new ATOM 1567 N GLN A 103 7.163 -10.946 -3.184 1.00 0.00 N ATOM 1568 CA GLN A 103 5.790 -10.940 -3.659 1.00 0.00 C ATOM 1569 C GLN A 103 5.014 -9.782 -3.027 1.00 0.00 C ATOM 1570 O GLN A 103 5.463 -9.192 -2.046 1.00 0.00 O ATOM 1571 CB GLN A 103 5.105 -12.278 -3.373 1.00 0.00 C ATOM 1572 CG GLN A 103 5.255 -12.668 -1.901 1.00 0.00 C ATOM 1573 CD GLN A 103 4.018 -13.419 -1.404 1.00 0.00 C ATOM 1574 OE1 GLN A 103 2.936 -13.321 -1.958 1.00 0.00 O ATOM 1575 NE2 GLN A 103 4.238 -14.172 -0.330 1.00 0.00 N ATOM 0 H GLN A 103 7.266 -10.825 -2.176 1.00 0.00 H new ATOM 0 HA GLN A 103 5.801 -10.798 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.048 -12.211 -3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.538 -13.054 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.139 -13.293 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.408 -11.773 -1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.169 -14.209 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.476 -14.712 0.079 1.00 0.00 H new ATOM 1584 N PHE A 104 3.863 -9.492 -3.615 1.00 0.00 N ATOM 1585 CA PHE A 104 3.021 -8.415 -3.122 1.00 0.00 C ATOM 1586 C PHE A 104 1.950 -8.949 -2.169 1.00 0.00 C ATOM 1587 O PHE A 104 1.735 -10.158 -2.086 1.00 0.00 O ATOM 1588 CB PHE A 104 2.338 -7.789 -4.339 1.00 0.00 C ATOM 1589 CG PHE A 104 3.301 -7.098 -5.307 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.227 -7.830 -5.982 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.230 -5.753 -5.493 1.00 0.00 C ATOM 1592 CE1 PHE A 104 5.121 -7.189 -6.880 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.124 -5.112 -6.391 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.050 -5.843 -7.066 1.00 0.00 C ATOM 0 H PHE A 104 3.493 -9.984 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 104 3.625 -7.690 -2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.794 -8.565 -4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.601 -7.063 -3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.283 -8.899 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.494 -5.172 -4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.857 -7.770 -7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.068 -4.043 -6.538 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.729 -5.356 -7.750 1.00 0.00 H new ATOM 1604 N SER A 105 1.307 -8.023 -1.474 1.00 0.00 N ATOM 1605 CA SER A 105 0.263 -8.385 -0.530 1.00 0.00 C ATOM 1606 C SER A 105 -1.087 -8.458 -1.246 1.00 0.00 C ATOM 1607 O SER A 105 -1.243 -7.920 -2.340 1.00 0.00 O ATOM 1608 CB SER A 105 0.198 -7.387 0.628 1.00 0.00 C ATOM 1609 OG SER A 105 0.502 -6.060 0.207 1.00 0.00 O ATOM 0 H SER A 105 1.489 -7.022 -1.545 1.00 0.00 H new ATOM 0 HA SER A 105 0.500 -9.365 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.799 -7.408 1.069 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.898 -7.689 1.407 1.00 0.00 H new ATOM 0 HG SER A 105 0.371 -5.441 0.956 1.00 0.00 H new ATOM 1615 N LYS A 106 -2.029 -9.128 -0.597 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.361 -9.278 -1.158 1.00 0.00 C ATOM 1617 C LYS A 106 -4.011 -7.900 -1.292 1.00 0.00 C ATOM 1618 O LYS A 106 -3.623 -6.956 -0.604 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.182 -10.268 -0.329 1.00 0.00 C ATOM 1620 CG LYS A 106 -3.887 -11.710 -0.747 1.00 0.00 C ATOM 1621 CD LYS A 106 -4.484 -12.015 -2.123 1.00 0.00 C ATOM 1622 CE LYS A 106 -4.554 -13.523 -2.367 1.00 0.00 C ATOM 1623 NZ LYS A 106 -4.947 -13.804 -3.766 1.00 0.00 N ATOM 0 H LYS A 106 -1.896 -9.573 0.311 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.308 -9.704 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.954 -10.138 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.244 -10.059 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.809 -11.873 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.297 -12.398 -0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.483 -11.585 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.879 -11.545 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.585 -13.977 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.273 -13.975 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.990 -14.832 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.881 -13.388 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -4.246 -13.389 -4.413 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.990 -7.826 -2.182 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.698 -6.579 -2.414 1.00 0.00 C ATOM 1639 C ASP A 107 -6.354 -6.119 -1.111 1.00 0.00 C ATOM 1640 O ASP A 107 -7.315 -6.729 -0.646 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.801 -6.759 -3.460 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.744 -7.937 -3.210 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -7.592 -8.568 -2.142 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -8.596 -8.179 -4.092 1.00 0.00 O ATOM 0 H ASP A 107 -5.309 -8.610 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.977 -5.844 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.391 -5.844 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.336 -6.886 -4.438 1.00 0.00 H new ATOM 1649 N THR A 108 -5.807 -5.046 -0.558 1.00 0.00 N ATOM 1650 CA THR A 108 -6.327 -4.496 0.683 1.00 0.00 C ATOM 1651 C THR A 108 -7.836 -4.266 0.574 1.00 0.00 C ATOM 1652 O THR A 108 -8.365 -4.108 -0.525 1.00 0.00 O ATOM 1653 CB THR A 108 -5.540 -3.224 1.003 1.00 0.00 C ATOM 1654 OG1 THR A 108 -5.663 -2.434 -0.177 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.036 -3.481 1.124 1.00 0.00 C ATOM 0 H THR A 108 -5.009 -4.543 -0.946 1.00 0.00 H new ATOM 0 HA THR A 108 -6.195 -5.193 1.510 1.00 0.00 H new ATOM 0 HB THR A 108 -5.911 -2.792 1.933 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.553 -2.025 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.524 -2.546 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.853 -4.199 1.923 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.658 -3.881 0.183 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.485 -4.255 1.728 1.00 0.00 N ATOM 1664 CA GLU A 109 -9.922 -4.046 1.777 1.00 0.00 C ATOM 1665 C GLU A 109 -10.338 -2.979 0.763 1.00 0.00 C ATOM 1666 O GLU A 109 -10.012 -1.804 0.924 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.374 -3.668 3.188 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.390 -4.677 3.728 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.005 -4.188 5.041 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -11.225 -3.697 5.885 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.242 -4.316 5.170 1.00 0.00 O ATOM 0 H GLU A 109 -8.042 -4.388 2.637 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.414 -4.982 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.510 -3.626 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.816 -2.672 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.177 -4.836 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.903 -5.639 3.887 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.053 -3.425 -0.260 1.00 0.00 N ATOM 1679 CA ARG A 110 -11.517 -2.522 -1.299 1.00 0.00 C ATOM 1680 C ARG A 110 -11.899 -1.169 -0.696 1.00 0.00 C ATOM 1681 O ARG A 110 -13.005 -1.005 -0.183 1.00 0.00 O ATOM 1682 CB ARG A 110 -12.725 -3.105 -2.035 1.00 0.00 C ATOM 1683 CG ARG A 110 -12.779 -2.606 -3.481 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.207 -2.225 -3.876 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.650 -3.045 -5.025 1.00 0.00 N ATOM 1686 CZ ARG A 110 -15.028 -4.328 -4.931 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -15.017 -4.943 -3.741 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -15.415 -4.994 -6.027 1.00 0.00 N ATOM 0 H ARG A 110 -11.322 -4.400 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.702 -2.388 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -12.672 -4.194 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.642 -2.826 -1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.123 -1.743 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.407 -3.381 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -14.879 -2.375 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -14.252 -1.167 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.669 -2.607 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -14.721 -4.435 -2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -15.304 -5.919 -3.669 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -15.422 -4.525 -6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -15.703 -5.970 -5.956 1.00 0.00 H new ATOM 1702 N VAL A 111 -10.963 -0.235 -0.777 1.00 0.00 N ATOM 1703 CA VAL A 111 -11.188 1.098 -0.245 1.00 0.00 C ATOM 1704 C VAL A 111 -11.781 1.986 -1.341 1.00 0.00 C ATOM 1705 O VAL A 111 -11.292 1.995 -2.470 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.888 1.655 0.339 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.023 2.286 -0.754 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -10.175 2.658 1.458 1.00 0.00 C ATOM 0 H VAL A 111 -10.047 -0.375 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.908 1.067 0.573 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.331 0.823 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.105 2.674 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.776 1.533 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.571 3.101 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -9.234 3.039 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.763 3.486 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.733 2.165 2.254 1.00 0.00 H new ATOM 1718 N SER A 112 -12.825 2.712 -0.970 1.00 0.00 N ATOM 1719 CA SER A 112 -13.489 3.602 -1.907 1.00 0.00 C ATOM 1720 C SER A 112 -13.389 5.048 -1.417 1.00 0.00 C ATOM 1721 O SER A 112 -13.491 5.310 -0.220 1.00 0.00 O ATOM 1722 CB SER A 112 -14.955 3.206 -2.098 1.00 0.00 C ATOM 1723 OG SER A 112 -15.713 4.245 -2.711 1.00 0.00 O ATOM 0 H SER A 112 -13.228 2.702 -0.033 1.00 0.00 H new ATOM 0 HA SER A 112 -12.989 3.517 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.011 2.307 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.393 2.960 -1.131 1.00 0.00 H new ATOM 0 HG SER A 112 -16.642 3.953 -2.817 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.190 5.948 -2.368 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.074 7.361 -2.049 1.00 0.00 C ATOM 1731 C LEU A 113 -14.467 7.995 -2.048 1.00 0.00 C ATOM 1732 O LEU A 113 -15.391 7.473 -2.670 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.087 8.046 -2.996 1.00 0.00 C ATOM 1734 CG LEU A 113 -10.964 8.845 -2.332 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -9.631 8.100 -2.428 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -10.876 10.256 -2.916 1.00 0.00 C ATOM 0 H LEU A 113 -13.106 5.726 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.662 7.493 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -11.637 7.284 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -12.646 8.717 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.199 8.950 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -8.849 8.689 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.716 7.135 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.376 7.944 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.070 10.803 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.676 10.195 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -11.819 10.777 -2.752 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.576 9.141 -1.324 1.00 0.00 N ATOM 1749 CA PRO A 114 -15.841 9.851 -1.234 1.00 0.00 C ATOM 1750 C PRO A 114 -16.141 10.602 -2.533 1.00 0.00 C ATOM 1751 O PRO A 114 -15.230 11.106 -3.188 1.00 0.00 O ATOM 1752 CB PRO A 114 -15.689 10.774 -0.036 1.00 0.00 C ATOM 1753 CG PRO A 114 -14.194 10.887 0.217 1.00 0.00 C ATOM 1754 CD PRO A 114 -13.504 9.788 -0.574 1.00 0.00 C ATOM 0 HA PRO A 114 -16.691 9.182 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.126 11.752 -0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -16.203 10.370 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -13.828 11.866 -0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -13.978 10.785 1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -12.745 10.197 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -13.001 9.082 0.086 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.422 10.654 -2.866 1.00 0.00 N ATOM 1763 CA GLU A 115 -17.854 11.335 -4.075 1.00 0.00 C ATOM 1764 C GLU A 115 -17.400 12.796 -4.052 1.00 0.00 C ATOM 1765 O GLU A 115 -16.991 13.339 -5.078 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.371 11.236 -4.248 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.761 11.321 -5.725 1.00 0.00 C ATOM 1768 CD GLU A 115 -19.958 12.776 -6.156 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -20.545 13.532 -5.353 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -19.516 13.099 -7.280 1.00 0.00 O ATOM 0 H GLU A 115 -18.175 10.236 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.391 10.844 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.728 10.296 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.857 12.038 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.987 10.858 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.680 10.760 -5.895 1.00 0.00 H new