USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 757 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 99 ASN :FLIP amide:sc= -4.08 F(o=-4.7!,f=-4.1) USER MOD Set 1.2: A 101 ASN :FLIP amide:sc= 0 X(o=-4.1,f=-4.1) USER MOD Set 2.1: A 74 ASN : amide:sc= -10.2! C(o=-12!,f=-24!) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 141:sc= -1.34 (180deg=-0.307) USER MOD Set 3.1: A 47 CYS SG : rot -155:sc= 0.112 USER MOD Set 3.2: A 49 HIS : no HE2:sc= -5.23! C(o=-7!,f=-13!) USER MOD Set 3.3: A 50 CYS SG : rot 120:sc= -1.92 USER MOD Set 4.1: A 28 ASN : amide:sc= -2.43 K(o=-3.5,f=-5.5!) USER MOD Set 4.2: A 33 GLN :FLIP amide:sc= -1.05 F(o=-6.3,f=-3.5) USER MOD Set 5.1: A 23 THR OG1 : rot -113:sc= 1.32 USER MOD Set 5.2: A 26 ASN : amide:sc= -1.63! K(o=-0.3!,f=-1.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -146:sc= 1.69 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.1 X(o=-3.1,f=-2.7) USER MOD Single : A 54 THR OG1 : rot 87:sc= 0.914 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0596) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -5.58! C(o=-6.9!,f=-5.6!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 58:sc= 1.32 USER MOD Single : A 88 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.3!) USER MOD Single : A 92 THR OG1 : rot 66:sc= 0.74 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 1.16 (180deg=0.978) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 110:sc= -0.622 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.593 2.449 -11.761 1.00 0.00 N ATOM 196 CA ASP A 18 7.239 1.036 -11.698 1.00 0.00 C ATOM 197 C ASP A 18 6.028 0.819 -10.795 1.00 0.00 C ATOM 198 O ASP A 18 5.408 -0.245 -10.816 1.00 0.00 O ATOM 199 CB ASP A 18 8.424 0.213 -11.189 1.00 0.00 C ATOM 200 CG ASP A 18 9.642 0.340 -12.082 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.044 1.485 -12.378 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.193 -0.705 -12.487 1.00 0.00 O ATOM 0 HA ASP A 18 6.983 0.706 -12.705 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.681 0.537 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.133 -0.835 -11.123 1.00 0.00 H new ATOM 207 N VAL A 19 5.698 1.833 -10.003 1.00 0.00 N ATOM 208 CA VAL A 19 4.561 1.754 -9.092 1.00 0.00 C ATOM 209 C VAL A 19 3.245 1.711 -9.859 1.00 0.00 C ATOM 210 O VAL A 19 3.018 2.510 -10.768 1.00 0.00 O ATOM 211 CB VAL A 19 4.538 2.947 -8.119 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.267 2.929 -7.282 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.772 2.933 -7.230 1.00 0.00 C ATOM 0 H VAL A 19 6.201 2.720 -9.973 1.00 0.00 H new ATOM 0 HA VAL A 19 4.675 0.832 -8.521 1.00 0.00 H new ATOM 0 HB VAL A 19 4.548 3.869 -8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.268 3.779 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.399 2.991 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.223 2.004 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.739 3.783 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.795 2.008 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.667 2.998 -7.849 1.00 0.00 H new ATOM 223 N ILE A 20 2.379 0.775 -9.487 1.00 0.00 N ATOM 224 CA ILE A 20 1.084 0.629 -10.139 1.00 0.00 C ATOM 225 C ILE A 20 0.024 1.485 -9.453 1.00 0.00 C ATOM 226 O ILE A 20 -0.254 1.313 -8.267 1.00 0.00 O ATOM 227 CB ILE A 20 0.617 -0.839 -10.144 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.532 -1.684 -11.032 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.825 -0.934 -10.617 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.417 -3.171 -10.777 1.00 0.00 C ATOM 0 H ILE A 20 2.551 0.106 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 20 1.210 0.965 -11.168 1.00 0.00 H new ATOM 0 HB ILE A 20 0.671 -1.226 -9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.297 -1.484 -12.077 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.565 -1.375 -10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.141 -1.977 -10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.466 -0.360 -9.948 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.904 -0.533 -11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.094 -3.708 -11.442 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.681 -3.384 -9.741 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.393 -3.494 -10.964 1.00 0.00 H new ATOM 242 N GLU A 21 -0.565 2.406 -10.209 1.00 0.00 N ATOM 243 CA GLU A 21 -1.595 3.288 -9.674 1.00 0.00 C ATOM 244 C GLU A 21 -2.851 2.500 -9.310 1.00 0.00 C ATOM 245 O GLU A 21 -3.670 2.182 -10.173 1.00 0.00 O ATOM 246 CB GLU A 21 -1.942 4.380 -10.689 1.00 0.00 C ATOM 247 CG GLU A 21 -2.926 5.410 -10.162 1.00 0.00 C ATOM 248 CD GLU A 21 -2.552 5.924 -8.785 1.00 0.00 C ATOM 249 OE1 GLU A 21 -1.356 6.208 -8.563 1.00 0.00 O ATOM 250 OE2 GLU A 21 -3.454 6.043 -7.930 1.00 0.00 O ATOM 0 H GLU A 21 -0.347 2.561 -11.193 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.203 3.754 -8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.026 4.887 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.359 3.915 -11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.976 6.248 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.922 4.969 -10.123 1.00 0.00 H new ATOM 257 N LEU A 22 -2.995 2.189 -8.027 1.00 0.00 N ATOM 258 CA LEU A 22 -4.150 1.437 -7.547 1.00 0.00 C ATOM 259 C LEU A 22 -5.328 2.367 -7.273 1.00 0.00 C ATOM 260 O LEU A 22 -5.160 3.455 -6.722 1.00 0.00 O ATOM 261 CB LEU A 22 -3.788 0.665 -6.277 1.00 0.00 C ATOM 262 CG LEU A 22 -2.858 -0.535 -6.463 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.452 -1.109 -5.115 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.527 -1.600 -7.319 1.00 0.00 C ATOM 0 H LEU A 22 -2.327 2.445 -7.300 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.442 0.730 -8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.320 1.357 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.710 0.316 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.958 -0.197 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.791 -1.962 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.932 -0.345 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.342 -1.432 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.851 -2.446 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.443 -1.935 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.766 -1.183 -8.297 1.00 0.00 H new ATOM 276 N THR A 23 -6.522 1.929 -7.659 1.00 0.00 N ATOM 277 CA THR A 23 -7.729 2.720 -7.454 1.00 0.00 C ATOM 278 C THR A 23 -8.864 1.861 -6.908 1.00 0.00 C ATOM 279 O THR A 23 -8.843 0.633 -6.996 1.00 0.00 O ATOM 280 CB THR A 23 -8.191 3.389 -8.762 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.193 2.586 -9.396 1.00 0.00 O ATOM 282 CG2 THR A 23 -7.019 3.589 -9.711 1.00 0.00 C ATOM 0 H THR A 23 -6.679 1.030 -8.115 1.00 0.00 H new ATOM 0 HA THR A 23 -7.480 3.493 -6.727 1.00 0.00 H new ATOM 0 HB THR A 23 -8.610 4.365 -8.517 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.838 2.220 -10.233 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.370 4.063 -10.628 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.271 4.225 -9.237 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.575 2.623 -9.949 1.00 0.00 H new ATOM 290 N PRO A 24 -9.879 2.519 -6.329 1.00 0.00 N ATOM 291 CA PRO A 24 -11.043 1.834 -5.758 1.00 0.00 C ATOM 292 C PRO A 24 -11.930 1.207 -6.828 1.00 0.00 C ATOM 293 O PRO A 24 -13.092 0.889 -6.577 1.00 0.00 O ATOM 294 CB PRO A 24 -11.792 2.954 -5.031 1.00 0.00 C ATOM 295 CG PRO A 24 -11.388 4.201 -5.739 1.00 0.00 C ATOM 296 CD PRO A 24 -9.970 3.982 -6.188 1.00 0.00 C ATOM 0 HA PRO A 24 -10.752 1.007 -5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.871 2.804 -5.077 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.521 2.992 -3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.041 4.396 -6.590 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.459 5.065 -5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.764 4.490 -7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.254 4.361 -5.458 1.00 0.00 H new ATOM 304 N SER A 25 -11.374 1.032 -8.023 1.00 0.00 N ATOM 305 CA SER A 25 -12.116 0.446 -9.133 1.00 0.00 C ATOM 306 C SER A 25 -11.413 -0.802 -9.657 1.00 0.00 C ATOM 307 O SER A 25 -12.038 -1.669 -10.268 1.00 0.00 O ATOM 308 CB SER A 25 -12.277 1.466 -10.262 1.00 0.00 C ATOM 309 OG SER A 25 -13.456 2.233 -10.092 1.00 0.00 O ATOM 0 H SER A 25 -10.412 1.288 -8.247 1.00 0.00 H new ATOM 0 HA SER A 25 -13.102 0.160 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.410 2.126 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.311 0.949 -11.221 1.00 0.00 H new ATOM 0 HG SER A 25 -13.535 2.878 -10.825 1.00 0.00 H new ATOM 315 N ASN A 26 -10.110 -0.887 -9.413 1.00 0.00 N ATOM 316 CA ASN A 26 -9.320 -2.029 -9.861 1.00 0.00 C ATOM 317 C ASN A 26 -8.576 -2.667 -8.692 1.00 0.00 C ATOM 318 O ASN A 26 -8.081 -3.789 -8.796 1.00 0.00 O ATOM 319 CB ASN A 26 -8.325 -1.596 -10.939 1.00 0.00 C ATOM 320 CG ASN A 26 -7.853 -0.167 -10.750 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.491 0.776 -11.219 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.730 -0.001 -10.060 1.00 0.00 N ATOM 0 H ASN A 26 -9.578 -0.179 -8.907 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.001 -2.768 -10.282 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.464 -2.265 -10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.790 -1.695 -11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.363 0.937 -9.900 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.234 -0.812 -9.690 1.00 0.00 H new ATOM 329 N PHE A 27 -8.502 -1.945 -7.579 1.00 0.00 N ATOM 330 CA PHE A 27 -7.819 -2.440 -6.390 1.00 0.00 C ATOM 331 C PHE A 27 -8.070 -3.933 -6.200 1.00 0.00 C ATOM 332 O PHE A 27 -7.258 -4.639 -5.604 1.00 0.00 O ATOM 333 CB PHE A 27 -8.283 -1.671 -5.152 1.00 0.00 C ATOM 334 CG PHE A 27 -7.490 -1.989 -3.916 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.606 -3.225 -3.301 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.629 -1.051 -3.370 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.877 -3.521 -2.165 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.897 -1.342 -2.234 1.00 0.00 C ATOM 339 CZ PHE A 27 -6.023 -2.578 -1.630 1.00 0.00 C ATOM 0 H PHE A 27 -8.907 -1.015 -7.476 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.749 -2.284 -6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.216 -0.602 -5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.334 -1.895 -4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.274 -3.966 -3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.529 -0.082 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.975 -4.489 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.227 -0.604 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.454 -2.806 -0.741 1.00 0.00 H new ATOM 349 N ASN A 28 -9.203 -4.405 -6.711 1.00 0.00 N ATOM 350 CA ASN A 28 -9.563 -5.814 -6.597 1.00 0.00 C ATOM 351 C ASN A 28 -9.029 -6.610 -7.784 1.00 0.00 C ATOM 352 O ASN A 28 -8.516 -7.717 -7.621 1.00 0.00 O ATOM 353 CB ASN A 28 -11.083 -5.967 -6.509 1.00 0.00 C ATOM 354 CG ASN A 28 -11.499 -7.356 -6.064 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.802 -7.580 -4.892 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.515 -8.297 -7.001 1.00 0.00 N ATOM 0 H ASN A 28 -9.887 -3.833 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.111 -6.207 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.480 -5.230 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.524 -5.753 -7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.786 -9.251 -6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.256 -8.066 -7.960 1.00 0.00 H new ATOM 363 N ARG A 29 -9.152 -6.038 -8.977 1.00 0.00 N ATOM 364 CA ARG A 29 -8.682 -6.694 -10.191 1.00 0.00 C ATOM 365 C ARG A 29 -7.168 -6.564 -10.328 1.00 0.00 C ATOM 366 O ARG A 29 -6.564 -7.148 -11.227 1.00 0.00 O ATOM 367 CB ARG A 29 -9.369 -6.093 -11.419 1.00 0.00 C ATOM 368 CG ARG A 29 -10.750 -6.669 -11.687 1.00 0.00 C ATOM 369 CD ARG A 29 -10.672 -8.125 -12.118 1.00 0.00 C ATOM 370 NE ARG A 29 -11.755 -8.485 -13.030 1.00 0.00 N ATOM 371 CZ ARG A 29 -12.152 -9.734 -13.244 1.00 0.00 C ATOM 372 NH1 ARG A 29 -11.559 -10.738 -12.613 1.00 0.00 N ATOM 373 NH2 ARG A 29 -13.144 -9.981 -14.089 1.00 0.00 N ATOM 0 H ARG A 29 -9.573 -5.122 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.934 -7.752 -10.123 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.454 -5.015 -11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.740 -6.258 -12.294 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.361 -6.587 -10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.245 -6.085 -12.463 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.713 -8.308 -12.603 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.711 -8.766 -11.237 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.233 -7.735 -13.530 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.796 -10.552 -11.962 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.865 -11.697 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.603 -9.211 -14.576 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.448 -10.941 -14.252 1.00 0.00 H new ATOM 387 N GLU A 30 -6.561 -5.794 -9.430 1.00 0.00 N ATOM 388 CA GLU A 30 -5.118 -5.588 -9.452 1.00 0.00 C ATOM 389 C GLU A 30 -4.444 -6.334 -8.304 1.00 0.00 C ATOM 390 O GLU A 30 -3.489 -7.083 -8.512 1.00 0.00 O ATOM 391 CB GLU A 30 -4.793 -4.095 -9.365 1.00 0.00 C ATOM 392 CG GLU A 30 -4.715 -3.409 -10.719 1.00 0.00 C ATOM 393 CD GLU A 30 -3.392 -3.649 -11.419 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.370 -3.806 -10.718 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.378 -3.680 -12.667 1.00 0.00 O ATOM 0 H GLU A 30 -7.046 -5.303 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.735 -5.982 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.553 -3.601 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.842 -3.968 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.527 -3.768 -11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.863 -2.337 -10.588 1.00 0.00 H new ATOM 402 N VAL A 31 -4.947 -6.123 -7.092 1.00 0.00 N ATOM 403 CA VAL A 31 -4.395 -6.775 -5.911 1.00 0.00 C ATOM 404 C VAL A 31 -5.186 -8.028 -5.555 1.00 0.00 C ATOM 405 O VAL A 31 -4.664 -9.142 -5.619 1.00 0.00 O ATOM 406 CB VAL A 31 -4.386 -5.825 -4.698 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.887 -6.549 -3.457 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.534 -4.598 -4.989 1.00 0.00 C ATOM 0 H VAL A 31 -5.736 -5.505 -6.902 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.369 -7.053 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.407 -5.493 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.887 -5.862 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.542 -7.393 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.874 -6.911 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.539 -3.938 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.511 -4.908 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.941 -4.068 -5.850 1.00 0.00 H new ATOM 418 N ILE A 32 -6.446 -7.840 -5.181 1.00 0.00 N ATOM 419 CA ILE A 32 -7.310 -8.956 -4.816 1.00 0.00 C ATOM 420 C ILE A 32 -7.266 -10.053 -5.874 1.00 0.00 C ATOM 421 O ILE A 32 -7.369 -11.238 -5.558 1.00 0.00 O ATOM 422 CB ILE A 32 -8.769 -8.500 -4.626 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.839 -7.350 -3.619 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.632 -9.666 -4.168 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.379 -7.733 -2.230 1.00 0.00 C ATOM 0 H ILE A 32 -6.892 -6.925 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.935 -9.350 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.151 -8.144 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.227 -6.524 -3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.865 -6.987 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.660 -9.329 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.602 -10.457 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.253 -10.049 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.456 -6.869 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.006 -8.538 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.343 -8.068 -2.269 1.00 0.00 H new ATOM 437 N GLN A 33 -7.111 -9.650 -7.131 1.00 0.00 N ATOM 438 CA GLN A 33 -7.052 -10.599 -8.236 1.00 0.00 C ATOM 439 C GLN A 33 -5.606 -10.914 -8.607 1.00 0.00 C ATOM 440 O GLN A 33 -5.301 -11.204 -9.763 1.00 0.00 O ATOM 441 CB GLN A 33 -7.794 -10.045 -9.453 1.00 0.00 C ATOM 442 CG GLN A 33 -9.307 -10.071 -9.307 1.00 0.00 C ATOM 443 CD GLN A 33 -9.788 -11.196 -8.412 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.067 -10.874 -7.155 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -9.906 -12.342 -8.846 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.024 -8.673 -7.409 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.535 -11.522 -7.915 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.472 -9.019 -9.628 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.512 -10.622 -10.334 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.645 -9.118 -8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.761 -10.176 -10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.680 -12.544 -9.820 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.230 -13.089 -8.232 1.00 0.00 H new ATOM 454 N SER A 34 -4.721 -10.855 -7.618 1.00 0.00 N ATOM 455 CA SER A 34 -3.306 -11.129 -7.841 1.00 0.00 C ATOM 456 C SER A 34 -2.789 -12.163 -6.844 1.00 0.00 C ATOM 457 O SER A 34 -2.391 -11.822 -5.730 1.00 0.00 O ATOM 458 CB SER A 34 -2.490 -9.840 -7.725 1.00 0.00 C ATOM 459 OG SER A 34 -1.102 -10.103 -7.841 1.00 0.00 O ATOM 0 H SER A 34 -4.958 -10.620 -6.654 1.00 0.00 H new ATOM 0 HA SER A 34 -3.194 -11.532 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.797 -9.140 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.694 -9.362 -6.767 1.00 0.00 H new ATOM 0 HG SER A 34 -0.603 -9.483 -7.269 1.00 0.00 H new ATOM 465 N ASP A 35 -2.799 -13.426 -7.254 1.00 0.00 N ATOM 466 CA ASP A 35 -2.330 -14.511 -6.399 1.00 0.00 C ATOM 467 C ASP A 35 -0.984 -14.164 -5.770 1.00 0.00 C ATOM 468 O ASP A 35 -0.651 -14.646 -4.688 1.00 0.00 O ATOM 469 CB ASP A 35 -2.214 -15.808 -7.201 1.00 0.00 C ATOM 470 CG ASP A 35 -1.648 -16.949 -6.379 1.00 0.00 C ATOM 471 OD1 ASP A 35 -2.091 -17.124 -5.224 1.00 0.00 O ATOM 472 OD2 ASP A 35 -0.764 -17.666 -6.890 1.00 0.00 O ATOM 0 H ASP A 35 -3.127 -13.724 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.058 -14.652 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.198 -16.088 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.577 -15.639 -8.069 1.00 0.00 H new ATOM 477 N GLY A 36 -0.214 -13.327 -6.457 1.00 0.00 N ATOM 478 CA GLY A 36 1.088 -12.931 -5.951 1.00 0.00 C ATOM 479 C GLY A 36 0.989 -11.950 -4.800 1.00 0.00 C ATOM 480 O GLY A 36 -0.100 -11.697 -4.283 1.00 0.00 O ATOM 0 H GLY A 36 -0.468 -12.916 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.632 -13.817 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.667 -12.482 -6.758 1.00 0.00 H new ATOM 484 N LEU A 37 2.127 -11.398 -4.396 1.00 0.00 N ATOM 485 CA LEU A 37 2.165 -10.439 -3.297 1.00 0.00 C ATOM 486 C LEU A 37 1.941 -9.019 -3.805 1.00 0.00 C ATOM 487 O LEU A 37 2.345 -8.675 -4.916 1.00 0.00 O ATOM 488 CB LEU A 37 3.505 -10.526 -2.565 1.00 0.00 C ATOM 489 CG LEU A 37 3.481 -10.171 -1.077 1.00 0.00 C ATOM 490 CD1 LEU A 37 2.967 -11.345 -0.257 1.00 0.00 C ATOM 491 CD2 LEU A 37 4.867 -9.755 -0.606 1.00 0.00 C ATOM 0 H LEU A 37 3.036 -11.598 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 37 1.362 -10.687 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.888 -11.541 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.213 -9.865 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 37 2.803 -9.330 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.957 -11.075 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.956 -11.597 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.620 -12.205 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.831 -9.506 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.566 -10.576 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.198 -8.884 -1.172 1.00 0.00 H new ATOM 503 N TRP A 38 1.296 -8.197 -2.984 1.00 0.00 N ATOM 504 CA TRP A 38 1.021 -6.812 -3.350 1.00 0.00 C ATOM 505 C TRP A 38 1.334 -5.871 -2.192 1.00 0.00 C ATOM 506 O TRP A 38 0.926 -6.112 -1.055 1.00 0.00 O ATOM 507 CB TRP A 38 -0.442 -6.656 -3.769 1.00 0.00 C ATOM 508 CG TRP A 38 -0.640 -6.686 -5.255 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.848 -7.790 -6.031 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.647 -5.562 -6.141 1.00 0.00 C ATOM 511 NE1 TRP A 38 -0.984 -7.420 -7.348 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.866 -6.059 -7.442 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.493 -4.185 -5.964 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.932 -5.225 -8.555 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.558 -3.359 -7.070 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.777 -3.881 -8.352 1.00 0.00 C ATOM 0 H TRP A 38 0.954 -8.465 -2.061 1.00 0.00 H new ATOM 0 HA TRP A 38 1.663 -6.549 -4.191 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.030 -7.454 -3.315 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.826 -5.714 -3.377 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.898 -8.805 -5.664 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.146 -8.056 -8.129 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.326 -3.773 -4.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.100 -5.625 -9.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.438 -2.293 -6.944 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.824 -3.209 -9.196 1.00 0.00 H new ATOM 527 N LEU A 39 2.061 -4.799 -2.488 1.00 0.00 N ATOM 528 CA LEU A 39 2.429 -3.820 -1.471 1.00 0.00 C ATOM 529 C LEU A 39 1.748 -2.480 -1.732 1.00 0.00 C ATOM 530 O LEU A 39 2.175 -1.713 -2.595 1.00 0.00 O ATOM 531 CB LEU A 39 3.947 -3.636 -1.437 1.00 0.00 C ATOM 532 CG LEU A 39 4.711 -4.531 -0.462 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.203 -4.487 -0.752 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.432 -4.114 0.975 1.00 0.00 C ATOM 0 H LEU A 39 2.407 -4.586 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 39 2.093 -4.194 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.336 -3.811 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.161 -2.597 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 39 4.367 -5.557 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.730 -5.131 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.387 -4.835 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.564 -3.464 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.984 -4.762 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.747 -3.081 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.365 -4.200 1.178 1.00 0.00 H new ATOM 546 N VAL A 40 0.687 -2.204 -0.980 1.00 0.00 N ATOM 547 CA VAL A 40 -0.051 -0.956 -1.128 1.00 0.00 C ATOM 548 C VAL A 40 0.284 0.017 -0.003 1.00 0.00 C ATOM 549 O VAL A 40 0.205 -0.330 1.174 1.00 0.00 O ATOM 550 CB VAL A 40 -1.572 -1.201 -1.145 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.322 0.107 -1.348 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.937 -2.208 -2.225 1.00 0.00 C ATOM 0 H VAL A 40 0.320 -2.828 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 40 0.250 -0.522 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.867 -1.614 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.395 -0.086 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.084 0.793 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.026 0.553 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.015 -2.369 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.629 -1.825 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.429 -3.152 -2.029 1.00 0.00 H new ATOM 562 N GLU A 41 0.656 1.238 -0.375 1.00 0.00 N ATOM 563 CA GLU A 41 1.003 2.261 0.604 1.00 0.00 C ATOM 564 C GLU A 41 0.097 3.481 0.460 1.00 0.00 C ATOM 565 O GLU A 41 0.135 4.181 -0.551 1.00 0.00 O ATOM 566 CB GLU A 41 2.466 2.678 0.442 1.00 0.00 C ATOM 567 CG GLU A 41 2.809 3.983 1.142 1.00 0.00 C ATOM 568 CD GLU A 41 4.250 4.032 1.612 1.00 0.00 C ATOM 569 OE1 GLU A 41 5.153 3.809 0.778 1.00 0.00 O ATOM 570 OE2 GLU A 41 4.475 4.294 2.812 1.00 0.00 O ATOM 0 H GLU A 41 0.725 1.542 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 41 0.861 1.839 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.106 1.887 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.692 2.775 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.624 4.815 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.147 4.117 1.998 1.00 0.00 H new ATOM 577 N PHE A 42 -0.719 3.728 1.480 1.00 0.00 N ATOM 578 CA PHE A 42 -1.636 4.861 1.468 1.00 0.00 C ATOM 579 C PHE A 42 -0.913 6.151 1.845 1.00 0.00 C ATOM 580 O PHE A 42 -0.645 6.404 3.020 1.00 0.00 O ATOM 581 CB PHE A 42 -2.798 4.614 2.433 1.00 0.00 C ATOM 582 CG PHE A 42 -3.552 3.346 2.151 1.00 0.00 C ATOM 583 CD1 PHE A 42 -3.060 2.123 2.574 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.754 3.379 1.461 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.752 0.954 2.316 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.451 2.214 1.201 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.948 1.000 1.628 1.00 0.00 C ATOM 0 H PHE A 42 -0.763 3.158 2.325 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.028 4.968 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.412 4.579 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.488 5.456 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.124 2.082 3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.150 4.325 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.357 0.007 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.388 2.253 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.490 0.088 1.424 1.00 0.00 H new ATOM 597 N TYR A 43 -0.599 6.961 0.841 1.00 0.00 N ATOM 598 CA TYR A 43 0.096 8.223 1.065 1.00 0.00 C ATOM 599 C TYR A 43 -0.856 9.405 0.906 1.00 0.00 C ATOM 600 O TYR A 43 -2.035 9.230 0.601 1.00 0.00 O ATOM 601 CB TYR A 43 1.268 8.364 0.093 1.00 0.00 C ATOM 602 CG TYR A 43 0.843 8.630 -1.334 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.417 9.892 -1.728 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.867 7.619 -2.287 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.027 10.140 -3.030 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.480 7.858 -3.591 1.00 0.00 C ATOM 607 CZ TYR A 43 0.061 9.120 -3.958 1.00 0.00 C ATOM 608 OH TYR A 43 -0.326 9.361 -5.256 1.00 0.00 O ATOM 0 H TYR A 43 -0.815 6.766 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 43 0.478 8.222 2.086 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.912 9.177 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.865 7.452 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.390 10.693 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.194 6.630 -2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.303 11.127 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.505 7.061 -4.320 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.241 8.538 -5.781 1.00 0.00 H new ATOM 618 N ALA A 44 -0.334 10.609 1.115 1.00 0.00 N ATOM 619 CA ALA A 44 -1.134 11.821 0.992 1.00 0.00 C ATOM 620 C ALA A 44 -0.374 12.907 0.240 1.00 0.00 C ATOM 621 O ALA A 44 0.712 13.328 0.638 1.00 0.00 O ATOM 622 CB ALA A 44 -1.549 12.321 2.368 1.00 0.00 C ATOM 0 H ALA A 44 0.640 10.771 1.370 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.030 11.579 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.146 13.227 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.139 11.555 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.660 12.540 2.959 1.00 0.00 H new ATOM 628 N PRO A 45 -0.956 13.373 -0.876 1.00 0.00 N ATOM 629 CA PRO A 45 -0.350 14.417 -1.708 1.00 0.00 C ATOM 630 C PRO A 45 -0.351 15.779 -1.021 1.00 0.00 C ATOM 631 O PRO A 45 0.025 16.786 -1.621 1.00 0.00 O ATOM 632 CB PRO A 45 -1.244 14.444 -2.950 1.00 0.00 C ATOM 633 CG PRO A 45 -2.560 13.926 -2.480 1.00 0.00 C ATOM 634 CD PRO A 45 -2.250 12.917 -1.410 1.00 0.00 C ATOM 0 HA PRO A 45 0.698 14.209 -1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.336 15.454 -3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.835 13.822 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.179 14.733 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.114 13.468 -3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.020 12.900 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.184 11.908 -1.816 1.00 0.00 H new ATOM 642 N TRP A 46 -0.773 15.801 0.238 1.00 0.00 N ATOM 643 CA TRP A 46 -0.821 17.040 1.005 1.00 0.00 C ATOM 644 C TRP A 46 0.087 16.959 2.227 1.00 0.00 C ATOM 645 O TRP A 46 0.477 17.982 2.791 1.00 0.00 O ATOM 646 CB TRP A 46 -2.257 17.339 1.441 1.00 0.00 C ATOM 647 CG TRP A 46 -2.875 16.235 2.245 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.864 15.383 1.843 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.547 15.866 3.589 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.171 14.507 2.856 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.376 14.782 3.937 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.633 16.345 4.530 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.317 14.172 5.187 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.575 15.738 5.771 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.412 14.661 6.090 1.00 0.00 C ATOM 0 H TRP A 46 -1.087 14.976 0.749 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.467 17.848 0.365 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.267 18.257 2.029 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.868 17.520 0.556 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.335 15.396 0.871 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.876 13.771 2.810 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.983 17.174 4.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.962 13.342 5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.872 16.100 6.507 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.342 14.208 7.068 1.00 0.00 H new ATOM 666 N CYS A 47 0.421 15.738 2.631 1.00 0.00 N ATOM 667 CA CYS A 47 1.284 15.525 3.787 1.00 0.00 C ATOM 668 C CYS A 47 2.740 15.819 3.441 1.00 0.00 C ATOM 669 O CYS A 47 3.048 16.258 2.334 1.00 0.00 O ATOM 670 CB CYS A 47 1.147 14.088 4.293 1.00 0.00 C ATOM 671 SG CYS A 47 1.330 13.915 6.084 1.00 0.00 S ATOM 0 H CYS A 47 0.107 14.881 2.175 1.00 0.00 H new ATOM 0 HA CYS A 47 0.972 16.211 4.574 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.171 13.702 3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.896 13.468 3.800 1.00 0.00 H new ATOM 0 HG CYS A 47 1.723 12.708 6.365 1.00 0.00 H new ATOM 677 N GLY A 48 3.631 15.575 4.397 1.00 0.00 N ATOM 678 CA GLY A 48 5.044 15.821 4.174 1.00 0.00 C ATOM 679 C GLY A 48 5.845 14.539 4.065 1.00 0.00 C ATOM 680 O GLY A 48 6.368 14.213 2.999 1.00 0.00 O ATOM 0 H GLY A 48 3.400 15.212 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.169 16.403 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.438 16.424 4.992 1.00 0.00 H new ATOM 684 N HIS A 49 5.945 13.809 5.172 1.00 0.00 N ATOM 685 CA HIS A 49 6.690 12.556 5.197 1.00 0.00 C ATOM 686 C HIS A 49 6.231 11.628 4.076 1.00 0.00 C ATOM 687 O HIS A 49 6.929 10.679 3.717 1.00 0.00 O ATOM 688 CB HIS A 49 6.520 11.863 6.550 1.00 0.00 C ATOM 689 CG HIS A 49 5.117 11.905 7.071 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.814 12.094 8.403 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.930 11.783 6.431 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.503 12.084 8.561 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.943 11.898 7.379 1.00 0.00 N ATOM 0 H HIS A 49 5.519 14.064 6.063 1.00 0.00 H new ATOM 0 HA HIS A 49 7.744 12.787 5.045 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.834 10.823 6.459 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.183 12.334 7.276 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.497 12.222 9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.786 11.625 5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.978 12.207 9.497 1.00 0.00 H new ATOM 702 N CYS A 50 5.054 11.909 3.528 1.00 0.00 N ATOM 703 CA CYS A 50 4.501 11.098 2.448 1.00 0.00 C ATOM 704 C CYS A 50 5.077 11.521 1.101 1.00 0.00 C ATOM 705 O CYS A 50 5.544 10.686 0.327 1.00 0.00 O ATOM 706 CB CYS A 50 2.976 11.217 2.424 1.00 0.00 C ATOM 707 SG CYS A 50 2.149 10.382 3.798 1.00 0.00 S ATOM 0 H CYS A 50 4.465 12.691 3.813 1.00 0.00 H new ATOM 0 HA CYS A 50 4.775 10.059 2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.704 12.273 2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.605 10.805 1.486 1.00 0.00 H new ATOM 0 HG CYS A 50 1.469 11.250 4.487 1.00 0.00 H new ATOM 713 N GLN A 51 5.040 12.821 0.828 1.00 0.00 N ATOM 714 CA GLN A 51 5.556 13.353 -0.427 1.00 0.00 C ATOM 715 C GLN A 51 7.034 13.016 -0.594 1.00 0.00 C ATOM 716 O GLN A 51 7.543 12.945 -1.713 1.00 0.00 O ATOM 717 CB GLN A 51 5.358 14.869 -0.483 1.00 0.00 C ATOM 718 CG GLN A 51 3.898 15.291 -0.480 1.00 0.00 C ATOM 719 CD GLN A 51 3.721 16.777 -0.238 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.687 17.540 -0.254 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.481 17.198 -0.014 1.00 0.00 N ATOM 0 H GLN A 51 4.658 13.525 1.459 1.00 0.00 H new ATOM 0 HA GLN A 51 5.001 12.891 -1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.861 15.325 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.838 15.257 -1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.445 15.026 -1.435 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.365 14.735 0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.709 16.531 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.301 18.188 0.153 1.00 0.00 H new ATOM 730 N ARG A 52 7.719 12.809 0.526 1.00 0.00 N ATOM 731 CA ARG A 52 9.139 12.480 0.504 1.00 0.00 C ATOM 732 C ARG A 52 9.347 10.970 0.428 1.00 0.00 C ATOM 733 O ARG A 52 10.480 10.492 0.353 1.00 0.00 O ATOM 734 CB ARG A 52 9.833 13.039 1.747 1.00 0.00 C ATOM 735 CG ARG A 52 9.851 12.074 2.921 1.00 0.00 C ATOM 736 CD ARG A 52 10.473 12.709 4.155 1.00 0.00 C ATOM 737 NE ARG A 52 10.369 11.843 5.327 1.00 0.00 N ATOM 738 CZ ARG A 52 10.462 12.284 6.577 1.00 0.00 C ATOM 739 NH1 ARG A 52 10.659 13.573 6.816 1.00 0.00 N ATOM 740 NH2 ARG A 52 10.358 11.434 7.591 1.00 0.00 N ATOM 0 H ARG A 52 7.313 12.863 1.460 1.00 0.00 H new ATOM 0 HA ARG A 52 9.577 12.935 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.858 13.306 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.331 13.958 2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.833 11.756 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.411 11.179 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.522 12.930 3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.980 13.659 4.361 1.00 0.00 H new ATOM 0 HE ARG A 52 10.217 10.846 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.740 14.229 6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.730 13.909 7.777 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.207 10.441 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.430 11.773 8.550 1.00 0.00 H new ATOM 754 N LEU A 53 8.247 10.225 0.448 1.00 0.00 N ATOM 755 CA LEU A 53 8.308 8.769 0.382 1.00 0.00 C ATOM 756 C LEU A 53 8.039 8.277 -1.036 1.00 0.00 C ATOM 757 O LEU A 53 7.940 7.074 -1.279 1.00 0.00 O ATOM 758 CB LEU A 53 7.296 8.153 1.350 1.00 0.00 C ATOM 759 CG LEU A 53 7.395 6.640 1.550 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.755 6.265 2.118 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.280 6.149 2.462 1.00 0.00 C ATOM 0 H LEU A 53 7.302 10.605 0.509 1.00 0.00 H new ATOM 0 HA LEU A 53 9.312 8.458 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.411 8.636 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.293 8.388 0.994 1.00 0.00 H new ATOM 0 HG LEU A 53 7.283 6.156 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.807 5.185 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.537 6.582 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.896 6.759 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.366 5.070 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.360 6.640 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.314 6.384 2.015 1.00 0.00 H new ATOM 773 N THR A 54 7.923 9.215 -1.971 1.00 0.00 N ATOM 774 CA THR A 54 7.666 8.877 -3.365 1.00 0.00 C ATOM 775 C THR A 54 8.839 8.116 -3.971 1.00 0.00 C ATOM 776 O THR A 54 8.678 7.048 -4.562 1.00 0.00 O ATOM 777 CB THR A 54 7.396 10.138 -4.208 1.00 0.00 C ATOM 778 OG1 THR A 54 6.920 11.196 -3.369 1.00 0.00 O ATOM 779 CG2 THR A 54 6.375 9.851 -5.299 1.00 0.00 C ATOM 0 H THR A 54 8.003 10.215 -1.788 1.00 0.00 H new ATOM 0 HA THR A 54 6.779 8.243 -3.379 1.00 0.00 H new ATOM 0 HB THR A 54 8.332 10.441 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.682 11.691 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.200 10.756 -5.881 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.753 9.066 -5.954 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.439 9.526 -4.845 1.00 0.00 H new ATOM 787 N PRO A 55 10.049 8.676 -3.823 1.00 0.00 N ATOM 788 CA PRO A 55 11.273 8.065 -4.348 1.00 0.00 C ATOM 789 C PRO A 55 11.659 6.797 -3.594 1.00 0.00 C ATOM 790 O PRO A 55 12.179 5.849 -4.181 1.00 0.00 O ATOM 791 CB PRO A 55 12.330 9.153 -4.141 1.00 0.00 C ATOM 792 CG PRO A 55 11.813 9.971 -3.008 1.00 0.00 C ATOM 793 CD PRO A 55 10.314 9.948 -3.130 1.00 0.00 C ATOM 0 HA PRO A 55 11.159 7.754 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.303 8.721 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.458 9.757 -5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.133 9.558 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.193 10.991 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.831 9.982 -2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.944 10.801 -3.699 1.00 0.00 H new ATOM 801 N GLU A 56 11.401 6.789 -2.290 1.00 0.00 N ATOM 802 CA GLU A 56 11.722 5.636 -1.456 1.00 0.00 C ATOM 803 C GLU A 56 10.814 4.455 -1.787 1.00 0.00 C ATOM 804 O GLU A 56 11.253 3.305 -1.799 1.00 0.00 O ATOM 805 CB GLU A 56 11.588 5.997 0.025 1.00 0.00 C ATOM 806 CG GLU A 56 12.585 7.047 0.488 1.00 0.00 C ATOM 807 CD GLU A 56 12.234 7.626 1.845 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.350 8.505 1.905 1.00 0.00 O ATOM 809 OE2 GLU A 56 12.844 7.198 2.848 1.00 0.00 O ATOM 0 H GLU A 56 10.971 7.566 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 56 12.753 5.348 -1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.577 6.360 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.718 5.095 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.580 6.604 0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.627 7.851 -0.246 1.00 0.00 H new ATOM 816 N TRP A 57 9.546 4.748 -2.053 1.00 0.00 N ATOM 817 CA TRP A 57 8.576 3.711 -2.384 1.00 0.00 C ATOM 818 C TRP A 57 8.790 3.197 -3.803 1.00 0.00 C ATOM 819 O TRP A 57 8.750 1.991 -4.050 1.00 0.00 O ATOM 820 CB TRP A 57 7.152 4.249 -2.233 1.00 0.00 C ATOM 821 CG TRP A 57 6.107 3.174 -2.232 1.00 0.00 C ATOM 822 CD1 TRP A 57 5.034 3.074 -3.070 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.037 2.049 -1.349 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.300 1.954 -2.761 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.895 1.308 -1.710 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.828 1.594 -0.290 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.526 0.139 -1.048 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.460 0.435 0.366 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.319 -0.283 -0.016 1.00 0.00 C ATOM 0 H TRP A 57 9.166 5.695 -2.046 1.00 0.00 H new ATOM 0 HA TRP A 57 8.719 2.881 -1.692 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.082 4.815 -1.304 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.946 4.945 -3.046 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.797 3.772 -3.859 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.450 1.653 -3.237 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.711 2.139 0.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.645 -0.414 -1.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.062 0.076 1.188 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.060 -1.187 0.515 1.00 0.00 H new ATOM 840 N LYS A 58 9.018 4.118 -4.733 1.00 0.00 N ATOM 841 CA LYS A 58 9.241 3.758 -6.128 1.00 0.00 C ATOM 842 C LYS A 58 10.402 2.778 -6.259 1.00 0.00 C ATOM 843 O LYS A 58 10.277 1.733 -6.898 1.00 0.00 O ATOM 844 CB LYS A 58 9.522 5.011 -6.961 1.00 0.00 C ATOM 845 CG LYS A 58 8.266 5.748 -7.393 1.00 0.00 C ATOM 846 CD LYS A 58 8.597 6.962 -8.245 1.00 0.00 C ATOM 847 CE LYS A 58 7.420 7.922 -8.328 1.00 0.00 C ATOM 848 NZ LYS A 58 7.599 8.926 -9.413 1.00 0.00 N ATOM 0 H LYS A 58 9.053 5.120 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 58 8.337 3.276 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.150 5.689 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.090 4.728 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.622 5.072 -7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.706 6.062 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.460 7.478 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.876 6.639 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.503 7.359 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.302 8.436 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.776 9.562 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.460 9.481 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.686 8.438 -10.327 1.00 0.00 H new ATOM 862 N LYS A 59 11.531 3.120 -5.648 1.00 0.00 N ATOM 863 CA LYS A 59 12.715 2.270 -5.693 1.00 0.00 C ATOM 864 C LYS A 59 12.343 0.808 -5.466 1.00 0.00 C ATOM 865 O LYS A 59 12.666 -0.058 -6.278 1.00 0.00 O ATOM 866 CB LYS A 59 13.731 2.718 -4.641 1.00 0.00 C ATOM 867 CG LYS A 59 14.638 3.842 -5.111 1.00 0.00 C ATOM 868 CD LYS A 59 15.770 4.093 -4.129 1.00 0.00 C ATOM 869 CE LYS A 59 15.342 5.031 -3.011 1.00 0.00 C ATOM 870 NZ LYS A 59 16.511 5.608 -2.292 1.00 0.00 N ATOM 0 H LYS A 59 11.651 3.981 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 59 13.162 2.364 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.197 3.043 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.344 1.864 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.052 3.593 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.054 4.754 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.100 3.145 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.623 4.520 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.737 5.837 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.712 4.490 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.177 6.241 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.075 4.841 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.099 6.146 -2.960 1.00 0.00 H new ATOM 884 N ALA A 60 11.661 0.541 -4.357 1.00 0.00 N ATOM 885 CA ALA A 60 11.242 -0.815 -4.025 1.00 0.00 C ATOM 886 C ALA A 60 10.344 -1.394 -5.112 1.00 0.00 C ATOM 887 O ALA A 60 10.368 -2.596 -5.376 1.00 0.00 O ATOM 888 CB ALA A 60 10.527 -0.833 -2.682 1.00 0.00 C ATOM 0 H ALA A 60 11.387 1.246 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 60 12.134 -1.438 -3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.220 -1.852 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.201 -0.469 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.648 -0.191 -2.729 1.00 0.00 H new ATOM 894 N ALA A 61 9.552 -0.531 -5.740 1.00 0.00 N ATOM 895 CA ALA A 61 8.646 -0.957 -6.800 1.00 0.00 C ATOM 896 C ALA A 61 9.420 -1.428 -8.027 1.00 0.00 C ATOM 897 O ALA A 61 9.037 -2.398 -8.681 1.00 0.00 O ATOM 898 CB ALA A 61 7.700 0.175 -7.173 1.00 0.00 C ATOM 0 H ALA A 61 9.519 0.467 -5.533 1.00 0.00 H new ATOM 0 HA ALA A 61 8.060 -1.797 -6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.029 -0.157 -7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.115 0.463 -6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.277 1.032 -7.522 1.00 0.00 H new ATOM 904 N THR A 62 10.511 -0.733 -8.335 1.00 0.00 N ATOM 905 CA THR A 62 11.338 -1.079 -9.484 1.00 0.00 C ATOM 906 C THR A 62 11.969 -2.456 -9.314 1.00 0.00 C ATOM 907 O THR A 62 12.071 -3.225 -10.269 1.00 0.00 O ATOM 908 CB THR A 62 12.453 -0.040 -9.707 1.00 0.00 C ATOM 909 OG1 THR A 62 11.880 1.253 -9.932 1.00 0.00 O ATOM 910 CG2 THR A 62 13.324 -0.427 -10.893 1.00 0.00 C ATOM 0 H THR A 62 10.842 0.073 -7.804 1.00 0.00 H new ATOM 0 HA THR A 62 10.681 -1.089 -10.354 1.00 0.00 H new ATOM 0 HB THR A 62 13.076 -0.011 -8.813 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.595 1.908 -10.071 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.104 0.322 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.782 -1.398 -10.706 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.711 -0.482 -11.792 1.00 0.00 H new ATOM 918 N ALA A 63 12.391 -2.761 -8.091 1.00 0.00 N ATOM 919 CA ALA A 63 13.010 -4.047 -7.794 1.00 0.00 C ATOM 920 C ALA A 63 11.958 -5.141 -7.645 1.00 0.00 C ATOM 921 O ALA A 63 12.082 -6.220 -8.227 1.00 0.00 O ATOM 922 CB ALA A 63 13.854 -3.948 -6.532 1.00 0.00 C ATOM 0 H ALA A 63 12.315 -2.135 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 63 13.657 -4.313 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.310 -4.916 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.636 -3.202 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.222 -3.656 -5.694 1.00 0.00 H new ATOM 928 N LEU A 64 10.923 -4.857 -6.863 1.00 0.00 N ATOM 929 CA LEU A 64 9.848 -5.818 -6.637 1.00 0.00 C ATOM 930 C LEU A 64 8.807 -5.742 -7.749 1.00 0.00 C ATOM 931 O LEU A 64 7.753 -6.374 -7.671 1.00 0.00 O ATOM 932 CB LEU A 64 9.185 -5.561 -5.282 1.00 0.00 C ATOM 933 CG LEU A 64 10.127 -5.226 -4.126 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.382 -4.481 -3.029 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.766 -6.492 -3.574 1.00 0.00 C ATOM 0 H LEU A 64 10.805 -3.969 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 64 10.281 -6.818 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.477 -4.740 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.608 -6.444 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 64 10.918 -4.579 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.069 -4.251 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.973 -3.554 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.569 -5.103 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.433 -6.234 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.988 -7.164 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.335 -6.986 -4.362 1.00 0.00 H new ATOM 947 N LYS A 65 9.110 -4.967 -8.784 1.00 0.00 N ATOM 948 CA LYS A 65 8.203 -4.810 -9.915 1.00 0.00 C ATOM 949 C LYS A 65 7.741 -6.168 -10.434 1.00 0.00 C ATOM 950 O LYS A 65 6.553 -6.379 -10.677 1.00 0.00 O ATOM 951 CB LYS A 65 8.886 -4.028 -11.039 1.00 0.00 C ATOM 952 CG LYS A 65 8.300 -4.301 -12.413 1.00 0.00 C ATOM 953 CD LYS A 65 9.133 -3.662 -13.512 1.00 0.00 C ATOM 954 CE LYS A 65 10.241 -4.592 -13.983 1.00 0.00 C ATOM 955 NZ LYS A 65 10.587 -4.362 -15.413 1.00 0.00 N ATOM 0 H LYS A 65 9.978 -4.437 -8.863 1.00 0.00 H new ATOM 0 HA LYS A 65 7.330 -4.254 -9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.810 -2.962 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.947 -4.276 -11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.243 -5.377 -12.578 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.281 -3.917 -12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.490 -3.404 -14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.568 -2.732 -13.146 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.127 -4.443 -13.366 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.929 -5.627 -13.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.346 -5.015 -15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.748 -4.529 -16.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.909 -3.381 -15.539 1.00 0.00 H new ATOM 969 N ASP A 66 8.687 -7.086 -10.600 1.00 0.00 N ATOM 970 CA ASP A 66 8.377 -8.425 -11.088 1.00 0.00 C ATOM 971 C ASP A 66 8.169 -9.391 -9.926 1.00 0.00 C ATOM 972 O ASP A 66 7.537 -10.436 -10.080 1.00 0.00 O ATOM 973 CB ASP A 66 9.498 -8.933 -11.995 1.00 0.00 C ATOM 974 CG ASP A 66 9.397 -8.383 -13.404 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.282 -8.395 -13.966 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.432 -7.941 -13.945 1.00 0.00 O ATOM 0 H ASP A 66 9.675 -6.927 -10.404 1.00 0.00 H new ATOM 0 HA ASP A 66 7.452 -8.371 -11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.461 -8.655 -11.568 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.468 -10.022 -12.030 1.00 0.00 H new ATOM 981 N VAL A 67 8.706 -9.036 -8.763 1.00 0.00 N ATOM 982 CA VAL A 67 8.579 -9.871 -7.575 1.00 0.00 C ATOM 983 C VAL A 67 7.274 -9.587 -6.840 1.00 0.00 C ATOM 984 O VAL A 67 6.369 -10.421 -6.814 1.00 0.00 O ATOM 985 CB VAL A 67 9.758 -9.654 -6.608 1.00 0.00 C ATOM 986 CG1 VAL A 67 9.905 -10.843 -5.670 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.044 -9.413 -7.382 1.00 0.00 C ATOM 0 H VAL A 67 9.233 -8.175 -8.618 1.00 0.00 H new ATOM 0 HA VAL A 67 8.583 -10.907 -7.914 1.00 0.00 H new ATOM 0 HB VAL A 67 9.553 -8.769 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.743 -10.672 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.990 -10.964 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.088 -11.746 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.866 -9.262 -6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.257 -10.277 -8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.932 -8.527 -8.007 1.00 0.00 H new ATOM 997 N VAL A 68 7.183 -8.403 -6.243 1.00 0.00 N ATOM 998 CA VAL A 68 5.987 -8.007 -5.508 1.00 0.00 C ATOM 999 C VAL A 68 5.356 -6.759 -6.117 1.00 0.00 C ATOM 1000 O VAL A 68 5.988 -5.705 -6.195 1.00 0.00 O ATOM 1001 CB VAL A 68 6.304 -7.737 -4.025 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.038 -7.367 -3.268 1.00 0.00 C ATOM 1003 CG2 VAL A 68 6.976 -8.948 -3.396 1.00 0.00 C ATOM 0 H VAL A 68 7.923 -7.701 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 68 5.284 -8.837 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 68 6.994 -6.895 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.281 -7.180 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.602 -6.469 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.322 -8.187 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.193 -8.740 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.312 -9.809 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.905 -9.163 -3.923 1.00 0.00 H new ATOM 1013 N LYS A 69 4.105 -6.885 -6.546 1.00 0.00 N ATOM 1014 CA LYS A 69 3.386 -5.768 -7.147 1.00 0.00 C ATOM 1015 C LYS A 69 3.235 -4.621 -6.153 1.00 0.00 C ATOM 1016 O LYS A 69 2.348 -4.638 -5.300 1.00 0.00 O ATOM 1017 CB LYS A 69 2.007 -6.224 -7.629 1.00 0.00 C ATOM 1018 CG LYS A 69 2.053 -7.075 -8.886 1.00 0.00 C ATOM 1019 CD LYS A 69 1.949 -6.223 -10.141 1.00 0.00 C ATOM 1020 CE LYS A 69 2.261 -7.032 -11.391 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.331 -8.184 -11.552 1.00 0.00 N ATOM 0 H LYS A 69 3.568 -7.750 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 69 3.964 -5.412 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.523 -6.791 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.389 -5.346 -7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.983 -7.644 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.237 -7.798 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.945 -5.806 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.638 -5.382 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.195 -6.387 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.287 -7.397 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.487 -8.629 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.507 -8.880 -10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.349 -7.848 -11.490 1.00 0.00 H new ATOM 1035 N VAL A 70 4.106 -3.624 -6.270 1.00 0.00 N ATOM 1036 CA VAL A 70 4.068 -2.467 -5.384 1.00 0.00 C ATOM 1037 C VAL A 70 3.244 -1.337 -5.990 1.00 0.00 C ATOM 1038 O VAL A 70 3.693 -0.647 -6.904 1.00 0.00 O ATOM 1039 CB VAL A 70 5.486 -1.947 -5.079 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.422 -0.717 -4.186 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.327 -3.039 -4.437 1.00 0.00 C ATOM 0 H VAL A 70 4.847 -3.594 -6.970 1.00 0.00 H new ATOM 0 HA VAL A 70 3.601 -2.795 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 70 5.960 -1.661 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.432 -0.363 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.858 0.069 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.930 -0.974 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.325 -2.654 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.859 -3.358 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.400 -3.888 -5.116 1.00 0.00 H new ATOM 1051 N GLY A 71 2.032 -1.154 -5.474 1.00 0.00 N ATOM 1052 CA GLY A 71 1.163 -0.106 -5.976 1.00 0.00 C ATOM 1053 C GLY A 71 1.220 1.151 -5.130 1.00 0.00 C ATOM 1054 O GLY A 71 2.207 1.396 -4.437 1.00 0.00 O ATOM 0 H GLY A 71 1.637 -1.713 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.446 0.136 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.137 -0.473 -6.007 1.00 0.00 H new ATOM 1058 N ALA A 72 0.160 1.950 -5.187 1.00 0.00 N ATOM 1059 CA ALA A 72 0.093 3.187 -4.419 1.00 0.00 C ATOM 1060 C ALA A 72 -1.304 3.795 -4.478 1.00 0.00 C ATOM 1061 O ALA A 72 -1.787 4.164 -5.548 1.00 0.00 O ATOM 1062 CB ALA A 72 1.126 4.181 -4.930 1.00 0.00 C ATOM 0 H ALA A 72 -0.665 1.763 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 72 0.314 2.952 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.065 5.100 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.123 3.753 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.930 4.402 -5.979 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.949 3.896 -3.320 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.291 4.460 -3.240 1.00 0.00 C ATOM 1070 C VAL A 73 -3.284 5.794 -2.501 1.00 0.00 C ATOM 1071 O VAL A 73 -2.839 5.879 -1.357 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.263 3.499 -2.530 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.438 4.264 -1.941 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.745 2.424 -3.493 1.00 0.00 C ATOM 0 H VAL A 73 -1.564 3.595 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.629 4.616 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.732 3.012 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.113 3.568 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.072 4.993 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.972 4.781 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.431 1.753 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.259 2.892 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.891 1.856 -3.861 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.780 6.834 -3.163 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.831 8.165 -2.569 1.00 0.00 C ATOM 1086 C ASN A 74 -4.858 8.219 -1.443 1.00 0.00 C ATOM 1087 O ASN A 74 -6.010 8.596 -1.657 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.170 9.209 -3.635 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.497 10.563 -3.034 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.542 10.718 -1.814 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.728 11.550 -3.892 1.00 0.00 N ATOM 0 H ASN A 74 -4.152 6.781 -4.111 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.849 8.388 -2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.328 9.312 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.019 8.861 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.954 12.483 -3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.680 11.375 -4.896 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.433 7.840 -0.242 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.315 7.848 0.918 1.00 0.00 C ATOM 1100 C ALA A 75 -6.197 9.092 0.929 1.00 0.00 C ATOM 1101 O ALA A 75 -7.393 9.013 1.209 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.500 7.766 2.201 1.00 0.00 C ATOM 0 H ALA A 75 -3.483 7.524 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.964 6.975 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.171 7.773 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.917 6.845 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.827 8.621 2.260 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.600 10.238 0.622 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.332 11.499 0.596 1.00 0.00 C ATOM 1110 C ASP A 76 -7.467 11.447 -0.423 1.00 0.00 C ATOM 1111 O ASP A 76 -8.564 11.948 -0.173 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.387 12.655 0.266 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.092 13.998 0.268 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.799 14.294 1.254 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -5.938 14.751 -0.716 1.00 0.00 O ATOM 0 H ASP A 76 -4.611 10.320 0.388 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.762 11.662 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.574 12.674 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.938 12.485 -0.712 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.196 10.838 -1.572 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.193 10.720 -2.630 1.00 0.00 C ATOM 1122 C LYS A 77 -9.075 9.495 -2.411 1.00 0.00 C ATOM 1123 O LYS A 77 -10.292 9.611 -2.262 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.510 10.633 -3.996 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.432 10.165 -5.109 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.647 9.700 -6.324 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.150 10.876 -7.150 1.00 0.00 C ATOM 1128 NZ LYS A 77 -5.785 11.306 -6.738 1.00 0.00 N ATOM 0 H LYS A 77 -6.294 10.418 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.823 11.609 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.109 11.613 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.663 9.951 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.058 9.350 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.100 10.977 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.799 9.096 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.277 9.060 -6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.141 10.601 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.841 11.712 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.232 11.562 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.856 12.130 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.312 10.527 -6.237 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.453 8.320 -2.392 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.182 7.073 -2.190 1.00 0.00 C ATOM 1144 C HIS A 78 -9.436 6.827 -0.706 1.00 0.00 C ATOM 1145 O HIS A 78 -9.381 5.690 -0.238 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.403 5.900 -2.787 1.00 0.00 C ATOM 1147 CG HIS A 78 -8.038 6.094 -4.226 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.878 5.861 -4.885 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.918 6.587 -5.167 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -7.077 6.212 -6.197 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.316 6.646 -6.341 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.447 8.206 -2.514 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.144 7.157 -2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.493 5.746 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.999 4.992 -2.691 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.940 6.879 -4.974 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.340 6.144 -6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.737 6.972 -7.211 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.715 7.900 0.027 1.00 0.00 N ATOM 1161 CA GLN A 79 -9.976 7.799 1.458 1.00 0.00 C ATOM 1162 C GLN A 79 -10.787 6.548 1.777 1.00 0.00 C ATOM 1163 O GLN A 79 -10.580 5.908 2.808 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.719 9.042 1.951 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.813 10.240 2.186 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.588 11.525 2.404 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.808 11.507 2.563 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -9.880 12.648 2.413 1.00 0.00 N ATOM 0 H GLN A 79 -9.766 8.848 -0.346 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.017 7.729 1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.482 9.312 1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.237 8.801 2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.182 10.049 3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.149 10.362 1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.870 12.615 2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.346 13.544 2.556 1.00 0.00 H new ATOM 1177 N SER A 80 -11.711 6.205 0.886 1.00 0.00 N ATOM 1178 CA SER A 80 -12.557 5.032 1.074 1.00 0.00 C ATOM 1179 C SER A 80 -11.711 3.771 1.231 1.00 0.00 C ATOM 1180 O SER A 80 -11.882 3.009 2.182 1.00 0.00 O ATOM 1181 CB SER A 80 -13.516 4.873 -0.107 1.00 0.00 C ATOM 1182 OG SER A 80 -14.641 5.723 0.032 1.00 0.00 O ATOM 0 H SER A 80 -11.893 6.723 0.026 1.00 0.00 H new ATOM 0 HA SER A 80 -13.137 5.176 1.986 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.995 5.103 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.846 3.836 -0.175 1.00 0.00 H new ATOM 0 HG SER A 80 -15.238 5.604 -0.736 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.798 3.560 0.290 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.923 2.392 0.321 1.00 0.00 C ATOM 1190 C LEU A 81 -9.168 2.313 1.644 1.00 0.00 C ATOM 1191 O LEU A 81 -9.331 1.362 2.407 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.932 2.441 -0.843 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.526 2.247 -2.239 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.445 2.372 -3.301 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.221 0.897 -2.339 1.00 0.00 C ATOM 0 H LEU A 81 -10.644 4.182 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.543 1.501 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.420 3.403 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.175 1.673 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.266 3.028 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.886 2.231 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.992 3.362 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.681 1.613 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.638 0.776 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.501 0.102 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.023 0.845 -1.603 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.342 3.321 1.909 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.576 3.346 3.142 1.00 0.00 C ATOM 1209 C GLY A 82 -8.433 3.079 4.363 1.00 0.00 C ATOM 1210 O GLY A 82 -8.215 2.104 5.081 1.00 0.00 O ATOM 0 H GLY A 82 -8.190 4.120 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.783 2.600 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.093 4.318 3.246 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.410 3.948 4.601 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.287 3.784 5.746 1.00 0.00 C ATOM 1216 C GLY A 83 -11.013 2.454 5.734 1.00 0.00 C ATOM 1217 O GLY A 83 -11.391 1.937 6.785 1.00 0.00 O ATOM 0 H GLY A 83 -9.610 4.763 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.703 3.867 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.017 4.593 5.759 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.211 1.900 4.542 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.899 0.623 4.399 1.00 0.00 C ATOM 1223 C GLN A 84 -11.056 -0.517 4.960 1.00 0.00 C ATOM 1224 O GLN A 84 -11.528 -1.647 5.090 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.223 0.356 2.928 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.845 -1.008 2.679 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.281 -1.198 1.240 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.475 -1.234 0.940 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.313 -1.319 0.339 1.00 0.00 N ATOM 0 H GLN A 84 -10.905 2.315 3.662 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.829 0.676 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.904 1.127 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.308 0.441 2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.126 -1.784 2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.706 -1.135 3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.337 -1.283 0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.546 -1.448 -0.646 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.806 -0.213 5.292 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.895 -1.212 5.837 1.00 0.00 C ATOM 1240 C TYR A 85 -8.532 -0.888 7.283 1.00 0.00 C ATOM 1241 O TYR A 85 -8.383 -1.783 8.114 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.626 -1.294 4.988 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.789 -2.121 3.733 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.641 -1.713 2.714 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -7.093 -3.312 3.566 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.795 -2.466 1.566 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.239 -4.070 2.421 1.00 0.00 C ATOM 1248 CZ TYR A 85 -8.091 -3.643 1.424 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.240 -4.397 0.282 1.00 0.00 O ATOM 0 H TYR A 85 -9.401 0.718 5.193 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.401 -2.177 5.816 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.319 -0.286 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.823 -1.718 5.591 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.193 -0.791 2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.426 -3.651 4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.463 -2.135 0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.689 -4.992 2.307 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.004 -3.856 -0.500 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.393 0.402 7.577 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.050 0.824 8.922 1.00 0.00 C ATOM 1261 C GLY A 86 -6.963 1.880 8.939 1.00 0.00 C ATOM 1262 O GLY A 86 -6.251 2.033 9.931 1.00 0.00 O ATOM 0 H GLY A 86 -8.512 1.162 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.940 1.215 9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.721 -0.041 9.498 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.834 2.612 7.837 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.826 3.659 7.728 1.00 0.00 C ATOM 1268 C VAL A 87 -6.265 4.923 8.460 1.00 0.00 C ATOM 1269 O VAL A 87 -7.298 5.509 8.139 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.534 4.007 6.256 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.560 5.172 6.165 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -4.993 2.791 5.519 1.00 0.00 C ATOM 0 H VAL A 87 -7.416 2.499 7.007 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.917 3.272 8.189 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.467 4.307 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.366 5.403 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.990 6.045 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.625 4.904 6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.792 3.055 4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.070 2.459 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.729 1.987 5.554 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.473 5.336 9.443 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.781 6.530 10.221 1.00 0.00 C ATOM 1284 C GLN A 88 -4.743 7.621 9.977 1.00 0.00 C ATOM 1285 O GLN A 88 -5.069 8.807 9.949 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.842 6.192 11.712 1.00 0.00 C ATOM 1287 CG GLN A 88 -4.708 5.294 12.179 1.00 0.00 C ATOM 1288 CD GLN A 88 -4.964 3.830 11.884 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -4.294 3.228 11.044 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -5.937 3.247 12.575 1.00 0.00 N ATOM 0 H GLN A 88 -4.613 4.862 9.720 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.754 6.901 9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.822 7.118 12.287 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.793 5.704 11.927 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.782 5.602 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.564 5.425 13.252 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.467 3.784 13.262 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.154 2.263 12.419 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.491 7.211 9.801 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.424 8.166 9.562 1.00 0.00 C ATOM 1301 C GLY A 89 -1.422 7.671 8.538 1.00 0.00 C ATOM 1302 O GLY A 89 -0.996 6.517 8.583 1.00 0.00 O ATOM 0 H GLY A 89 -3.196 6.235 9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.853 9.108 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.909 8.373 10.500 1.00 0.00 H new ATOM 1306 N PHE A 90 -1.045 8.545 7.611 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.088 8.190 6.570 1.00 0.00 C ATOM 1308 C PHE A 90 1.301 8.731 6.900 1.00 0.00 C ATOM 1309 O PHE A 90 1.464 9.639 7.715 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.550 8.733 5.216 1.00 0.00 C ATOM 1311 CG PHE A 90 -2.024 9.015 5.155 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.946 8.005 5.379 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.488 10.290 4.874 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.303 8.262 5.323 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.844 10.553 4.817 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.752 9.538 5.043 1.00 0.00 C ATOM 0 H PHE A 90 -1.388 9.504 7.559 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.033 7.103 6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.003 9.650 4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.293 8.014 4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.600 7.006 5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.782 11.088 4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.012 7.466 5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.192 11.551 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.812 9.741 5.001 1.00 0.00 H new ATOM 1326 N PRO A 91 2.327 8.159 6.252 1.00 0.00 N ATOM 1327 CA PRO A 91 2.145 7.077 5.280 1.00 0.00 C ATOM 1328 C PRO A 91 1.707 5.774 5.939 1.00 0.00 C ATOM 1329 O PRO A 91 2.103 5.471 7.065 1.00 0.00 O ATOM 1330 CB PRO A 91 3.535 6.922 4.658 1.00 0.00 C ATOM 1331 CG PRO A 91 4.474 7.426 5.699 1.00 0.00 C ATOM 1332 CD PRO A 91 3.743 8.525 6.419 1.00 0.00 C ATOM 0 HA PRO A 91 1.363 7.306 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.743 5.882 4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.622 7.496 3.735 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.757 6.630 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.393 7.799 5.248 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.024 8.573 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.959 9.502 5.987 1.00 0.00 H new ATOM 1340 N THR A 92 0.889 5.003 5.229 1.00 0.00 N ATOM 1341 CA THR A 92 0.397 3.732 5.746 1.00 0.00 C ATOM 1342 C THR A 92 0.644 2.602 4.752 1.00 0.00 C ATOM 1343 O THR A 92 -0.093 2.448 3.778 1.00 0.00 O ATOM 1344 CB THR A 92 -1.109 3.800 6.064 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.315 4.455 7.321 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.716 2.406 6.107 1.00 0.00 C ATOM 0 H THR A 92 0.553 5.237 4.295 1.00 0.00 H new ATOM 0 HA THR A 92 0.946 3.531 6.666 1.00 0.00 H new ATOM 0 HB THR A 92 -1.600 4.368 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.044 5.394 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.780 2.479 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.583 1.921 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.221 1.817 6.879 1.00 0.00 H new ATOM 1354 N ILE A 93 1.684 1.815 5.006 1.00 0.00 N ATOM 1355 CA ILE A 93 2.026 0.698 4.134 1.00 0.00 C ATOM 1356 C ILE A 93 1.342 -0.586 4.591 1.00 0.00 C ATOM 1357 O ILE A 93 1.300 -0.890 5.783 1.00 0.00 O ATOM 1358 CB ILE A 93 3.548 0.467 4.086 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.262 1.727 3.594 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.876 -0.718 3.191 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.724 1.782 3.978 1.00 0.00 C ATOM 0 H ILE A 93 2.304 1.930 5.808 1.00 0.00 H new ATOM 0 HA ILE A 93 1.675 0.958 3.136 1.00 0.00 H new ATOM 0 HB ILE A 93 3.898 0.244 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.177 1.782 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.755 2.603 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.955 -0.868 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.393 -1.614 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.515 -0.522 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.166 2.702 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.816 1.758 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.245 0.925 3.551 1.00 0.00 H new ATOM 1373 N LYS A 94 0.807 -1.338 3.635 1.00 0.00 N ATOM 1374 CA LYS A 94 0.127 -2.592 3.937 1.00 0.00 C ATOM 1375 C LYS A 94 0.595 -3.703 3.003 1.00 0.00 C ATOM 1376 O LYS A 94 0.757 -3.489 1.801 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.388 -2.415 3.818 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.011 -1.695 5.001 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.322 -2.655 6.137 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.244 -2.020 7.167 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.370 -2.859 8.391 1.00 0.00 N ATOM 0 H LYS A 94 0.831 -1.100 2.643 1.00 0.00 H new ATOM 0 HA LYS A 94 0.374 -2.874 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.610 -1.859 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.853 -3.395 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.332 -0.919 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.927 -1.197 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.788 -3.556 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.394 -2.963 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.862 -1.036 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.230 -1.869 6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.006 -2.392 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.759 -3.789 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.433 -2.983 8.825 1.00 0.00 H new ATOM 1395 N ILE A 95 0.809 -4.889 3.562 1.00 0.00 N ATOM 1396 CA ILE A 95 1.255 -6.034 2.778 1.00 0.00 C ATOM 1397 C ILE A 95 0.090 -6.957 2.441 1.00 0.00 C ATOM 1398 O ILE A 95 -0.738 -7.268 3.297 1.00 0.00 O ATOM 1399 CB ILE A 95 2.335 -6.840 3.523 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.552 -5.959 3.812 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.740 -8.061 2.711 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.274 -6.326 5.090 1.00 0.00 C ATOM 0 H ILE A 95 0.681 -5.082 4.555 1.00 0.00 H new ATOM 0 HA ILE A 95 1.680 -5.638 1.856 1.00 0.00 H new ATOM 0 HB ILE A 95 1.922 -7.180 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.249 -6.031 2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.232 -4.919 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.504 -8.620 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.869 -8.697 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.137 -7.742 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.126 -5.660 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.592 -6.227 5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.625 -7.356 5.027 1.00 0.00 H new ATOM 1414 N PHE A 96 0.032 -7.394 1.187 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.032 -8.283 0.735 1.00 0.00 C ATOM 1416 C PHE A 96 -0.465 -9.630 0.297 1.00 0.00 C ATOM 1417 O PHE A 96 0.409 -9.697 -0.566 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.806 -7.643 -0.418 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.778 -6.587 0.025 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.333 -5.331 0.404 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.138 -6.851 0.063 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.225 -4.358 0.812 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.035 -5.882 0.470 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.578 -4.634 0.846 1.00 0.00 C ATOM 0 H PHE A 96 0.710 -7.147 0.466 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.712 -8.449 1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.098 -7.202 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.347 -8.420 -0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.276 -5.110 0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.501 -7.825 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.865 -3.383 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.092 -6.100 0.494 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.277 -3.876 1.166 1.00 0.00 H new ATOM 1434 N GLY A 97 -0.971 -10.703 0.898 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.504 -12.034 0.558 1.00 0.00 C ATOM 1436 C GLY A 97 -1.426 -13.122 1.071 1.00 0.00 C ATOM 1437 O GLY A 97 -2.381 -13.504 0.396 1.00 0.00 O ATOM 0 H GLY A 97 -1.696 -10.674 1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.415 -12.119 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.493 -12.182 0.972 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.140 -13.622 2.269 1.00 0.00 N ATOM 1442 CA ALA A 98 -1.951 -14.672 2.872 1.00 0.00 C ATOM 1443 C ALA A 98 -3.430 -14.469 2.561 1.00 0.00 C ATOM 1444 O ALA A 98 -4.025 -15.232 1.801 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.727 -14.714 4.376 1.00 0.00 C ATOM 0 H ALA A 98 -0.353 -13.316 2.841 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.644 -15.626 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.339 -15.503 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.676 -14.914 4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.006 -13.755 4.812 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.019 -13.436 3.155 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.430 -13.134 2.943 1.00 0.00 C ATOM 1453 C ASN A 99 -5.601 -11.770 2.281 1.00 0.00 C ATOM 1454 O ASN A 99 -5.498 -10.733 2.936 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.186 -13.167 4.272 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.686 -13.044 4.088 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.370 -12.554 5.115 1.00 0.00 O flip ATOM 1458 ND2 ASN A 99 -8.223 -13.385 3.034 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.541 -12.794 3.787 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.843 -13.894 2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.962 -14.099 4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.833 -12.355 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.658 -13.757 2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.233 -13.296 2.924 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.862 -11.779 0.978 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.050 -10.544 0.226 1.00 0.00 C ATOM 1467 C LYS A 100 -7.158 -9.695 0.842 1.00 0.00 C ATOM 1468 O LYS A 100 -7.189 -8.478 0.668 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.384 -10.858 -1.234 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.163 -11.150 -2.088 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.190 -9.982 -2.089 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.150 -10.124 -3.189 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.152 -11.185 -2.877 1.00 0.00 N ATOM 0 H LYS A 100 -5.948 -12.629 0.421 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.119 -9.978 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.054 -11.717 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.924 -10.015 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.661 -12.042 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.476 -11.365 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.739 -9.050 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.692 -9.921 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.647 -10.359 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.637 -9.173 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.555 -11.356 -3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.556 -10.878 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.647 -12.063 -2.620 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.065 -10.347 1.562 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.174 -9.651 2.204 1.00 0.00 C ATOM 1489 C ASN A 101 -8.703 -8.911 3.452 1.00 0.00 C ATOM 1490 O ASN A 101 -9.262 -7.878 3.824 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.280 -10.642 2.573 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.132 -11.027 1.379 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -10.916 -12.231 0.862 1.00 0.00 O flip ATOM 1494 ND2 ASN A 101 -11.975 -10.252 0.927 1.00 0.00 N flip ATOM 0 H ASN A 101 -8.054 -11.355 1.715 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.569 -8.921 1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.833 -11.539 3.001 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.915 -10.204 3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.108 -9.336 1.356 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.541 -10.526 0.124 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.671 -9.445 4.096 1.00 0.00 N ATOM 1502 CA LYS A 102 -7.121 -8.835 5.301 1.00 0.00 C ATOM 1503 C LYS A 102 -5.597 -8.800 5.246 1.00 0.00 C ATOM 1504 O LYS A 102 -4.918 -9.773 5.573 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.580 -9.605 6.541 1.00 0.00 C ATOM 1506 CG LYS A 102 -9.070 -9.902 6.557 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.508 -10.487 7.889 1.00 0.00 C ATOM 1508 CE LYS A 102 -9.416 -12.005 7.887 1.00 0.00 C ATOM 1509 NZ LYS A 102 -10.308 -12.616 8.912 1.00 0.00 N ATOM 0 H LYS A 102 -7.198 -10.300 3.803 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.488 -7.810 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.030 -10.544 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.323 -9.030 7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.627 -8.986 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.311 -10.600 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.884 -10.085 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.533 -10.184 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.683 -12.384 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.386 -12.307 8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.217 -13.651 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.037 -12.274 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.294 -12.349 8.717 1.00 0.00 H new ATOM 1523 N PRO A 103 -5.046 -7.652 4.826 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.596 -7.461 4.721 1.00 0.00 C ATOM 1525 C PRO A 103 -2.919 -7.400 6.086 1.00 0.00 C ATOM 1526 O PRO A 103 -3.583 -7.462 7.121 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.466 -6.118 3.999 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.730 -5.395 4.314 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.795 -6.450 4.421 1.00 0.00 C ATOM 0 HA PRO A 103 -3.113 -8.288 4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.595 -5.563 4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.346 -6.256 2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.638 -4.837 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.972 -4.674 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.553 -6.182 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.310 -6.598 3.472 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.595 -7.279 6.080 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.830 -7.210 7.320 1.00 0.00 C ATOM 1539 C GLU A 104 -0.143 -5.855 7.460 1.00 0.00 C ATOM 1540 O GLU A 104 0.136 -5.182 6.468 1.00 0.00 O ATOM 1541 CB GLU A 104 0.213 -8.329 7.364 1.00 0.00 C ATOM 1542 CG GLU A 104 0.483 -8.963 6.010 1.00 0.00 C ATOM 1543 CD GLU A 104 -0.531 -10.032 5.653 1.00 0.00 C ATOM 1544 OE1 GLU A 104 -1.131 -10.614 6.581 1.00 0.00 O ATOM 1545 OE2 GLU A 104 -0.726 -10.286 4.446 1.00 0.00 O ATOM 0 H GLU A 104 -1.031 -7.227 5.232 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.523 -7.335 8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.146 -7.929 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.123 -9.101 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.475 -8.189 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.481 -9.400 6.011 1.00 0.00 H new ATOM 1552 N ASP A 105 0.125 -5.460 8.700 1.00 0.00 N ATOM 1553 CA ASP A 105 0.779 -4.185 8.972 1.00 0.00 C ATOM 1554 C ASP A 105 2.250 -4.233 8.572 1.00 0.00 C ATOM 1555 O ASP A 105 2.977 -5.153 8.948 1.00 0.00 O ATOM 1556 CB ASP A 105 0.652 -3.829 10.454 1.00 0.00 C ATOM 1557 CG ASP A 105 0.620 -2.331 10.688 1.00 0.00 C ATOM 1558 OD1 ASP A 105 1.272 -1.595 9.918 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -0.059 -1.895 11.642 1.00 0.00 O ATOM 0 H ASP A 105 -0.101 -6.004 9.533 1.00 0.00 H new ATOM 0 HA ASP A 105 0.284 -3.417 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.257 -4.276 10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.489 -4.262 11.002 1.00 0.00 H new ATOM 1564 N TYR A 106 2.682 -3.237 7.806 1.00 0.00 N ATOM 1565 CA TYR A 106 4.066 -3.168 7.351 1.00 0.00 C ATOM 1566 C TYR A 106 4.955 -2.521 8.409 1.00 0.00 C ATOM 1567 O TYR A 106 4.909 -1.309 8.616 1.00 0.00 O ATOM 1568 CB TYR A 106 4.156 -2.380 6.043 1.00 0.00 C ATOM 1569 CG TYR A 106 5.569 -2.217 5.531 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.414 -1.251 6.063 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.059 -3.027 4.514 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.706 -1.097 5.598 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.349 -2.882 4.044 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.169 -1.915 4.588 1.00 0.00 C ATOM 1575 OH TYR A 106 9.455 -1.766 4.122 1.00 0.00 O ATOM 0 H TYR A 106 2.094 -2.467 7.487 1.00 0.00 H new ATOM 0 HA TYR A 106 4.417 -4.186 7.180 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.559 -2.884 5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.716 -1.394 6.192 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.055 -0.609 6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.419 -3.783 4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.350 -0.341 6.023 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.714 -3.522 3.255 1.00 0.00 H new ATOM 0 HH TYR A 106 9.994 -2.537 4.398 1.00 0.00 H new ATOM 1654 N GLY A 112 13.534 2.343 -0.045 1.00 0.00 N ATOM 1655 CA GLY A 112 13.542 1.468 -1.204 1.00 0.00 C ATOM 1656 C GLY A 112 14.310 0.185 -0.956 1.00 0.00 C ATOM 1657 O GLY A 112 14.007 -0.850 -1.549 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.516 1.226 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.984 1.995 -2.050 1.00 0.00 H new ATOM 1661 N GLU A 113 15.307 0.253 -0.080 1.00 0.00 N ATOM 1662 CA GLU A 113 16.122 -0.913 0.241 1.00 0.00 C ATOM 1663 C GLU A 113 15.369 -1.863 1.168 1.00 0.00 C ATOM 1664 O GLU A 113 15.141 -3.025 0.830 1.00 0.00 O ATOM 1665 CB GLU A 113 17.436 -0.480 0.895 1.00 0.00 C ATOM 1666 CG GLU A 113 17.890 0.911 0.487 1.00 0.00 C ATOM 1667 CD GLU A 113 19.389 1.097 0.615 1.00 0.00 C ATOM 1668 OE1 GLU A 113 19.944 0.736 1.674 1.00 0.00 O ATOM 1669 OE2 GLU A 113 20.008 1.605 -0.344 1.00 0.00 O ATOM 0 H GLU A 113 15.570 1.102 0.420 1.00 0.00 H new ATOM 0 HA GLU A 113 16.343 -1.438 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.321 -0.512 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.215 -1.198 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.591 1.098 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.382 1.651 1.106 1.00 0.00 H new ATOM 1676 N ALA A 114 14.987 -1.361 2.338 1.00 0.00 N ATOM 1677 CA ALA A 114 14.259 -2.164 3.312 1.00 0.00 C ATOM 1678 C ALA A 114 13.009 -2.779 2.693 1.00 0.00 C ATOM 1679 O ALA A 114 12.769 -3.980 2.820 1.00 0.00 O ATOM 1680 CB ALA A 114 13.890 -1.319 4.522 1.00 0.00 C ATOM 0 H ALA A 114 15.170 -0.402 2.634 1.00 0.00 H new ATOM 0 HA ALA A 114 14.910 -2.977 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.347 -1.932 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.797 -0.933 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.261 -0.486 4.206 1.00 0.00 H new ATOM 1686 N ILE A 115 12.216 -1.949 2.024 1.00 0.00 N ATOM 1687 CA ILE A 115 10.991 -2.413 1.386 1.00 0.00 C ATOM 1688 C ILE A 115 11.255 -3.631 0.507 1.00 0.00 C ATOM 1689 O ILE A 115 10.477 -4.584 0.499 1.00 0.00 O ATOM 1690 CB ILE A 115 10.349 -1.305 0.528 1.00 0.00 C ATOM 1691 CG1 ILE A 115 10.009 -0.091 1.395 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.103 -1.831 -0.170 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.081 1.223 0.649 1.00 0.00 C ATOM 0 H ILE A 115 12.400 -0.952 1.910 1.00 0.00 H new ATOM 0 HA ILE A 115 10.304 -2.688 2.186 1.00 0.00 H new ATOM 0 HB ILE A 115 11.064 -0.995 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.005 -0.214 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.694 -0.057 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.661 -1.037 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.373 -2.668 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.382 -2.165 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.828 2.040 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.091 1.369 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.376 1.209 -0.182 1.00 0.00 H new ATOM 1705 N VAL A 116 12.360 -3.593 -0.230 1.00 0.00 N ATOM 1706 CA VAL A 116 12.730 -4.695 -1.110 1.00 0.00 C ATOM 1707 C VAL A 116 12.941 -5.982 -0.320 1.00 0.00 C ATOM 1708 O VAL A 116 12.579 -7.068 -0.775 1.00 0.00 O ATOM 1709 CB VAL A 116 14.013 -4.376 -1.901 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.485 -5.601 -2.670 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.780 -3.203 -2.841 1.00 0.00 C ATOM 0 H VAL A 116 13.015 -2.811 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 116 11.905 -4.832 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 116 14.795 -4.097 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.392 -5.356 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.693 -6.411 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.708 -5.914 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.696 -2.991 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 116 12.984 -3.452 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.493 -2.325 -2.263 1.00 0.00 H new ATOM 1721 N ASP A 117 13.527 -5.853 0.865 1.00 0.00 N ATOM 1722 CA ASP A 117 13.784 -7.006 1.720 1.00 0.00 C ATOM 1723 C ASP A 117 12.497 -7.491 2.380 1.00 0.00 C ATOM 1724 O ASP A 117 12.316 -8.688 2.604 1.00 0.00 O ATOM 1725 CB ASP A 117 14.819 -6.654 2.790 1.00 0.00 C ATOM 1726 CG ASP A 117 15.545 -7.875 3.317 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.873 -8.779 3.857 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.786 -7.928 3.190 1.00 0.00 O ATOM 0 H ASP A 117 13.833 -4.962 1.255 1.00 0.00 H new ATOM 0 HA ASP A 117 14.176 -7.809 1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.544 -5.955 2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.324 -6.144 3.617 1.00 0.00 H new ATOM 1733 N ALA A 118 11.608 -6.554 2.690 1.00 0.00 N ATOM 1734 CA ALA A 118 10.338 -6.886 3.323 1.00 0.00 C ATOM 1735 C ALA A 118 9.430 -7.652 2.366 1.00 0.00 C ATOM 1736 O ALA A 118 8.932 -8.728 2.695 1.00 0.00 O ATOM 1737 CB ALA A 118 9.646 -5.623 3.813 1.00 0.00 C ATOM 0 H ALA A 118 11.744 -5.559 2.513 1.00 0.00 H new ATOM 0 HA ALA A 118 10.545 -7.529 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.699 -5.886 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.283 -5.117 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.460 -4.959 2.969 1.00 0.00 H new ATOM 1743 N ALA A 119 9.219 -7.089 1.181 1.00 0.00 N ATOM 1744 CA ALA A 119 8.373 -7.719 0.176 1.00 0.00 C ATOM 1745 C ALA A 119 8.815 -9.153 -0.093 1.00 0.00 C ATOM 1746 O ALA A 119 7.986 -10.052 -0.246 1.00 0.00 O ATOM 1747 CB ALA A 119 8.390 -6.909 -1.112 1.00 0.00 C ATOM 0 H ALA A 119 9.623 -6.197 0.894 1.00 0.00 H new ATOM 0 HA ALA A 119 7.354 -7.747 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.754 -7.392 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.019 -5.903 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.410 -6.851 -1.492 1.00 0.00 H new ATOM 1753 N LEU A 120 10.126 -9.362 -0.151 1.00 0.00 N ATOM 1754 CA LEU A 120 10.679 -10.689 -0.402 1.00 0.00 C ATOM 1755 C LEU A 120 10.359 -11.639 0.748 1.00 0.00 C ATOM 1756 O LEU A 120 9.730 -12.678 0.551 1.00 0.00 O ATOM 1757 CB LEU A 120 12.193 -10.602 -0.602 1.00 0.00 C ATOM 1758 CG LEU A 120 12.665 -9.801 -1.816 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.058 -9.240 -1.576 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.645 -10.667 -3.067 1.00 0.00 C ATOM 0 H LEU A 120 10.826 -8.630 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 120 10.221 -11.081 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.633 -10.161 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.587 -11.615 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 120 11.980 -8.966 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.378 -8.673 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.041 -8.585 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.755 -10.059 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.984 -10.081 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.307 -11.522 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.630 -11.020 -3.249 1.00 0.00 H new ATOM 1772 N SER A 121 10.796 -11.273 1.949 1.00 0.00 N ATOM 1773 CA SER A 121 10.558 -12.094 3.131 1.00 0.00 C ATOM 1774 C SER A 121 9.143 -12.666 3.119 1.00 0.00 C ATOM 1775 O SER A 121 8.926 -13.821 3.484 1.00 0.00 O ATOM 1776 CB SER A 121 10.777 -11.271 4.402 1.00 0.00 C ATOM 1777 OG SER A 121 11.142 -12.101 5.490 1.00 0.00 O ATOM 0 H SER A 121 11.316 -10.414 2.129 1.00 0.00 H new ATOM 0 HA SER A 121 11.266 -12.922 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.557 -10.529 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.866 -10.725 4.647 1.00 0.00 H new ATOM 0 HG SER A 121 11.278 -11.551 6.290 1.00 0.00 H new ATOM 1783 N ALA A 122 8.184 -11.848 2.697 1.00 0.00 N ATOM 1784 CA ALA A 122 6.791 -12.272 2.636 1.00 0.00 C ATOM 1785 C ALA A 122 6.542 -13.166 1.426 1.00 0.00 C ATOM 1786 O ALA A 122 5.868 -14.192 1.528 1.00 0.00 O ATOM 1787 CB ALA A 122 5.872 -11.060 2.596 1.00 0.00 C ATOM 0 H ALA A 122 8.347 -10.888 2.392 1.00 0.00 H new ATOM 0 HA ALA A 122 6.573 -12.850 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.835 -11.391 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.022 -10.460 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.100 -10.459 1.715 1.00 0.00 H new