USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 25 MET CE :methyl 171:sc= -1.66 (180deg=-2.11) USER MOD Set 1.2: A 45 MET CE :methyl -128:sc= -4.44 (180deg=-5.05!) USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 51 CYS SG : rot 180:sc= -1.78 USER MOD Set 3.1: A 16 ASN : amide:sc= -0.416! C(o=-1.3!,f=-3.8!) USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 55 THR OG1 : rot -170:sc= -0.847 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD Single : A 56 TYR OH : rot -19:sc= -0.0363 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -105:sc=0.000526 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 ASN : amide:sc= -0.583 K(o=-0.58,f=-1.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.59) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 156:sc= -0.112 (180deg=-0.535) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.698 7.612 -1.423 1.00 0.00 N ATOM 207 CA ASN A 16 7.610 6.608 -1.957 1.00 0.00 C ATOM 208 C ASN A 16 7.374 5.253 -1.299 1.00 0.00 C ATOM 209 O ASN A 16 7.259 4.231 -1.977 1.00 0.00 O ATOM 210 CB ASN A 16 9.062 7.044 -1.746 1.00 0.00 C ATOM 211 CG ASN A 16 9.495 6.930 -0.297 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.808 7.408 0.606 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.639 6.296 -0.070 1.00 0.00 N ATOM 0 HA ASN A 16 7.418 6.511 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.716 6.432 -2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.181 8.075 -2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.982 6.189 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.175 5.916 -0.850 1.00 0.00 H new ATOM 220 N THR A 17 7.301 5.251 0.029 1.00 0.00 N ATOM 221 CA THR A 17 7.079 4.022 0.780 1.00 0.00 C ATOM 222 C THR A 17 5.592 3.697 0.877 1.00 0.00 C ATOM 223 O THR A 17 4.745 4.584 0.769 1.00 0.00 O ATOM 224 CB THR A 17 7.665 4.118 2.202 1.00 0.00 C ATOM 225 OG1 THR A 17 8.907 4.829 2.172 1.00 0.00 O ATOM 226 CG2 THR A 17 7.880 2.734 2.793 1.00 0.00 C ATOM 0 H THR A 17 7.392 6.087 0.606 1.00 0.00 H new ATOM 0 HA THR A 17 7.588 3.225 0.238 1.00 0.00 H new ATOM 0 HB THR A 17 6.954 4.656 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.273 4.887 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.294 2.827 3.797 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.927 2.207 2.841 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.573 2.174 2.165 1.00 0.00 H new ATOM 234 N LEU A 18 5.282 2.422 1.081 1.00 0.00 N ATOM 235 CA LEU A 18 3.896 1.980 1.193 1.00 0.00 C ATOM 236 C LEU A 18 3.733 0.984 2.337 1.00 0.00 C ATOM 237 O LEU A 18 4.481 0.011 2.438 1.00 0.00 O ATOM 238 CB LEU A 18 3.435 1.346 -0.120 1.00 0.00 C ATOM 239 CG LEU A 18 3.910 2.033 -1.401 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.757 1.103 -2.594 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.141 3.327 -1.628 1.00 0.00 C ATOM 0 H LEU A 18 5.971 1.676 1.172 1.00 0.00 H new ATOM 0 HA LEU A 18 3.278 2.853 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.775 0.311 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.345 1.324 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 18 4.967 2.276 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.100 1.609 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.353 0.204 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.709 0.828 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.492 3.803 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.077 3.107 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.303 3.999 -0.785 1.00 0.00 H new ATOM 253 N TYR A 19 2.750 1.233 3.195 1.00 0.00 N ATOM 254 CA TYR A 19 2.488 0.358 4.332 1.00 0.00 C ATOM 255 C TYR A 19 1.599 -0.813 3.925 1.00 0.00 C ATOM 256 O TYR A 19 0.414 -0.638 3.640 1.00 0.00 O ATOM 257 CB TYR A 19 1.828 1.145 5.466 1.00 0.00 C ATOM 258 CG TYR A 19 1.871 0.435 6.800 1.00 0.00 C ATOM 259 CD1 TYR A 19 2.976 0.552 7.635 1.00 0.00 C ATOM 260 CD2 TYR A 19 0.809 -0.353 7.225 1.00 0.00 C ATOM 261 CE1 TYR A 19 3.020 -0.095 8.855 1.00 0.00 C ATOM 262 CE2 TYR A 19 0.845 -1.003 8.444 1.00 0.00 C ATOM 263 CZ TYR A 19 1.952 -0.871 9.255 1.00 0.00 C ATOM 264 OH TYR A 19 1.992 -1.517 10.469 1.00 0.00 O ATOM 0 H TYR A 19 2.122 2.033 3.125 1.00 0.00 H new ATOM 0 HA TYR A 19 3.442 -0.038 4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.323 2.112 5.562 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.789 1.343 5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.814 1.159 7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.060 -0.460 6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.886 0.006 9.492 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.010 -1.611 8.760 1.00 0.00 H new ATOM 0 HH TYR A 19 1.161 -2.020 10.599 1.00 0.00 H new ATOM 274 N VAL A 20 2.179 -2.008 3.901 1.00 0.00 N ATOM 275 CA VAL A 20 1.441 -3.210 3.531 1.00 0.00 C ATOM 276 C VAL A 20 1.210 -4.107 4.742 1.00 0.00 C ATOM 277 O VAL A 20 2.058 -4.200 5.630 1.00 0.00 O ATOM 278 CB VAL A 20 2.182 -4.012 2.445 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.334 -5.184 1.975 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.555 -3.110 1.278 1.00 0.00 C ATOM 0 H VAL A 20 3.159 -2.170 4.134 1.00 0.00 H new ATOM 0 HA VAL A 20 0.479 -2.882 3.136 1.00 0.00 H new ATOM 0 HB VAL A 20 3.101 -4.410 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.874 -5.739 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.123 -5.842 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.396 -4.812 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.078 -3.693 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.651 -2.681 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.204 -2.308 1.631 1.00 0.00 H new ATOM 290 N TYR A 21 0.058 -4.767 4.771 1.00 0.00 N ATOM 291 CA TYR A 21 -0.287 -5.656 5.874 1.00 0.00 C ATOM 292 C TYR A 21 -0.907 -6.950 5.357 1.00 0.00 C ATOM 293 O TYR A 21 -1.819 -6.928 4.531 1.00 0.00 O ATOM 294 CB TYR A 21 -1.254 -4.962 6.834 1.00 0.00 C ATOM 295 CG TYR A 21 -1.828 -5.883 7.887 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.917 -6.698 7.605 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.281 -5.938 9.163 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.445 -7.541 8.564 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.802 -6.778 10.127 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.884 -7.578 9.823 1.00 0.00 C ATOM 301 OH TYR A 21 -3.406 -8.415 10.782 1.00 0.00 O ATOM 0 H TYR A 21 -0.653 -4.703 4.043 1.00 0.00 H new ATOM 0 HA TYR A 21 0.630 -5.902 6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.736 -4.139 7.327 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.072 -4.526 6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.358 -6.672 6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.434 -5.313 9.405 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.293 -8.168 8.329 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.365 -6.809 11.114 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.894 -8.320 11.612 1.00 0.00 H new ATOM 311 N GLY A 22 -0.405 -8.078 5.850 1.00 0.00 N ATOM 312 CA GLY A 22 -0.921 -9.367 5.428 1.00 0.00 C ATOM 313 C GLY A 22 -0.970 -10.372 6.562 1.00 0.00 C ATOM 314 O GLY A 22 -0.753 -10.020 7.721 1.00 0.00 O ATOM 0 H GLY A 22 0.350 -8.122 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.923 -9.237 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.297 -9.760 4.625 1.00 0.00 H new ATOM 318 N GLU A 23 -1.256 -11.627 6.227 1.00 0.00 N ATOM 319 CA GLU A 23 -1.334 -12.684 7.228 1.00 0.00 C ATOM 320 C GLU A 23 -0.520 -13.901 6.797 1.00 0.00 C ATOM 321 O GLU A 23 0.281 -14.430 7.569 1.00 0.00 O ATOM 322 CB GLU A 23 -2.791 -13.088 7.462 1.00 0.00 C ATOM 323 CG GLU A 23 -3.654 -11.964 8.011 1.00 0.00 C ATOM 324 CD GLU A 23 -4.876 -12.474 8.750 1.00 0.00 C ATOM 325 OE1 GLU A 23 -5.684 -13.198 8.131 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.024 -12.151 9.947 1.00 0.00 O ATOM 0 H GLU A 23 -1.437 -11.935 5.272 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.917 -12.300 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.218 -13.436 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.819 -13.928 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.057 -11.349 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.972 -11.321 7.190 1.00 0.00 H new ATOM 333 N ASP A 24 -0.733 -14.341 5.562 1.00 0.00 N ATOM 334 CA ASP A 24 -0.019 -15.495 5.028 1.00 0.00 C ATOM 335 C ASP A 24 0.777 -15.114 3.784 1.00 0.00 C ATOM 336 O ASP A 24 0.822 -15.864 2.809 1.00 0.00 O ATOM 337 CB ASP A 24 -1.001 -16.619 4.695 1.00 0.00 C ATOM 338 CG ASP A 24 -1.564 -17.283 5.937 1.00 0.00 C ATOM 339 OD1 ASP A 24 -1.810 -16.568 6.931 1.00 0.00 O ATOM 340 OD2 ASP A 24 -1.757 -18.517 5.915 1.00 0.00 O ATOM 0 H ASP A 24 -1.394 -13.916 4.912 1.00 0.00 H new ATOM 0 HA ASP A 24 0.678 -15.845 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.820 -16.217 4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.498 -17.367 4.083 1.00 0.00 H new ATOM 345 N MET A 25 1.403 -13.942 3.824 1.00 0.00 N ATOM 346 CA MET A 25 2.198 -13.462 2.700 1.00 0.00 C ATOM 347 C MET A 25 3.685 -13.473 3.040 1.00 0.00 C ATOM 348 O MET A 25 4.070 -13.288 4.195 1.00 0.00 O ATOM 349 CB MET A 25 1.764 -12.048 2.308 1.00 0.00 C ATOM 350 CG MET A 25 1.273 -11.216 3.482 1.00 0.00 C ATOM 351 SD MET A 25 2.543 -10.970 4.738 1.00 0.00 S ATOM 352 CE MET A 25 2.775 -9.196 4.643 1.00 0.00 C ATOM 0 H MET A 25 1.375 -13.308 4.622 1.00 0.00 H new ATOM 0 HA MET A 25 2.031 -14.133 1.858 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.603 -11.537 1.837 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.971 -12.113 1.563 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.934 -10.246 3.118 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.410 -11.706 3.934 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.411 -8.868 5.465 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.248 -8.941 3.695 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.808 -8.698 4.711 1.00 0.00 H new ATOM 362 N THR A 26 4.518 -13.693 2.028 1.00 0.00 N ATOM 363 CA THR A 26 5.962 -13.730 2.220 1.00 0.00 C ATOM 364 C THR A 26 6.655 -12.653 1.394 1.00 0.00 C ATOM 365 O THR A 26 6.143 -12.195 0.373 1.00 0.00 O ATOM 366 CB THR A 26 6.544 -15.105 1.841 1.00 0.00 C ATOM 367 OG1 THR A 26 5.925 -15.586 0.643 1.00 0.00 O ATOM 368 CG2 THR A 26 6.334 -16.110 2.964 1.00 0.00 C ATOM 0 H THR A 26 4.217 -13.848 1.066 1.00 0.00 H new ATOM 0 HA THR A 26 6.144 -13.545 3.279 1.00 0.00 H new ATOM 0 HB THR A 26 7.615 -14.988 1.675 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.302 -16.460 0.408 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.753 -17.073 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.831 -15.756 3.867 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.267 -16.222 3.157 1.00 0.00 H new ATOM 376 N PRO A 27 7.848 -12.237 1.844 1.00 0.00 N ATOM 377 CA PRO A 27 8.638 -11.209 1.160 1.00 0.00 C ATOM 378 C PRO A 27 8.751 -11.467 -0.339 1.00 0.00 C ATOM 379 O PRO A 27 8.390 -10.618 -1.155 1.00 0.00 O ATOM 380 CB PRO A 27 10.012 -11.315 1.826 1.00 0.00 C ATOM 381 CG PRO A 27 9.735 -11.874 3.179 1.00 0.00 C ATOM 382 CD PRO A 27 8.519 -12.740 3.055 1.00 0.00 C ATOM 0 HA PRO A 27 8.183 -10.222 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.678 -11.964 1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.496 -10.341 1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.586 -12.453 3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.567 -11.074 3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.786 -13.792 2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.877 -12.655 3.932 1.00 0.00 H new ATOM 390 N THR A 28 9.255 -12.644 -0.696 1.00 0.00 N ATOM 391 CA THR A 28 9.417 -13.013 -2.097 1.00 0.00 C ATOM 392 C THR A 28 8.114 -12.831 -2.867 1.00 0.00 C ATOM 393 O THR A 28 8.124 -12.556 -4.068 1.00 0.00 O ATOM 394 CB THR A 28 9.886 -14.473 -2.242 1.00 0.00 C ATOM 395 OG1 THR A 28 11.154 -14.647 -1.600 1.00 0.00 O ATOM 396 CG2 THR A 28 9.997 -14.862 -3.709 1.00 0.00 C ATOM 0 H THR A 28 9.558 -13.358 -0.034 1.00 0.00 H new ATOM 0 HA THR A 28 10.177 -12.352 -2.513 1.00 0.00 H new ATOM 0 HB THR A 28 9.147 -15.118 -1.766 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.444 -15.578 -1.695 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.330 -15.897 -3.787 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.024 -14.757 -4.188 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.717 -14.211 -4.205 1.00 0.00 H new ATOM 404 N LEU A 29 6.994 -12.984 -2.170 1.00 0.00 N ATOM 405 CA LEU A 29 5.681 -12.835 -2.789 1.00 0.00 C ATOM 406 C LEU A 29 5.421 -11.381 -3.170 1.00 0.00 C ATOM 407 O LEU A 29 5.045 -11.083 -4.304 1.00 0.00 O ATOM 408 CB LEU A 29 4.589 -13.329 -1.840 1.00 0.00 C ATOM 409 CG LEU A 29 3.248 -13.682 -2.485 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.401 -14.514 -1.535 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.506 -12.419 -2.896 1.00 0.00 C ATOM 0 H LEU A 29 6.968 -13.211 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 29 5.664 -13.438 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.961 -14.210 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.416 -12.561 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 29 3.441 -14.274 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.451 -14.755 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.928 -15.436 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.216 -13.948 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.554 -12.689 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.324 -11.801 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.108 -11.861 -3.613 1.00 0.00 H new ATOM 423 N LEU A 30 5.624 -10.480 -2.216 1.00 0.00 N ATOM 424 CA LEU A 30 5.414 -9.055 -2.451 1.00 0.00 C ATOM 425 C LEU A 30 6.308 -8.552 -3.579 1.00 0.00 C ATOM 426 O LEU A 30 5.957 -7.609 -4.289 1.00 0.00 O ATOM 427 CB LEU A 30 5.689 -8.261 -1.173 1.00 0.00 C ATOM 428 CG LEU A 30 5.122 -8.850 0.119 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.341 -7.895 1.282 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.643 -9.166 -0.043 1.00 0.00 C ATOM 0 H LEU A 30 5.934 -10.710 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 30 4.374 -8.909 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.768 -8.158 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.284 -7.257 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 30 5.650 -9.779 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.931 -8.331 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.409 -7.719 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.840 -6.949 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.256 -9.584 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.100 -8.252 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.511 -9.888 -0.848 1.00 0.00 H new ATOM 442 N ARG A 31 7.464 -9.188 -3.740 1.00 0.00 N ATOM 443 CA ARG A 31 8.408 -8.805 -4.783 1.00 0.00 C ATOM 444 C ARG A 31 7.753 -8.870 -6.160 1.00 0.00 C ATOM 445 O ARG A 31 7.868 -7.941 -6.958 1.00 0.00 O ATOM 446 CB ARG A 31 9.637 -9.716 -4.747 1.00 0.00 C ATOM 447 CG ARG A 31 10.582 -9.419 -3.594 1.00 0.00 C ATOM 448 CD ARG A 31 12.003 -9.856 -3.913 1.00 0.00 C ATOM 449 NE ARG A 31 12.742 -8.826 -4.639 1.00 0.00 N ATOM 450 CZ ARG A 31 14.032 -8.922 -4.941 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.722 -9.996 -4.581 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.634 -7.944 -5.605 1.00 0.00 N ATOM 0 H ARG A 31 7.769 -9.971 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 31 8.720 -7.777 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.308 -10.753 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.181 -9.616 -5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.569 -8.351 -3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.235 -9.931 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.526 -10.093 -2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.977 -10.770 -4.507 1.00 0.00 H new ATOM 0 HE ARG A 31 12.240 -7.987 -4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.262 -10.750 -4.071 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.712 -10.068 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.106 -7.117 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.625 -8.019 -5.836 1.00 0.00 H new ATOM 466 N GLY A 32 7.065 -9.975 -6.431 1.00 0.00 N ATOM 467 CA GLY A 32 6.403 -10.141 -7.712 1.00 0.00 C ATOM 468 C GLY A 32 5.003 -9.559 -7.720 1.00 0.00 C ATOM 469 O GLY A 32 4.354 -9.502 -8.764 1.00 0.00 O ATOM 0 H GLY A 32 6.954 -10.758 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.997 -9.661 -8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.354 -11.202 -7.957 1.00 0.00 H new ATOM 473 N ALA A 33 4.536 -9.128 -6.553 1.00 0.00 N ATOM 474 CA ALA A 33 3.205 -8.548 -6.430 1.00 0.00 C ATOM 475 C ALA A 33 3.250 -7.032 -6.589 1.00 0.00 C ATOM 476 O ALA A 33 2.323 -6.426 -7.125 1.00 0.00 O ATOM 477 CB ALA A 33 2.587 -8.922 -5.091 1.00 0.00 C ATOM 0 H ALA A 33 5.060 -9.170 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 33 2.584 -8.953 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.593 -8.482 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.510 -10.007 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.214 -8.546 -4.283 1.00 0.00 H new ATOM 483 N PHE A 34 4.335 -6.425 -6.118 1.00 0.00 N ATOM 484 CA PHE A 34 4.500 -4.978 -6.206 1.00 0.00 C ATOM 485 C PHE A 34 5.337 -4.600 -7.424 1.00 0.00 C ATOM 486 O PHE A 34 5.294 -3.461 -7.890 1.00 0.00 O ATOM 487 CB PHE A 34 5.158 -4.441 -4.934 1.00 0.00 C ATOM 488 CG PHE A 34 4.235 -4.408 -3.749 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.830 -5.583 -3.137 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.773 -3.202 -3.248 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.981 -5.555 -2.047 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.923 -3.168 -2.158 1.00 0.00 C ATOM 493 CZ PHE A 34 2.527 -4.346 -1.556 1.00 0.00 C ATOM 0 H PHE A 34 5.112 -6.912 -5.672 1.00 0.00 H new ATOM 0 HA PHE A 34 3.512 -4.530 -6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.023 -5.059 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.529 -3.434 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.182 -6.531 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.080 -2.278 -3.714 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.672 -6.478 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.569 -2.221 -1.778 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.864 -4.322 -0.704 1.00 0.00 H new ATOM 503 N SER A 35 6.097 -5.563 -7.935 1.00 0.00 N ATOM 504 CA SER A 35 6.948 -5.330 -9.096 1.00 0.00 C ATOM 505 C SER A 35 6.120 -4.875 -10.294 1.00 0.00 C ATOM 506 O SER A 35 6.464 -3.921 -10.993 1.00 0.00 O ATOM 507 CB SER A 35 7.722 -6.601 -9.451 1.00 0.00 C ATOM 508 OG SER A 35 7.930 -6.699 -10.849 1.00 0.00 O ATOM 0 H SER A 35 6.141 -6.512 -7.563 1.00 0.00 H new ATOM 0 HA SER A 35 7.656 -4.540 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.683 -6.601 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.173 -7.475 -9.100 1.00 0.00 H new ATOM 0 HG SER A 35 8.428 -7.519 -11.049 1.00 0.00 H new ATOM 514 N PRO A 36 5.000 -5.572 -10.537 1.00 0.00 N ATOM 515 CA PRO A 36 4.099 -5.259 -11.650 1.00 0.00 C ATOM 516 C PRO A 36 3.766 -3.772 -11.725 1.00 0.00 C ATOM 517 O PRO A 36 3.568 -3.224 -12.810 1.00 0.00 O ATOM 518 CB PRO A 36 2.842 -6.072 -11.328 1.00 0.00 C ATOM 519 CG PRO A 36 3.330 -7.209 -10.499 1.00 0.00 C ATOM 520 CD PRO A 36 4.528 -6.720 -9.745 1.00 0.00 C ATOM 0 HA PRO A 36 4.544 -5.500 -12.615 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.110 -5.472 -10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.355 -6.425 -12.237 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.554 -7.546 -9.812 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.591 -8.060 -11.128 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.267 -6.424 -8.729 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.293 -7.492 -9.666 1.00 0.00 H new ATOM 528 N PHE A 37 3.706 -3.125 -10.566 1.00 0.00 N ATOM 529 CA PHE A 37 3.397 -1.701 -10.501 1.00 0.00 C ATOM 530 C PHE A 37 4.626 -0.861 -10.839 1.00 0.00 C ATOM 531 O PHE A 37 4.524 0.167 -11.507 1.00 0.00 O ATOM 532 CB PHE A 37 2.881 -1.333 -9.109 1.00 0.00 C ATOM 533 CG PHE A 37 1.518 -1.887 -8.808 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.375 -3.152 -8.261 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.379 -1.143 -9.074 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.122 -3.664 -7.983 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.876 -1.650 -8.798 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.005 -2.913 -8.253 1.00 0.00 C ATOM 0 H PHE A 37 3.867 -3.564 -9.659 1.00 0.00 H new ATOM 0 HA PHE A 37 2.621 -1.489 -11.237 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.585 -1.697 -8.361 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.851 -0.247 -9.017 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.253 -3.745 -8.050 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.474 -0.156 -9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.024 -4.651 -7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.756 -1.060 -9.008 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.985 -3.312 -8.039 1.00 0.00 H new ATOM 548 N GLY A 38 5.787 -1.308 -10.372 1.00 0.00 N ATOM 549 CA GLY A 38 7.019 -0.587 -10.633 1.00 0.00 C ATOM 550 C GLY A 38 8.243 -1.332 -10.140 1.00 0.00 C ATOM 551 O GLY A 38 8.251 -2.561 -10.090 1.00 0.00 O ATOM 0 H GLY A 38 5.897 -2.157 -9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.113 -0.410 -11.704 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.974 0.390 -10.151 1.00 0.00 H new ATOM 555 N ASN A 39 9.282 -0.586 -9.777 1.00 0.00 N ATOM 556 CA ASN A 39 10.519 -1.184 -9.288 1.00 0.00 C ATOM 557 C ASN A 39 10.629 -1.043 -7.773 1.00 0.00 C ATOM 558 O ASN A 39 10.461 0.048 -7.227 1.00 0.00 O ATOM 559 CB ASN A 39 11.727 -0.531 -9.961 1.00 0.00 C ATOM 560 CG ASN A 39 13.028 -1.232 -9.621 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.137 -2.453 -9.737 1.00 0.00 O ATOM 562 ND2 ASN A 39 14.023 -0.461 -9.198 1.00 0.00 N ATOM 0 H ASN A 39 9.292 0.433 -9.812 1.00 0.00 H new ATOM 0 HA ASN A 39 10.503 -2.245 -9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.585 -0.538 -11.042 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.789 0.513 -9.655 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.922 -0.877 -8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.888 0.547 -9.117 1.00 0.00 H new ATOM 569 N ILE A 40 10.912 -2.153 -7.099 1.00 0.00 N ATOM 570 CA ILE A 40 11.047 -2.152 -5.648 1.00 0.00 C ATOM 571 C ILE A 40 12.491 -1.900 -5.230 1.00 0.00 C ATOM 572 O ILE A 40 13.374 -2.719 -5.487 1.00 0.00 O ATOM 573 CB ILE A 40 10.573 -3.484 -5.038 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.128 -3.774 -5.451 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.699 -3.448 -3.522 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.704 -5.204 -5.202 1.00 0.00 C ATOM 0 H ILE A 40 11.052 -3.064 -7.535 1.00 0.00 H new ATOM 0 HA ILE A 40 10.417 -1.345 -5.273 1.00 0.00 H new ATOM 0 HB ILE A 40 11.207 -4.285 -5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.462 -3.106 -4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.009 -3.548 -6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.360 -4.397 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.741 -3.283 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.087 -2.638 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.669 -5.337 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.346 -5.878 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.790 -5.429 -4.139 1.00 0.00 H new ATOM 588 N ILE A 41 12.724 -0.763 -4.582 1.00 0.00 N ATOM 589 CA ILE A 41 14.061 -0.405 -4.126 1.00 0.00 C ATOM 590 C ILE A 41 14.225 -0.679 -2.635 1.00 0.00 C ATOM 591 O ILE A 41 15.341 -0.842 -2.142 1.00 0.00 O ATOM 592 CB ILE A 41 14.372 1.078 -4.401 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.198 1.957 -3.963 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.678 1.290 -5.876 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.480 3.439 -4.070 1.00 0.00 C ATOM 0 H ILE A 41 12.004 -0.075 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 41 14.761 -1.024 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 41 15.251 1.363 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.327 1.716 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.941 1.718 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.896 2.343 -6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.541 0.688 -6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.816 0.991 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.605 4.000 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.331 3.694 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.708 3.692 -5.105 1.00 0.00 H new ATOM 607 N ASP A 42 13.105 -0.729 -1.922 1.00 0.00 N ATOM 608 CA ASP A 42 13.123 -0.986 -0.487 1.00 0.00 C ATOM 609 C ASP A 42 11.928 -1.840 -0.072 1.00 0.00 C ATOM 610 O ASP A 42 10.794 -1.360 -0.028 1.00 0.00 O ATOM 611 CB ASP A 42 13.117 0.332 0.289 1.00 0.00 C ATOM 612 CG ASP A 42 13.722 0.192 1.673 1.00 0.00 C ATOM 613 OD1 ASP A 42 14.938 -0.074 1.763 1.00 0.00 O ATOM 614 OD2 ASP A 42 12.979 0.348 2.664 1.00 0.00 O ATOM 0 H ASP A 42 12.173 -0.595 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 42 14.036 -1.533 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.672 1.083 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.092 0.693 0.378 1.00 0.00 H new ATOM 619 N LEU A 43 12.189 -3.107 0.229 1.00 0.00 N ATOM 620 CA LEU A 43 11.136 -4.029 0.638 1.00 0.00 C ATOM 621 C LEU A 43 11.524 -4.767 1.915 1.00 0.00 C ATOM 622 O LEU A 43 12.436 -5.594 1.913 1.00 0.00 O ATOM 623 CB LEU A 43 10.848 -5.034 -0.478 1.00 0.00 C ATOM 624 CG LEU A 43 10.114 -6.309 -0.060 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.848 -5.969 0.710 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.786 -7.159 -1.279 1.00 0.00 C ATOM 0 H LEU A 43 13.121 -3.519 0.197 1.00 0.00 H new ATOM 0 HA LEU A 43 10.235 -3.448 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.258 -4.534 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.795 -5.318 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 43 10.769 -6.884 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.340 -6.889 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.107 -5.402 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.188 -5.372 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.264 -8.062 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.150 -6.591 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.709 -7.433 -1.790 1.00 0.00 H new ATOM 638 N SER A 44 10.825 -4.464 3.004 1.00 0.00 N ATOM 639 CA SER A 44 11.097 -5.097 4.289 1.00 0.00 C ATOM 640 C SER A 44 9.828 -5.710 4.873 1.00 0.00 C ATOM 641 O SER A 44 8.733 -5.173 4.708 1.00 0.00 O ATOM 642 CB SER A 44 11.683 -4.079 5.269 1.00 0.00 C ATOM 643 OG SER A 44 13.096 -4.039 5.179 1.00 0.00 O ATOM 0 H SER A 44 10.065 -3.783 3.022 1.00 0.00 H new ATOM 0 HA SER A 44 11.823 -5.894 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.274 -3.091 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.387 -4.337 6.286 1.00 0.00 H new ATOM 0 HG SER A 44 13.446 -3.380 5.814 1.00 0.00 H new ATOM 649 N MET A 45 9.984 -6.840 5.555 1.00 0.00 N ATOM 650 CA MET A 45 8.851 -7.527 6.165 1.00 0.00 C ATOM 651 C MET A 45 9.045 -7.664 7.671 1.00 0.00 C ATOM 652 O MET A 45 10.155 -7.910 8.144 1.00 0.00 O ATOM 653 CB MET A 45 8.665 -8.908 5.534 1.00 0.00 C ATOM 654 CG MET A 45 7.785 -8.897 4.295 1.00 0.00 C ATOM 655 SD MET A 45 6.036 -9.098 4.683 1.00 0.00 S ATOM 656 CE MET A 45 5.642 -10.559 3.724 1.00 0.00 C ATOM 0 H MET A 45 10.883 -7.299 5.699 1.00 0.00 H new ATOM 0 HA MET A 45 7.957 -6.931 5.985 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.642 -9.313 5.272 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.229 -9.580 6.273 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.929 -7.958 3.760 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.099 -9.697 3.624 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.770 -10.361 3.101 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.490 -10.818 3.090 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.426 -11.389 4.397 1.00 0.00 H new ATOM 666 N ASP A 46 7.960 -7.505 8.420 1.00 0.00 N ATOM 667 CA ASP A 46 8.011 -7.612 9.874 1.00 0.00 C ATOM 668 C ASP A 46 7.006 -8.643 10.378 1.00 0.00 C ATOM 669 O ASP A 46 5.826 -8.351 10.575 1.00 0.00 O ATOM 670 CB ASP A 46 7.733 -6.253 10.517 1.00 0.00 C ATOM 671 CG ASP A 46 8.978 -5.394 10.617 1.00 0.00 C ATOM 672 OD1 ASP A 46 10.092 -5.953 10.541 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.839 -4.162 10.772 1.00 0.00 O ATOM 0 H ASP A 46 7.034 -7.301 8.045 1.00 0.00 H new ATOM 0 HA ASP A 46 9.012 -7.939 10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.978 -5.726 9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.318 -6.404 11.514 1.00 0.00 H new ATOM 678 N PRO A 47 7.482 -9.879 10.592 1.00 0.00 N ATOM 679 CA PRO A 47 6.642 -10.978 11.076 1.00 0.00 C ATOM 680 C PRO A 47 5.794 -10.574 12.277 1.00 0.00 C ATOM 681 O PRO A 47 4.609 -10.896 12.367 1.00 0.00 O ATOM 682 CB PRO A 47 7.657 -12.052 11.474 1.00 0.00 C ATOM 683 CG PRO A 47 8.853 -11.774 10.631 1.00 0.00 C ATOM 684 CD PRO A 47 8.878 -10.298 10.378 1.00 0.00 C ATOM 0 HA PRO A 47 5.927 -11.307 10.322 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.899 -11.994 12.535 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.267 -13.053 11.290 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.764 -12.094 11.137 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.799 -12.325 9.692 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.558 -9.787 11.060 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.213 -10.072 9.366 1.00 0.00 H new ATOM 692 N PRO A 48 6.412 -9.852 13.223 1.00 0.00 N ATOM 693 CA PRO A 48 5.732 -9.387 14.435 1.00 0.00 C ATOM 694 C PRO A 48 4.388 -8.734 14.132 1.00 0.00 C ATOM 695 O PRO A 48 3.338 -9.235 14.537 1.00 0.00 O ATOM 696 CB PRO A 48 6.706 -8.361 15.018 1.00 0.00 C ATOM 697 CG PRO A 48 8.043 -8.777 14.510 1.00 0.00 C ATOM 698 CD PRO A 48 7.823 -9.432 13.181 1.00 0.00 C ATOM 0 HA PRO A 48 5.502 -10.209 15.113 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.457 -7.350 14.695 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.678 -8.363 16.108 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.703 -7.915 14.410 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.522 -9.467 15.205 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.010 -8.741 12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.489 -10.283 13.040 1.00 0.00 H new ATOM 706 N ARG A 49 4.427 -7.614 13.418 1.00 0.00 N ATOM 707 CA ARG A 49 3.212 -6.892 13.061 1.00 0.00 C ATOM 708 C ARG A 49 2.628 -7.422 11.754 1.00 0.00 C ATOM 709 O ARG A 49 1.612 -6.926 11.271 1.00 0.00 O ATOM 710 CB ARG A 49 3.501 -5.396 12.934 1.00 0.00 C ATOM 711 CG ARG A 49 4.183 -4.801 14.155 1.00 0.00 C ATOM 712 CD ARG A 49 3.193 -4.560 15.284 1.00 0.00 C ATOM 713 NE ARG A 49 2.338 -3.404 15.025 1.00 0.00 N ATOM 714 CZ ARG A 49 1.389 -2.990 15.857 1.00 0.00 C ATOM 715 NH1 ARG A 49 1.175 -3.635 16.996 1.00 0.00 N ATOM 716 NH2 ARG A 49 0.653 -1.929 15.552 1.00 0.00 N ATOM 0 H ARG A 49 5.287 -7.187 13.075 1.00 0.00 H new ATOM 0 HA ARG A 49 2.481 -7.047 13.854 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.130 -5.229 12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.564 -4.867 12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.970 -5.473 14.497 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.663 -3.861 13.883 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.573 -5.447 15.418 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.737 -4.407 16.216 1.00 0.00 H new ATOM 0 HE ARG A 49 2.478 -2.886 14.157 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.740 -4.450 17.234 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.446 -3.316 17.634 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.816 -1.430 14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.075 -1.612 16.192 1.00 0.00 H new ATOM 730 N ASN A 50 3.280 -8.432 11.188 1.00 0.00 N ATOM 731 CA ASN A 50 2.827 -9.028 9.936 1.00 0.00 C ATOM 732 C ASN A 50 2.577 -7.954 8.882 1.00 0.00 C ATOM 733 O ASN A 50 1.514 -7.915 8.261 1.00 0.00 O ATOM 734 CB ASN A 50 1.551 -9.840 10.167 1.00 0.00 C ATOM 735 CG ASN A 50 1.745 -10.947 11.185 1.00 0.00 C ATOM 736 OD1 ASN A 50 2.116 -10.693 12.331 1.00 0.00 O ATOM 737 ND2 ASN A 50 1.495 -12.183 10.769 1.00 0.00 N ATOM 0 H ASN A 50 4.123 -8.855 11.576 1.00 0.00 H new ATOM 0 HA ASN A 50 3.611 -9.692 9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.757 -9.175 10.505 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.223 -10.273 9.222 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.609 -12.969 11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.189 -12.346 9.810 1.00 0.00 H new ATOM 744 N CYS A 51 3.563 -7.086 8.684 1.00 0.00 N ATOM 745 CA CYS A 51 3.450 -6.012 7.704 1.00 0.00 C ATOM 746 C CYS A 51 4.651 -6.005 6.764 1.00 0.00 C ATOM 747 O CYS A 51 5.597 -6.772 6.944 1.00 0.00 O ATOM 748 CB CYS A 51 3.333 -4.660 8.410 1.00 0.00 C ATOM 749 SG CYS A 51 4.613 -4.362 9.652 1.00 0.00 S ATOM 0 H CYS A 51 4.449 -7.105 9.189 1.00 0.00 H new ATOM 0 HA CYS A 51 2.550 -6.185 7.114 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.375 -3.867 7.663 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.356 -4.595 8.888 1.00 0.00 H new ATOM 0 HG CYS A 51 4.431 -3.193 10.191 1.00 0.00 H new ATOM 755 N ALA A 52 4.605 -5.136 5.760 1.00 0.00 N ATOM 756 CA ALA A 52 5.689 -5.030 4.791 1.00 0.00 C ATOM 757 C ALA A 52 5.773 -3.621 4.214 1.00 0.00 C ATOM 758 O ALA A 52 4.756 -3.019 3.868 1.00 0.00 O ATOM 759 CB ALA A 52 5.502 -6.048 3.676 1.00 0.00 C ATOM 0 H ALA A 52 3.829 -4.495 5.596 1.00 0.00 H new ATOM 0 HA ALA A 52 6.626 -5.240 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.319 -5.957 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.499 -7.053 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.554 -5.864 3.170 1.00 0.00 H new ATOM 765 N PHE A 53 6.991 -3.099 4.113 1.00 0.00 N ATOM 766 CA PHE A 53 7.208 -1.760 3.579 1.00 0.00 C ATOM 767 C PHE A 53 7.841 -1.823 2.192 1.00 0.00 C ATOM 768 O PHE A 53 9.040 -2.065 2.055 1.00 0.00 O ATOM 769 CB PHE A 53 8.099 -0.949 4.523 1.00 0.00 C ATOM 770 CG PHE A 53 7.685 -1.041 5.964 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.595 -0.324 6.432 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.386 -1.842 6.850 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.211 -0.406 7.757 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.006 -1.928 8.176 1.00 0.00 C ATOM 775 CZ PHE A 53 6.919 -1.209 8.631 1.00 0.00 C ATOM 0 H PHE A 53 7.843 -3.584 4.394 1.00 0.00 H new ATOM 0 HA PHE A 53 6.239 -1.269 3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.128 -1.296 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.084 0.096 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.039 0.306 5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.239 -2.405 6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.359 0.157 8.109 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.560 -2.558 8.856 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.623 -1.274 9.667 1.00 0.00 H new ATOM 785 N VAL A 54 7.026 -1.604 1.165 1.00 0.00 N ATOM 786 CA VAL A 54 7.505 -1.635 -0.211 1.00 0.00 C ATOM 787 C VAL A 54 7.658 -0.225 -0.772 1.00 0.00 C ATOM 788 O VAL A 54 6.699 0.546 -0.815 1.00 0.00 O ATOM 789 CB VAL A 54 6.553 -2.436 -1.119 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.086 -2.483 -2.543 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.351 -3.840 -0.570 1.00 0.00 C ATOM 0 H VAL A 54 6.031 -1.403 1.260 1.00 0.00 H new ATOM 0 HA VAL A 54 8.479 -2.125 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 54 5.586 -1.934 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.400 -3.053 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.175 -1.469 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.066 -2.961 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.676 -4.392 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.311 -4.354 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.921 -3.781 0.430 1.00 0.00 H new ATOM 801 N THR A 55 8.871 0.106 -1.203 1.00 0.00 N ATOM 802 CA THR A 55 9.151 1.423 -1.761 1.00 0.00 C ATOM 803 C THR A 55 9.296 1.359 -3.277 1.00 0.00 C ATOM 804 O THR A 55 9.934 0.452 -3.811 1.00 0.00 O ATOM 805 CB THR A 55 10.434 2.027 -1.159 1.00 0.00 C ATOM 806 OG1 THR A 55 10.329 2.079 0.268 1.00 0.00 O ATOM 807 CG2 THR A 55 10.681 3.425 -1.705 1.00 0.00 C ATOM 0 H THR A 55 9.676 -0.520 -1.176 1.00 0.00 H new ATOM 0 HA THR A 55 8.304 2.060 -1.507 1.00 0.00 H new ATOM 0 HB THR A 55 11.274 1.391 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.072 2.604 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.592 3.831 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.790 3.378 -2.789 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.838 4.068 -1.452 1.00 0.00 H new ATOM 815 N TYR A 56 8.700 2.326 -3.965 1.00 0.00 N ATOM 816 CA TYR A 56 8.761 2.378 -5.421 1.00 0.00 C ATOM 817 C TYR A 56 9.762 3.431 -5.887 1.00 0.00 C ATOM 818 O TYR A 56 9.904 4.484 -5.268 1.00 0.00 O ATOM 819 CB TYR A 56 7.379 2.681 -6.000 1.00 0.00 C ATOM 820 CG TYR A 56 6.452 1.486 -6.012 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.863 0.268 -6.539 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.165 1.575 -5.497 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.020 -0.826 -6.552 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.315 0.486 -5.504 1.00 0.00 C ATOM 825 CZ TYR A 56 4.747 -0.712 -6.033 1.00 0.00 C ATOM 826 OH TYR A 56 3.903 -1.799 -6.044 1.00 0.00 O ATOM 0 H TYR A 56 8.169 3.085 -3.538 1.00 0.00 H new ATOM 0 HA TYR A 56 9.092 1.404 -5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.919 3.481 -5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.494 3.051 -7.019 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.859 0.175 -6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.823 2.512 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.356 -1.765 -6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.318 0.572 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 56 4.221 -2.454 -6.700 1.00 0.00 H new ATOM 836 N GLU A 57 10.454 3.136 -6.983 1.00 0.00 N ATOM 837 CA GLU A 57 11.442 4.057 -7.533 1.00 0.00 C ATOM 838 C GLU A 57 10.809 5.409 -7.848 1.00 0.00 C ATOM 839 O GLU A 57 11.497 6.428 -7.924 1.00 0.00 O ATOM 840 CB GLU A 57 12.072 3.469 -8.797 1.00 0.00 C ATOM 841 CG GLU A 57 12.857 4.482 -9.614 1.00 0.00 C ATOM 842 CD GLU A 57 13.803 3.828 -10.602 1.00 0.00 C ATOM 843 OE1 GLU A 57 13.368 2.895 -11.309 1.00 0.00 O ATOM 844 OE2 GLU A 57 14.977 4.248 -10.668 1.00 0.00 O ATOM 0 H GLU A 57 10.349 2.267 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 57 12.220 4.205 -6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.734 2.650 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.286 3.043 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.162 5.125 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.427 5.123 -8.941 1.00 0.00 H new ATOM 851 N LYS A 58 9.493 5.412 -8.032 1.00 0.00 N ATOM 852 CA LYS A 58 8.765 6.637 -8.338 1.00 0.00 C ATOM 853 C LYS A 58 7.585 6.821 -7.389 1.00 0.00 C ATOM 854 O LYS A 58 7.153 5.875 -6.730 1.00 0.00 O ATOM 855 CB LYS A 58 8.269 6.612 -9.786 1.00 0.00 C ATOM 856 CG LYS A 58 9.389 6.581 -10.812 1.00 0.00 C ATOM 857 CD LYS A 58 9.865 7.982 -11.159 1.00 0.00 C ATOM 858 CE LYS A 58 8.908 8.675 -12.116 1.00 0.00 C ATOM 859 NZ LYS A 58 9.248 8.397 -13.539 1.00 0.00 N ATOM 0 H LYS A 58 8.908 4.578 -7.974 1.00 0.00 H new ATOM 0 HA LYS A 58 9.447 7.477 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.633 5.738 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.649 7.490 -9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.224 5.998 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.043 6.079 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.960 8.571 -10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.856 7.929 -11.609 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.889 8.343 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.934 9.750 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.572 8.887 -14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.211 8.736 -13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.199 7.373 -13.714 1.00 0.00 H new ATOM 873 N MET A 59 7.068 8.044 -7.325 1.00 0.00 N ATOM 874 CA MET A 59 5.936 8.350 -6.458 1.00 0.00 C ATOM 875 C MET A 59 4.618 7.984 -7.134 1.00 0.00 C ATOM 876 O MET A 59 3.624 7.706 -6.465 1.00 0.00 O ATOM 877 CB MET A 59 5.937 9.834 -6.087 1.00 0.00 C ATOM 878 CG MET A 59 5.830 10.760 -7.287 1.00 0.00 C ATOM 879 SD MET A 59 5.252 12.409 -6.842 1.00 0.00 S ATOM 880 CE MET A 59 6.649 13.014 -5.898 1.00 0.00 C ATOM 0 H MET A 59 7.415 8.838 -7.863 1.00 0.00 H new ATOM 0 HA MET A 59 6.035 7.755 -5.550 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.105 10.032 -5.411 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.853 10.063 -5.542 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.805 10.838 -7.769 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.148 10.325 -8.017 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.443 14.027 -5.552 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.816 12.364 -5.039 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.539 13.019 -6.528 1.00 0.00 H new ATOM 890 N GLU A 60 4.620 7.986 -8.463 1.00 0.00 N ATOM 891 CA GLU A 60 3.423 7.655 -9.228 1.00 0.00 C ATOM 892 C GLU A 60 2.912 6.264 -8.863 1.00 0.00 C ATOM 893 O GLU A 60 1.704 6.029 -8.811 1.00 0.00 O ATOM 894 CB GLU A 60 3.715 7.725 -10.729 1.00 0.00 C ATOM 895 CG GLU A 60 4.956 6.953 -11.145 1.00 0.00 C ATOM 896 CD GLU A 60 5.007 6.692 -12.638 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.057 6.077 -13.166 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.997 7.103 -13.278 1.00 0.00 O ATOM 0 H GLU A 60 5.436 8.213 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 60 2.651 8.384 -8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.856 7.337 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.833 8.769 -11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.844 7.511 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.984 6.002 -10.613 1.00 0.00 H new ATOM 905 N SER A 61 3.839 5.346 -8.612 1.00 0.00 N ATOM 906 CA SER A 61 3.483 3.977 -8.256 1.00 0.00 C ATOM 907 C SER A 61 2.872 3.921 -6.859 1.00 0.00 C ATOM 908 O SER A 61 1.870 3.241 -6.635 1.00 0.00 O ATOM 909 CB SER A 61 4.716 3.074 -8.323 1.00 0.00 C ATOM 910 OG SER A 61 5.093 2.823 -9.666 1.00 0.00 O ATOM 0 H SER A 61 4.843 5.525 -8.648 1.00 0.00 H new ATOM 0 HA SER A 61 2.742 3.622 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.544 3.544 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.507 2.131 -7.818 1.00 0.00 H new ATOM 0 HG SER A 61 4.833 1.911 -9.914 1.00 0.00 H new ATOM 916 N ALA A 62 3.482 4.640 -5.924 1.00 0.00 N ATOM 917 CA ALA A 62 2.998 4.674 -4.549 1.00 0.00 C ATOM 918 C ALA A 62 1.476 4.750 -4.505 1.00 0.00 C ATOM 919 O ALA A 62 0.822 3.927 -3.865 1.00 0.00 O ATOM 920 CB ALA A 62 3.609 5.851 -3.803 1.00 0.00 C ATOM 0 H ALA A 62 4.313 5.207 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 62 3.304 3.750 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.239 5.864 -2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.695 5.753 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.332 6.780 -4.300 1.00 0.00 H new ATOM 926 N ASP A 63 0.918 5.744 -5.188 1.00 0.00 N ATOM 927 CA ASP A 63 -0.528 5.927 -5.228 1.00 0.00 C ATOM 928 C ASP A 63 -1.201 4.785 -5.983 1.00 0.00 C ATOM 929 O ASP A 63 -2.268 4.313 -5.591 1.00 0.00 O ATOM 930 CB ASP A 63 -0.877 7.264 -5.884 1.00 0.00 C ATOM 931 CG ASP A 63 -2.364 7.555 -5.851 1.00 0.00 C ATOM 932 OD1 ASP A 63 -2.849 8.053 -4.812 1.00 0.00 O ATOM 933 OD2 ASP A 63 -3.044 7.287 -6.863 1.00 0.00 O ATOM 0 H ASP A 63 1.445 6.435 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.897 5.927 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.342 8.066 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.534 7.258 -6.919 1.00 0.00 H new ATOM 938 N GLN A 64 -0.570 4.347 -7.067 1.00 0.00 N ATOM 939 CA GLN A 64 -1.109 3.261 -7.878 1.00 0.00 C ATOM 940 C GLN A 64 -1.373 2.025 -7.025 1.00 0.00 C ATOM 941 O GLN A 64 -2.520 1.622 -6.838 1.00 0.00 O ATOM 942 CB GLN A 64 -0.143 2.916 -9.013 1.00 0.00 C ATOM 943 CG GLN A 64 -0.269 3.833 -10.219 1.00 0.00 C ATOM 944 CD GLN A 64 0.214 3.183 -11.500 1.00 0.00 C ATOM 945 OE1 GLN A 64 1.145 2.377 -11.488 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.418 3.529 -12.615 1.00 0.00 N ATOM 0 H GLN A 64 0.315 4.727 -7.404 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.055 3.594 -8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.879 2.963 -8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.319 1.888 -9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.311 4.130 -10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.303 4.743 -10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.185 4.201 -12.579 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.137 3.123 -13.507 1.00 0.00 H new ATOM 955 N ALA A 65 -0.303 1.427 -6.512 1.00 0.00 N ATOM 956 CA ALA A 65 -0.419 0.237 -5.678 1.00 0.00 C ATOM 957 C ALA A 65 -1.491 0.419 -4.609 1.00 0.00 C ATOM 958 O ALA A 65 -2.408 -0.394 -4.491 1.00 0.00 O ATOM 959 CB ALA A 65 0.921 -0.090 -5.035 1.00 0.00 C ATOM 0 H ALA A 65 0.654 1.747 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.716 -0.596 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.819 -0.981 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.663 -0.272 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.242 0.748 -4.416 1.00 0.00 H new ATOM 965 N VAL A 66 -1.368 1.489 -3.830 1.00 0.00 N ATOM 966 CA VAL A 66 -2.327 1.778 -2.770 1.00 0.00 C ATOM 967 C VAL A 66 -3.749 1.836 -3.317 1.00 0.00 C ATOM 968 O VAL A 66 -4.718 1.725 -2.566 1.00 0.00 O ATOM 969 CB VAL A 66 -2.003 3.110 -2.068 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.221 3.630 -1.321 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.821 2.941 -1.126 1.00 0.00 C ATOM 0 H VAL A 66 -0.613 2.170 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.253 0.967 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.732 3.844 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.973 4.572 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.038 3.791 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.527 2.901 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.606 3.892 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.061 2.192 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.052 2.618 -1.692 1.00 0.00 H new ATOM 981 N ALA A 67 -3.866 2.011 -4.629 1.00 0.00 N ATOM 982 CA ALA A 67 -5.170 2.081 -5.276 1.00 0.00 C ATOM 983 C ALA A 67 -5.640 0.699 -5.716 1.00 0.00 C ATOM 984 O ALA A 67 -6.820 0.370 -5.605 1.00 0.00 O ATOM 985 CB ALA A 67 -5.117 3.027 -6.467 1.00 0.00 C ATOM 0 H ALA A 67 -3.074 2.107 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.888 2.466 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.097 3.070 -6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.834 4.023 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.382 2.666 -7.186 1.00 0.00 H new ATOM 991 N GLU A 68 -4.708 -0.106 -6.217 1.00 0.00 N ATOM 992 CA GLU A 68 -5.029 -1.453 -6.676 1.00 0.00 C ATOM 993 C GLU A 68 -4.702 -2.486 -5.601 1.00 0.00 C ATOM 994 O GLU A 68 -5.576 -3.227 -5.150 1.00 0.00 O ATOM 995 CB GLU A 68 -4.261 -1.775 -7.959 1.00 0.00 C ATOM 996 CG GLU A 68 -4.580 -0.837 -9.111 1.00 0.00 C ATOM 997 CD GLU A 68 -5.887 -1.182 -9.799 1.00 0.00 C ATOM 998 OE1 GLU A 68 -6.023 -2.328 -10.276 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.773 -0.304 -9.860 1.00 0.00 O ATOM 0 H GLU A 68 -3.726 0.151 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.099 -1.494 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.192 -1.733 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.487 -2.798 -8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.629 0.186 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.770 -0.873 -9.839 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.437 -2.528 -5.196 1.00 0.00 N ATOM 1007 CA LEU A 69 -2.993 -3.470 -4.174 1.00 0.00 C ATOM 1008 C LEU A 69 -3.814 -3.318 -2.898 1.00 0.00 C ATOM 1009 O LEU A 69 -3.790 -4.184 -2.025 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.509 -3.258 -3.868 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.525 -3.810 -4.900 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.870 -3.917 -4.303 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -0.993 -5.165 -5.412 1.00 0.00 C ATOM 0 H LEU A 69 -2.702 -1.922 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.138 -4.480 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.330 -2.188 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.288 -3.716 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.486 -3.119 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.557 -4.312 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.207 -2.930 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.847 -4.586 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.281 -5.543 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.062 -5.865 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.972 -5.059 -5.879 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.543 -2.210 -2.799 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.374 -1.945 -1.630 1.00 0.00 C ATOM 1027 C ASN A 70 -6.575 -2.884 -1.592 1.00 0.00 C ATOM 1028 O ASN A 70 -7.448 -2.828 -2.457 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.849 -0.491 -1.636 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.195 -0.320 -0.959 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.454 -0.909 0.091 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -8.060 0.491 -1.558 1.00 0.00 N ATOM 0 H ASN A 70 -4.575 -1.483 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.771 -2.120 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.110 0.132 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.915 -0.137 -2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.981 0.646 -1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.803 0.959 -2.427 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.613 -3.748 -0.581 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.711 -4.687 -0.448 1.00 0.00 C ATOM 1041 C GLY A 71 -7.730 -5.718 -1.559 1.00 0.00 C ATOM 1042 O GLY A 71 -8.757 -6.346 -1.818 1.00 0.00 O ATOM 0 H GLY A 71 -5.903 -3.814 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.636 -5.195 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.654 -4.141 -0.447 1.00 0.00 H new ATOM 1046 N THR A 72 -6.590 -5.895 -2.220 1.00 0.00 N ATOM 1047 CA THR A 72 -6.479 -6.855 -3.310 1.00 0.00 C ATOM 1048 C THR A 72 -6.120 -8.242 -2.788 1.00 0.00 C ATOM 1049 O THR A 72 -5.413 -8.374 -1.790 1.00 0.00 O ATOM 1050 CB THR A 72 -5.421 -6.417 -4.340 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.663 -7.060 -5.596 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.020 -6.755 -3.853 1.00 0.00 C ATOM 0 H THR A 72 -5.730 -5.385 -2.019 1.00 0.00 H new ATOM 0 HA THR A 72 -7.454 -6.894 -3.796 1.00 0.00 H new ATOM 0 HB THR A 72 -5.494 -5.337 -4.466 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.987 -6.774 -6.245 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.290 -6.436 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.828 -6.240 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.937 -7.831 -3.701 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.611 -9.271 -3.470 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.341 -10.648 -3.074 1.00 0.00 C ATOM 1062 C GLN A 73 -5.364 -11.311 -4.039 1.00 0.00 C ATOM 1063 O GLN A 73 -5.762 -11.834 -5.080 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.642 -11.450 -3.017 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.492 -12.808 -2.352 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.767 -13.627 -2.402 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.869 -13.080 -2.411 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.622 -14.947 -2.434 1.00 0.00 N ATOM 0 H GLN A 73 -7.198 -9.178 -4.299 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.889 -10.631 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.392 -10.872 -2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.017 -11.591 -4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.690 -13.361 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.195 -12.668 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.688 -15.358 -2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.444 -15.550 -2.468 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.082 -11.285 -3.687 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.048 -11.884 -4.522 1.00 0.00 C ATOM 1079 C VAL A 74 -2.483 -13.145 -3.878 1.00 0.00 C ATOM 1080 O VAL A 74 -2.287 -13.199 -2.664 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.896 -10.895 -4.784 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.443 -9.529 -5.170 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.994 -10.793 -3.564 1.00 0.00 C ATOM 0 H VAL A 74 -3.735 -10.855 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.518 -12.143 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.300 -11.269 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.615 -8.844 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.044 -9.620 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.063 -9.143 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.186 -10.090 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.574 -10.442 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.574 -11.773 -3.339 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.224 -14.158 -4.699 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.682 -15.419 -4.208 1.00 0.00 C ATOM 1095 C GLU A 75 -2.561 -15.995 -3.102 1.00 0.00 C ATOM 1096 O GLU A 75 -2.063 -16.585 -2.143 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.256 -15.220 -3.690 1.00 0.00 C ATOM 1098 CG GLU A 75 0.703 -14.682 -4.739 1.00 0.00 C ATOM 1099 CD GLU A 75 0.966 -15.676 -5.853 1.00 0.00 C ATOM 1100 OE1 GLU A 75 1.806 -16.579 -5.655 1.00 0.00 O ATOM 1101 OE2 GLU A 75 0.334 -15.550 -6.923 1.00 0.00 O ATOM 0 H GLU A 75 -2.381 -14.130 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.664 -16.125 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.278 -14.533 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.123 -16.172 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.294 -13.765 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.647 -14.418 -4.262 1.00 0.00 H new ATOM 1108 N SER A 76 -3.871 -15.818 -3.242 1.00 0.00 N ATOM 1109 CA SER A 76 -4.820 -16.316 -2.253 1.00 0.00 C ATOM 1110 C SER A 76 -4.598 -15.644 -0.901 1.00 0.00 C ATOM 1111 O SER A 76 -4.894 -16.218 0.147 1.00 0.00 O ATOM 1112 CB SER A 76 -4.689 -17.833 -2.108 1.00 0.00 C ATOM 1113 OG SER A 76 -5.109 -18.496 -3.288 1.00 0.00 O ATOM 0 H SER A 76 -4.299 -15.333 -4.031 1.00 0.00 H new ATOM 0 HA SER A 76 -5.826 -16.077 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.653 -18.093 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.287 -18.174 -1.263 1.00 0.00 H new ATOM 0 HG SER A 76 -5.014 -19.464 -3.171 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.075 -14.422 -0.934 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.815 -13.670 0.287 1.00 0.00 C ATOM 1121 C VAL A 77 -4.219 -12.208 0.129 1.00 0.00 C ATOM 1122 O VAL A 77 -3.750 -11.520 -0.777 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.328 -13.740 0.683 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -1.990 -12.649 1.688 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.990 -15.114 1.242 1.00 0.00 C ATOM 0 H VAL A 77 -3.823 -13.933 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.415 -14.127 1.074 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.725 -13.577 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.935 -12.715 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.192 -11.673 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.600 -12.777 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.936 -15.146 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.601 -15.308 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.191 -15.874 0.487 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.091 -11.742 1.017 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.558 -10.361 0.975 1.00 0.00 C ATOM 1137 C GLN A 78 -4.488 -9.408 1.498 1.00 0.00 C ATOM 1138 O GLN A 78 -4.148 -9.428 2.682 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.839 -10.209 1.797 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.109 -10.439 0.994 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.243 -10.984 1.839 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.300 -12.180 2.125 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.155 -10.107 2.243 1.00 0.00 N ATOM 0 H GLN A 78 -5.488 -12.299 1.773 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.769 -10.106 -0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.813 -10.913 2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.868 -9.208 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.420 -9.500 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.900 -11.135 0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.068 -9.125 1.983 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.942 -10.416 2.814 1.00 0.00 H new ATOM 1152 N LEU A 79 -3.960 -8.574 0.608 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.928 -7.613 0.980 1.00 0.00 C ATOM 1154 C LEU A 79 -3.524 -6.223 1.178 1.00 0.00 C ATOM 1155 O LEU A 79 -4.291 -5.740 0.345 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.838 -7.565 -0.093 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.921 -8.786 -0.173 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.310 -8.475 -1.010 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.518 -9.242 1.222 1.00 0.00 C ATOM 0 H LEU A 79 -4.230 -8.544 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.487 -7.937 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.317 -7.431 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.222 -6.683 0.083 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.468 -9.596 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.951 -9.356 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.004 -8.196 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.859 -7.650 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.134 -10.112 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.010 -8.435 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.410 -9.506 1.790 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.164 -5.583 2.285 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.659 -4.247 2.592 1.00 0.00 C ATOM 1173 C LYS A 80 -2.537 -3.217 2.506 1.00 0.00 C ATOM 1174 O LYS A 80 -1.693 -3.129 3.398 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.284 -4.220 3.989 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.666 -4.848 4.050 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.975 -5.384 5.438 1.00 0.00 C ATOM 1178 CE LYS A 80 -6.428 -4.275 6.375 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.723 -3.680 5.943 1.00 0.00 N ATOM 0 H LYS A 80 -2.530 -5.969 2.985 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.420 -3.991 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.626 -4.743 4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.349 -3.186 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.416 -4.108 3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.731 -5.658 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.752 -6.145 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.089 -5.869 5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.529 -4.672 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.665 -3.497 6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.197 -3.248 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.547 -2.952 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.331 -4.424 5.544 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.535 -2.439 1.428 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.518 -1.414 1.228 1.00 0.00 C ATOM 1195 C VAL A 81 -2.067 -0.027 1.542 1.00 0.00 C ATOM 1196 O VAL A 81 -3.246 0.248 1.327 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.985 -1.428 -0.217 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.239 -0.534 -0.344 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.663 -2.850 -0.653 1.00 0.00 C ATOM 0 H VAL A 81 -3.226 -2.499 0.680 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.700 -1.641 1.912 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.761 -1.037 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.601 -0.557 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.028 0.488 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.022 -0.892 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.288 -2.841 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.095 -3.270 0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.566 -3.459 -0.603 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.202 0.844 2.052 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.600 2.204 2.396 1.00 0.00 C ATOM 1211 C ASN A 82 -0.423 3.166 2.262 1.00 0.00 C ATOM 1212 O ASN A 82 0.736 2.751 2.285 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.151 2.251 3.822 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.173 3.355 4.011 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -2.820 4.506 4.268 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.449 3.009 3.885 1.00 0.00 N ATOM 0 H ASN A 82 -0.221 0.632 2.236 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.381 2.514 1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.608 1.291 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.328 2.398 4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.181 3.709 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.697 2.043 3.671 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.729 4.451 2.123 1.00 0.00 N ATOM 1224 CA ILE A 83 0.303 5.472 1.987 1.00 0.00 C ATOM 1225 C ILE A 83 0.947 5.784 3.334 1.00 0.00 C ATOM 1226 O ILE A 83 0.440 6.602 4.101 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.266 6.772 1.389 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.174 6.456 0.198 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.864 7.701 0.970 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.433 5.889 -0.992 1.00 0.00 C ATOM 0 H ILE A 83 -1.683 4.810 2.102 1.00 0.00 H new ATOM 0 HA ILE A 83 1.057 5.071 1.310 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.860 7.276 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.938 5.745 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.691 7.366 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.446 8.616 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.474 7.947 1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.483 7.207 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.139 5.689 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.313 6.607 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.062 4.961 -0.704 1.00 0.00 H new ATOM 1242 N ALA A 84 2.069 5.129 3.613 1.00 0.00 N ATOM 1243 CA ALA A 84 2.785 5.339 4.865 1.00 0.00 C ATOM 1244 C ALA A 84 2.745 6.806 5.281 1.00 0.00 C ATOM 1245 O ALA A 84 2.861 7.701 4.444 1.00 0.00 O ATOM 1246 CB ALA A 84 4.225 4.865 4.735 1.00 0.00 C ATOM 0 H ALA A 84 2.502 4.448 2.989 1.00 0.00 H new ATOM 0 HA ALA A 84 2.290 4.755 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.748 5.028 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.238 3.803 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.722 5.425 3.943 1.00 0.00 H new