USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 22 SER OG : rot 180:sc= -2.31 USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 23:sc= 0.116 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.56) USER MOD Single : A 26 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -131:sc= 0.0556 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.345 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 37 GLN : amide:sc= -0.0295 X(o=-0.029,f=-0.12) USER MOD Single : A 38 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.0657 (180deg=-0.357) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 47 GLN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -5.74! C(o=-5.7!,f=-7.9!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 72 GLN : amide:sc= -0.119 K(o=-0.12,f=-1) USER MOD Single : A 73 THR OG1 : rot -57:sc= 0.799 USER MOD Single : A 74 MET CE :methyl -107:sc= -0.821 (180deg=-6.87!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0183 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -165:sc=-0.00716 (180deg=-0.129) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -150:sc= -0.158 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -104:sc= 0.78 USER MOD Single : A 99 HIS : no HD1:sc= -0.792 X(o=-0.79,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -8.984 7.079 10.850 1.00 0.00 N ATOM 169 CA THR A 15 -7.715 6.994 10.137 1.00 0.00 C ATOM 170 C THR A 15 -6.945 5.739 10.533 1.00 0.00 C ATOM 171 O THR A 15 -6.489 5.610 11.669 1.00 0.00 O ATOM 172 CB THR A 15 -6.835 8.229 10.408 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.565 9.425 10.111 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.566 8.183 9.571 1.00 0.00 C ATOM 0 HA THR A 15 -7.952 6.952 9.074 1.00 0.00 H new ATOM 0 HB THR A 15 -6.557 8.226 11.462 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.527 9.243 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.961 9.065 9.779 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.998 7.286 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.828 8.164 8.513 1.00 0.00 H new ATOM 182 N LYS A 16 -6.804 4.815 9.588 1.00 0.00 N ATOM 183 CA LYS A 16 -6.087 3.570 9.837 1.00 0.00 C ATOM 184 C LYS A 16 -4.605 3.721 9.511 1.00 0.00 C ATOM 185 O LYS A 16 -4.236 4.417 8.565 1.00 0.00 O ATOM 186 CB LYS A 16 -6.690 2.436 9.004 1.00 0.00 C ATOM 187 CG LYS A 16 -8.096 2.050 9.430 1.00 0.00 C ATOM 188 CD LYS A 16 -8.086 1.242 10.717 1.00 0.00 C ATOM 189 CE LYS A 16 -9.439 1.285 11.412 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.498 0.619 10.605 1.00 0.00 N ATOM 0 H LYS A 16 -7.177 4.905 8.643 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.185 3.328 10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.706 2.735 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.044 1.561 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.695 2.950 9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.571 1.470 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.822 0.208 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.319 1.631 11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.363 0.798 12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.720 2.322 11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.404 0.669 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.588 1.099 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.242 -0.377 10.451 1.00 0.00 H new ATOM 204 N GLU A 17 -3.760 3.065 10.301 1.00 0.00 N ATOM 205 CA GLU A 17 -2.318 3.127 10.095 1.00 0.00 C ATOM 206 C GLU A 17 -1.737 1.731 9.892 1.00 0.00 C ATOM 207 O GLU A 17 -2.028 0.808 10.654 1.00 0.00 O ATOM 208 CB GLU A 17 -1.639 3.806 11.286 1.00 0.00 C ATOM 209 CG GLU A 17 -1.787 5.318 11.290 1.00 0.00 C ATOM 210 CD GLU A 17 -1.789 5.900 12.691 1.00 0.00 C ATOM 211 OE1 GLU A 17 -0.948 5.474 13.510 1.00 0.00 O ATOM 212 OE2 GLU A 17 -2.630 6.781 12.967 1.00 0.00 O ATOM 0 H GLU A 17 -4.049 2.485 11.089 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.130 3.714 9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.058 3.406 12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.579 3.553 11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.972 5.761 10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.715 5.590 10.786 1.00 0.00 H new ATOM 219 N LEU A 18 -0.914 1.584 8.859 1.00 0.00 N ATOM 220 CA LEU A 18 -0.291 0.300 8.554 1.00 0.00 C ATOM 221 C LEU A 18 1.226 0.436 8.478 1.00 0.00 C ATOM 222 O LEU A 18 1.750 1.235 7.702 1.00 0.00 O ATOM 223 CB LEU A 18 -0.833 -0.251 7.234 1.00 0.00 C ATOM 224 CG LEU A 18 -0.823 -1.773 7.088 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.049 -2.381 7.752 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.758 -2.168 5.620 1.00 0.00 C ATOM 0 H LEU A 18 -0.663 2.337 8.219 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.535 -0.395 9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.858 0.099 7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.250 0.176 6.418 1.00 0.00 H new ATOM 0 HG LEU A 18 0.065 -2.161 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.025 -3.465 7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.052 -2.128 8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.950 -1.987 7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.752 -3.255 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.627 -1.768 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.151 -1.764 5.174 1.00 0.00 H new ATOM 238 N VAL A 19 1.928 -0.352 9.287 1.00 0.00 N ATOM 239 CA VAL A 19 3.385 -0.323 9.308 1.00 0.00 C ATOM 240 C VAL A 19 3.964 -1.731 9.230 1.00 0.00 C ATOM 241 O VAL A 19 3.822 -2.525 10.160 1.00 0.00 O ATOM 242 CB VAL A 19 3.914 0.368 10.579 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.435 0.363 10.597 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.376 1.788 10.676 1.00 0.00 C ATOM 0 H VAL A 19 1.510 -1.018 9.937 1.00 0.00 H new ATOM 0 HA VAL A 19 3.703 0.246 8.434 1.00 0.00 H new ATOM 0 HB VAL A 19 3.563 -0.190 11.447 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.790 0.855 11.502 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.796 -0.665 10.578 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.811 0.895 9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.760 2.261 11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.695 2.358 9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.287 1.763 10.714 1.00 0.00 H new ATOM 254 N PHE A 20 4.619 -2.034 8.114 1.00 0.00 N ATOM 255 CA PHE A 20 5.220 -3.348 7.913 1.00 0.00 C ATOM 256 C PHE A 20 6.705 -3.222 7.586 1.00 0.00 C ATOM 257 O PHE A 20 7.263 -2.124 7.595 1.00 0.00 O ATOM 258 CB PHE A 20 4.500 -4.095 6.789 1.00 0.00 C ATOM 259 CG PHE A 20 4.123 -3.217 5.631 1.00 0.00 C ATOM 260 CD1 PHE A 20 2.991 -2.420 5.689 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.900 -3.188 4.484 1.00 0.00 C ATOM 262 CE1 PHE A 20 2.641 -1.611 4.624 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.555 -2.381 3.416 1.00 0.00 C ATOM 264 CZ PHE A 20 3.424 -1.591 3.487 1.00 0.00 C ATOM 0 H PHE A 20 4.747 -1.388 7.335 1.00 0.00 H new ATOM 0 HA PHE A 20 5.117 -3.913 8.839 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.141 -4.900 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.599 -4.559 7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.375 -2.431 6.576 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.786 -3.803 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.756 -0.995 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.169 -2.368 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.153 -0.959 2.654 1.00 0.00 H new ATOM 274 N SER A 21 7.340 -4.354 7.298 1.00 0.00 N ATOM 275 CA SER A 21 8.761 -4.372 6.972 1.00 0.00 C ATOM 276 C SER A 21 8.973 -4.284 5.463 1.00 0.00 C ATOM 277 O SER A 21 8.146 -4.750 4.681 1.00 0.00 O ATOM 278 CB SER A 21 9.415 -5.642 7.517 1.00 0.00 C ATOM 279 OG SER A 21 8.905 -6.796 6.871 1.00 0.00 O ATOM 0 H SER A 21 6.893 -5.271 7.284 1.00 0.00 H new ATOM 0 HA SER A 21 9.227 -3.504 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.494 -5.589 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.238 -5.714 8.590 1.00 0.00 H new ATOM 0 HG SER A 21 9.340 -7.595 7.236 1.00 0.00 H new ATOM 285 N SER A 22 10.089 -3.683 5.063 1.00 0.00 N ATOM 286 CA SER A 22 10.410 -3.530 3.649 1.00 0.00 C ATOM 287 C SER A 22 10.769 -4.875 3.025 1.00 0.00 C ATOM 288 O SER A 22 10.622 -5.070 1.819 1.00 0.00 O ATOM 289 CB SER A 22 11.569 -2.547 3.471 1.00 0.00 C ATOM 290 OG SER A 22 11.322 -1.336 4.164 1.00 0.00 O ATOM 0 H SER A 22 10.786 -3.294 5.698 1.00 0.00 H new ATOM 0 HA SER A 22 9.529 -3.137 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.491 -2.998 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.715 -2.340 2.411 1.00 0.00 H new ATOM 0 HG SER A 22 12.078 -0.726 4.036 1.00 0.00 H new ATOM 296 N ASN A 23 11.239 -5.799 3.856 1.00 0.00 N ATOM 297 CA ASN A 23 11.619 -7.127 3.386 1.00 0.00 C ATOM 298 C ASN A 23 10.404 -8.046 3.311 1.00 0.00 C ATOM 299 O ASN A 23 10.533 -9.242 3.050 1.00 0.00 O ATOM 300 CB ASN A 23 12.676 -7.734 4.311 1.00 0.00 C ATOM 301 CG ASN A 23 13.240 -9.034 3.770 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.655 -9.109 2.613 1.00 0.00 O ATOM 303 ND2 ASN A 23 13.256 -10.065 4.606 1.00 0.00 N ATOM 0 H ASN A 23 11.366 -5.653 4.858 1.00 0.00 H new ATOM 0 HA ASN A 23 12.037 -7.025 2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.487 -7.019 4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.237 -7.912 5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.623 -10.966 4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.902 -9.957 5.556 1.00 0.00 H new ATOM 310 N ILE A 24 9.225 -7.479 3.541 1.00 0.00 N ATOM 311 CA ILE A 24 7.986 -8.246 3.498 1.00 0.00 C ATOM 312 C ILE A 24 7.835 -8.970 2.164 1.00 0.00 C ATOM 313 O ILE A 24 7.942 -8.362 1.100 1.00 0.00 O ATOM 314 CB ILE A 24 6.757 -7.346 3.723 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.491 -8.196 3.848 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.619 -6.345 2.586 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.277 -7.410 4.290 1.00 0.00 C ATOM 0 H ILE A 24 9.101 -6.490 3.759 1.00 0.00 H new ATOM 0 HA ILE A 24 8.040 -8.979 4.303 1.00 0.00 H new ATOM 0 HB ILE A 24 6.894 -6.794 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.281 -8.664 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.672 -9.001 4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.746 -5.716 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.512 -5.722 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.500 -6.879 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.417 -8.076 4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.468 -6.964 5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.070 -6.622 3.566 1.00 0.00 H new ATOM 329 N GLY A 25 7.583 -10.274 2.229 1.00 0.00 N ATOM 330 CA GLY A 25 7.419 -11.059 1.020 1.00 0.00 C ATOM 331 C GLY A 25 6.045 -10.893 0.402 1.00 0.00 C ATOM 332 O GLY A 25 5.209 -10.154 0.923 1.00 0.00 O ATOM 0 H GLY A 25 7.490 -10.800 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.178 -10.766 0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.586 -12.112 1.249 1.00 0.00 H new ATOM 336 N GLN A 26 5.811 -11.579 -0.712 1.00 0.00 N ATOM 337 CA GLN A 26 4.529 -11.500 -1.402 1.00 0.00 C ATOM 338 C GLN A 26 3.430 -12.176 -0.587 1.00 0.00 C ATOM 339 O GLN A 26 2.293 -11.704 -0.548 1.00 0.00 O ATOM 340 CB GLN A 26 4.629 -12.150 -2.783 1.00 0.00 C ATOM 341 CG GLN A 26 3.313 -12.165 -3.545 1.00 0.00 C ATOM 342 CD GLN A 26 2.985 -10.823 -4.169 1.00 0.00 C ATOM 343 OE1 GLN A 26 3.137 -10.633 -5.375 1.00 0.00 O ATOM 344 NE2 GLN A 26 2.532 -9.883 -3.347 1.00 0.00 N ATOM 0 H GLN A 26 6.492 -12.195 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 26 4.273 -10.447 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.375 -11.617 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.985 -13.174 -2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.359 -12.923 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.509 -12.453 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.421 -10.085 -2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.295 -8.960 -3.710 1.00 0.00 H new ATOM 353 N HIS A 27 3.777 -13.283 0.062 1.00 0.00 N ATOM 354 CA HIS A 27 2.820 -14.023 0.876 1.00 0.00 C ATOM 355 C HIS A 27 2.166 -13.111 1.909 1.00 0.00 C ATOM 356 O HIS A 27 0.941 -13.069 2.027 1.00 0.00 O ATOM 357 CB HIS A 27 3.511 -15.193 1.577 1.00 0.00 C ATOM 358 CG HIS A 27 2.560 -16.219 2.110 1.00 0.00 C ATOM 359 ND1 HIS A 27 2.318 -17.421 1.479 1.00 0.00 N ATOM 360 CD2 HIS A 27 1.789 -16.218 3.222 1.00 0.00 C ATOM 361 CE1 HIS A 27 1.438 -18.114 2.179 1.00 0.00 C ATOM 362 NE2 HIS A 27 1.101 -17.407 3.243 1.00 0.00 N ATOM 0 H HIS A 27 4.713 -13.687 0.040 1.00 0.00 H new ATOM 0 HA HIS A 27 2.044 -14.412 0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.195 -15.673 0.877 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.115 -14.808 2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.726 -15.429 3.957 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.058 -19.093 1.925 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.438 -17.697 3.962 1.00 0.00 H new ATOM 371 N ASP A 28 2.990 -12.384 2.656 1.00 0.00 N ATOM 372 CA ASP A 28 2.491 -11.472 3.679 1.00 0.00 C ATOM 373 C ASP A 28 1.900 -10.216 3.047 1.00 0.00 C ATOM 374 O ASP A 28 0.725 -9.904 3.242 1.00 0.00 O ATOM 375 CB ASP A 28 3.615 -11.092 4.645 1.00 0.00 C ATOM 376 CG ASP A 28 3.097 -10.411 5.896 1.00 0.00 C ATOM 377 OD1 ASP A 28 2.338 -9.427 5.766 1.00 0.00 O ATOM 378 OD2 ASP A 28 3.451 -10.861 7.006 1.00 0.00 O ATOM 0 H ASP A 28 4.006 -12.408 2.572 1.00 0.00 H new ATOM 0 HA ASP A 28 1.703 -11.982 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.168 -11.989 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.317 -10.430 4.138 1.00 0.00 H new ATOM 383 N LEU A 29 2.722 -9.498 2.290 1.00 0.00 N ATOM 384 CA LEU A 29 2.281 -8.275 1.629 1.00 0.00 C ATOM 385 C LEU A 29 0.870 -8.435 1.072 1.00 0.00 C ATOM 386 O LEU A 29 0.043 -7.529 1.180 1.00 0.00 O ATOM 387 CB LEU A 29 3.247 -7.904 0.502 1.00 0.00 C ATOM 388 CG LEU A 29 3.042 -6.527 -0.132 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.509 -5.430 0.811 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.776 -6.438 -1.462 1.00 0.00 C ATOM 0 H LEU A 29 3.698 -9.742 2.119 1.00 0.00 H new ATOM 0 HA LEU A 29 2.271 -7.475 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.264 -7.955 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.167 -8.658 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 29 1.977 -6.389 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.355 -4.458 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.939 -5.480 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.569 -5.564 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.619 -5.452 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.842 -6.598 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.393 -7.200 -2.141 1.00 0.00 H new ATOM 402 N ASP A 30 0.602 -9.593 0.478 1.00 0.00 N ATOM 403 CA ASP A 30 -0.710 -9.873 -0.093 1.00 0.00 C ATOM 404 C ASP A 30 -1.821 -9.413 0.846 1.00 0.00 C ATOM 405 O ASP A 30 -2.744 -8.709 0.436 1.00 0.00 O ATOM 406 CB ASP A 30 -0.855 -11.368 -0.381 1.00 0.00 C ATOM 407 CG ASP A 30 -2.073 -11.678 -1.230 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.483 -10.804 -2.022 1.00 0.00 O ATOM 409 OD2 ASP A 30 -2.615 -12.796 -1.102 1.00 0.00 O ATOM 0 H ASP A 30 1.276 -10.352 0.380 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.798 -9.320 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.040 -11.726 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.924 -11.912 0.561 1.00 0.00 H new ATOM 414 N THR A 31 -1.726 -9.817 2.109 1.00 0.00 N ATOM 415 CA THR A 31 -2.724 -9.449 3.106 1.00 0.00 C ATOM 416 C THR A 31 -2.673 -7.955 3.409 1.00 0.00 C ATOM 417 O THR A 31 -3.702 -7.327 3.661 1.00 0.00 O ATOM 418 CB THR A 31 -2.524 -10.233 4.417 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.436 -11.635 4.140 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.670 -9.973 5.383 1.00 0.00 C ATOM 0 H THR A 31 -0.968 -10.399 2.466 1.00 0.00 H new ATOM 0 HA THR A 31 -3.698 -9.700 2.686 1.00 0.00 H new ATOM 0 HB THR A 31 -1.596 -9.895 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.307 -12.127 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.507 -10.537 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.717 -8.909 5.614 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.609 -10.287 4.927 1.00 0.00 H new ATOM 428 N LYS A 32 -1.471 -7.391 3.381 1.00 0.00 N ATOM 429 CA LYS A 32 -1.285 -5.970 3.650 1.00 0.00 C ATOM 430 C LYS A 32 -2.103 -5.122 2.681 1.00 0.00 C ATOM 431 O LYS A 32 -2.815 -4.205 3.092 1.00 0.00 O ATOM 432 CB LYS A 32 0.196 -5.599 3.546 1.00 0.00 C ATOM 433 CG LYS A 32 1.088 -6.386 4.490 1.00 0.00 C ATOM 434 CD LYS A 32 1.155 -5.738 5.863 1.00 0.00 C ATOM 435 CE LYS A 32 1.613 -6.727 6.924 1.00 0.00 C ATOM 436 NZ LYS A 32 0.501 -7.605 7.381 1.00 0.00 N ATOM 0 H LYS A 32 -0.610 -7.897 3.174 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.632 -5.769 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.532 -5.762 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.311 -4.535 3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.710 -7.404 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.091 -6.456 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.840 -4.891 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.174 -5.345 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.420 -7.341 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.020 -6.183 7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.474 -7.619 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.402 -7.240 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.653 -8.571 7.026 1.00 0.00 H new ATOM 450 N SER A 33 -1.996 -5.434 1.394 1.00 0.00 N ATOM 451 CA SER A 33 -2.724 -4.698 0.366 1.00 0.00 C ATOM 452 C SER A 33 -4.227 -4.928 0.495 1.00 0.00 C ATOM 453 O SER A 33 -5.020 -3.989 0.415 1.00 0.00 O ATOM 454 CB SER A 33 -2.250 -5.121 -1.026 1.00 0.00 C ATOM 455 OG SER A 33 -0.942 -4.641 -1.286 1.00 0.00 O ATOM 0 H SER A 33 -1.413 -6.191 1.038 1.00 0.00 H new ATOM 0 HA SER A 33 -2.523 -3.636 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.264 -6.208 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.938 -4.738 -1.780 1.00 0.00 H new ATOM 0 HG SER A 33 -0.661 -4.926 -2.181 1.00 0.00 H new ATOM 461 N LYS A 34 -4.612 -6.184 0.695 1.00 0.00 N ATOM 462 CA LYS A 34 -6.019 -6.540 0.836 1.00 0.00 C ATOM 463 C LYS A 34 -6.676 -5.729 1.948 1.00 0.00 C ATOM 464 O LYS A 34 -7.726 -5.119 1.746 1.00 0.00 O ATOM 465 CB LYS A 34 -6.161 -8.035 1.129 1.00 0.00 C ATOM 466 CG LYS A 34 -6.272 -8.892 -0.120 1.00 0.00 C ATOM 467 CD LYS A 34 -6.019 -10.359 0.185 1.00 0.00 C ATOM 468 CE LYS A 34 -5.763 -11.156 -1.084 1.00 0.00 C ATOM 469 NZ LYS A 34 -7.027 -11.470 -1.807 1.00 0.00 N ATOM 0 H LYS A 34 -3.969 -6.973 0.763 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.522 -6.311 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.301 -8.366 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.044 -8.193 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.265 -8.776 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.555 -8.546 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.162 -10.450 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.878 -10.776 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.100 -10.591 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.248 -12.083 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.809 -12.014 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.649 -12.031 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.506 -10.585 -2.070 1.00 0.00 H new ATOM 483 N GLN A 35 -6.051 -5.725 3.121 1.00 0.00 N ATOM 484 CA GLN A 35 -6.576 -4.987 4.264 1.00 0.00 C ATOM 485 C GLN A 35 -6.910 -3.550 3.878 1.00 0.00 C ATOM 486 O GLN A 35 -8.028 -3.083 4.095 1.00 0.00 O ATOM 487 CB GLN A 35 -5.565 -4.997 5.412 1.00 0.00 C ATOM 488 CG GLN A 35 -6.206 -4.912 6.788 1.00 0.00 C ATOM 489 CD GLN A 35 -6.726 -6.251 7.274 1.00 0.00 C ATOM 490 OE1 GLN A 35 -5.987 -7.235 7.325 1.00 0.00 O ATOM 491 NE2 GLN A 35 -8.003 -6.294 7.634 1.00 0.00 N ATOM 0 H GLN A 35 -5.181 -6.224 3.305 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.492 -5.478 4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.970 -5.908 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.878 -4.160 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.476 -4.529 7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.028 -4.197 6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.578 -5.454 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.409 -7.167 7.970 1.00 0.00 H new ATOM 500 N ILE A 36 -5.934 -2.855 3.304 1.00 0.00 N ATOM 501 CA ILE A 36 -6.125 -1.472 2.887 1.00 0.00 C ATOM 502 C ILE A 36 -7.348 -1.333 1.986 1.00 0.00 C ATOM 503 O ILE A 36 -8.190 -0.461 2.196 1.00 0.00 O ATOM 504 CB ILE A 36 -4.890 -0.931 2.143 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.642 -1.065 3.018 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.107 0.519 1.739 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.347 -0.948 2.246 1.00 0.00 C ATOM 0 H ILE A 36 -5.003 -3.227 3.117 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.276 -0.888 3.795 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.742 -1.521 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.666 -0.296 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.667 -2.029 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.225 0.886 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.975 0.588 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.277 1.123 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.505 -1.053 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.301 -1.733 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.300 0.026 1.759 1.00 0.00 H new ATOM 519 N GLN A 37 -7.438 -2.201 0.983 1.00 0.00 N ATOM 520 CA GLN A 37 -8.559 -2.176 0.050 1.00 0.00 C ATOM 521 C GLN A 37 -9.884 -2.052 0.795 1.00 0.00 C ATOM 522 O GLN A 37 -10.631 -1.094 0.595 1.00 0.00 O ATOM 523 CB GLN A 37 -8.561 -3.440 -0.811 1.00 0.00 C ATOM 524 CG GLN A 37 -9.177 -3.238 -2.186 1.00 0.00 C ATOM 525 CD GLN A 37 -9.010 -4.448 -3.084 1.00 0.00 C ATOM 526 OE1 GLN A 37 -9.143 -5.588 -2.640 1.00 0.00 O ATOM 527 NE2 GLN A 37 -8.716 -4.205 -4.356 1.00 0.00 N ATOM 0 H GLN A 37 -6.749 -2.929 0.796 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.443 -1.305 -0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.536 -3.791 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.108 -4.225 -0.289 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.238 -3.016 -2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.718 -2.371 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.615 -3.244 -4.681 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.591 -4.980 -5.008 1.00 0.00 H new ATOM 536 N GLN A 38 -10.168 -3.026 1.653 1.00 0.00 N ATOM 537 CA GLN A 38 -11.405 -3.025 2.426 1.00 0.00 C ATOM 538 C GLN A 38 -11.632 -1.670 3.087 1.00 0.00 C ATOM 539 O GLN A 38 -12.763 -1.190 3.168 1.00 0.00 O ATOM 540 CB GLN A 38 -11.366 -4.124 3.490 1.00 0.00 C ATOM 541 CG GLN A 38 -11.140 -5.515 2.920 1.00 0.00 C ATOM 542 CD GLN A 38 -12.410 -6.136 2.374 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.032 -5.602 1.456 1.00 0.00 O ATOM 544 NE2 GLN A 38 -12.803 -7.272 2.939 1.00 0.00 N ATOM 0 H GLN A 38 -9.560 -3.825 1.831 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.232 -3.219 1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.573 -3.900 4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.305 -4.115 4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.396 -5.461 2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.730 -6.160 3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.257 -7.680 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.651 -7.736 2.614 1.00 0.00 H new ATOM 553 N TRP A 39 -10.552 -1.058 3.558 1.00 0.00 N ATOM 554 CA TRP A 39 -10.635 0.243 4.213 1.00 0.00 C ATOM 555 C TRP A 39 -10.992 1.335 3.210 1.00 0.00 C ATOM 556 O TRP A 39 -11.947 2.086 3.411 1.00 0.00 O ATOM 557 CB TRP A 39 -9.309 0.577 4.899 1.00 0.00 C ATOM 558 CG TRP A 39 -9.045 -0.255 6.117 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.975 -0.845 6.924 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.765 -0.587 6.667 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.351 -1.523 7.943 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.995 -1.381 7.807 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.448 -0.292 6.306 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.956 -1.882 8.587 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.418 -0.789 7.082 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.676 -1.578 8.211 1.00 0.00 C ATOM 0 H TRP A 39 -9.609 -1.441 3.499 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.423 0.194 4.965 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.495 0.436 4.188 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.309 1.630 5.180 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -11.044 -0.787 6.782 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.821 -2.047 8.681 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.239 0.313 5.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.154 -2.489 9.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.396 -0.565 6.814 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.849 -1.953 8.795 1.00 0.00 H new ATOM 577 N ILE A 40 -10.220 1.418 2.132 1.00 0.00 N ATOM 578 CA ILE A 40 -10.457 2.418 1.098 1.00 0.00 C ATOM 579 C ILE A 40 -11.926 2.451 0.692 1.00 0.00 C ATOM 580 O ILE A 40 -12.510 3.521 0.526 1.00 0.00 O ATOM 581 CB ILE A 40 -9.596 2.151 -0.151 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.110 2.171 0.213 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.897 3.180 -1.231 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.616 3.528 0.660 1.00 0.00 C ATOM 0 H ILE A 40 -9.425 0.805 1.952 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.178 3.383 1.522 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.842 1.163 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.929 1.448 1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.528 1.848 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.281 2.978 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.950 3.121 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.676 4.179 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.555 3.467 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.765 4.252 -0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.172 3.845 1.543 1.00 0.00 H new ATOM 596 N GLU A 41 -12.518 1.271 0.536 1.00 0.00 N ATOM 597 CA GLU A 41 -13.920 1.165 0.150 1.00 0.00 C ATOM 598 C GLU A 41 -14.784 2.119 0.971 1.00 0.00 C ATOM 599 O GLU A 41 -15.740 2.704 0.462 1.00 0.00 O ATOM 600 CB GLU A 41 -14.416 -0.271 0.331 1.00 0.00 C ATOM 601 CG GLU A 41 -13.677 -1.282 -0.530 1.00 0.00 C ATOM 602 CD GLU A 41 -14.372 -2.629 -0.575 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.617 -2.650 -0.677 1.00 0.00 O ATOM 604 OE2 GLU A 41 -13.673 -3.661 -0.508 1.00 0.00 O ATOM 0 H GLU A 41 -12.049 0.376 0.671 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.002 1.440 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.312 -0.553 1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.479 -0.312 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.584 -0.891 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.666 -1.412 -0.144 1.00 0.00 H new ATOM 611 N LYS A 42 -14.440 2.271 2.245 1.00 0.00 N ATOM 612 CA LYS A 42 -15.181 3.153 3.139 1.00 0.00 C ATOM 613 C LYS A 42 -14.464 4.490 3.301 1.00 0.00 C ATOM 614 O LYS A 42 -14.478 5.087 4.377 1.00 0.00 O ATOM 615 CB LYS A 42 -15.364 2.492 4.506 1.00 0.00 C ATOM 616 CG LYS A 42 -16.329 1.319 4.491 1.00 0.00 C ATOM 617 CD LYS A 42 -16.450 0.677 5.862 1.00 0.00 C ATOM 618 CE LYS A 42 -17.625 -0.286 5.926 1.00 0.00 C ATOM 619 NZ LYS A 42 -18.905 0.418 6.213 1.00 0.00 N ATOM 0 H LYS A 42 -13.652 1.794 2.682 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.161 3.336 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.394 2.149 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.723 3.238 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.310 1.659 4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.989 0.576 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.529 0.144 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.572 1.452 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.709 -0.820 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.441 -1.033 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.681 -0.273 6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.835 0.907 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.095 1.113 5.463 1.00 0.00 H new ATOM 633 N LYS A 43 -13.839 4.956 2.224 1.00 0.00 N ATOM 634 CA LYS A 43 -13.119 6.223 2.245 1.00 0.00 C ATOM 635 C LYS A 43 -12.339 6.384 3.546 1.00 0.00 C ATOM 636 O LYS A 43 -12.388 7.436 4.185 1.00 0.00 O ATOM 637 CB LYS A 43 -14.095 7.390 2.076 1.00 0.00 C ATOM 638 CG LYS A 43 -14.879 7.344 0.776 1.00 0.00 C ATOM 639 CD LYS A 43 -14.143 8.059 -0.345 1.00 0.00 C ATOM 640 CE LYS A 43 -14.482 9.541 -0.377 1.00 0.00 C ATOM 641 NZ LYS A 43 -15.892 9.779 -0.791 1.00 0.00 N ATOM 0 H LYS A 43 -13.817 4.474 1.325 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.412 6.225 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.794 7.392 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.540 8.327 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.055 6.306 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.856 7.805 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.068 7.933 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.403 7.604 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.316 9.973 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.810 10.052 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.984 10.742 -1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.161 9.089 -1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.518 9.673 0.032 1.00 0.00 H new ATOM 655 N TYR A 44 -11.619 5.337 3.932 1.00 0.00 N ATOM 656 CA TYR A 44 -10.829 5.362 5.157 1.00 0.00 C ATOM 657 C TYR A 44 -9.373 5.706 4.859 1.00 0.00 C ATOM 658 O TYR A 44 -8.671 4.956 4.179 1.00 0.00 O ATOM 659 CB TYR A 44 -10.909 4.010 5.869 1.00 0.00 C ATOM 660 CG TYR A 44 -12.175 3.825 6.674 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.646 4.832 7.508 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.901 2.642 6.602 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.802 4.667 8.246 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.059 2.468 7.335 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.505 3.483 8.156 1.00 0.00 C ATOM 666 OH TYR A 44 -15.657 3.314 8.889 1.00 0.00 O ATOM 0 H TYR A 44 -11.566 4.460 3.414 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.240 6.133 5.808 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.840 3.214 5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.049 3.905 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.098 5.760 7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.554 1.845 5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.153 5.460 8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.612 1.543 7.266 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.031 2.426 8.711 1.00 0.00 H new ATOM 676 N HIS A 45 -8.924 6.847 5.373 1.00 0.00 N ATOM 677 CA HIS A 45 -7.550 7.292 5.165 1.00 0.00 C ATOM 678 C HIS A 45 -6.560 6.298 5.763 1.00 0.00 C ATOM 679 O HIS A 45 -6.454 6.170 6.983 1.00 0.00 O ATOM 680 CB HIS A 45 -7.340 8.674 5.783 1.00 0.00 C ATOM 681 CG HIS A 45 -7.682 9.802 4.859 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.732 10.517 4.161 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.878 10.337 4.519 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.328 11.444 3.433 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.631 11.355 3.631 1.00 0.00 N ATOM 0 H HIS A 45 -9.491 7.480 5.936 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.373 7.352 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.948 8.756 6.684 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.299 8.771 6.091 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.846 10.022 4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.834 12.154 2.786 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.339 11.946 3.195 1.00 0.00 H new ATOM 694 N VAL A 46 -5.837 5.595 4.896 1.00 0.00 N ATOM 695 CA VAL A 46 -4.856 4.612 5.339 1.00 0.00 C ATOM 696 C VAL A 46 -3.439 5.167 5.241 1.00 0.00 C ATOM 697 O VAL A 46 -2.997 5.577 4.168 1.00 0.00 O ATOM 698 CB VAL A 46 -4.946 3.316 4.512 1.00 0.00 C ATOM 699 CG1 VAL A 46 -3.922 2.301 4.997 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.353 2.740 4.577 1.00 0.00 C ATOM 0 H VAL A 46 -5.913 5.688 3.883 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.084 4.386 6.381 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.723 3.552 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.000 1.392 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.920 2.717 4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.111 2.066 6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.399 1.825 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.607 2.517 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.062 3.465 4.177 1.00 0.00 H new ATOM 710 N GLN A 47 -2.734 5.178 6.367 1.00 0.00 N ATOM 711 CA GLN A 47 -1.366 5.683 6.407 1.00 0.00 C ATOM 712 C GLN A 47 -0.361 4.539 6.338 1.00 0.00 C ATOM 713 O GLN A 47 -0.094 3.872 7.339 1.00 0.00 O ATOM 714 CB GLN A 47 -1.140 6.502 7.679 1.00 0.00 C ATOM 715 CG GLN A 47 0.299 6.956 7.862 1.00 0.00 C ATOM 716 CD GLN A 47 0.438 8.056 8.896 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.153 7.906 9.887 1.00 0.00 O ATOM 718 NE2 GLN A 47 -0.248 9.170 8.670 1.00 0.00 N ATOM 0 H GLN A 47 -3.087 4.843 7.264 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.216 6.325 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.789 7.378 7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.437 5.906 8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.910 6.104 8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.689 7.309 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.828 9.251 7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.195 9.945 9.331 1.00 0.00 H new ATOM 727 N VAL A 48 0.195 4.315 5.152 1.00 0.00 N ATOM 728 CA VAL A 48 1.172 3.252 4.953 1.00 0.00 C ATOM 729 C VAL A 48 2.577 3.723 5.311 1.00 0.00 C ATOM 730 O VAL A 48 3.049 4.744 4.811 1.00 0.00 O ATOM 731 CB VAL A 48 1.166 2.749 3.497 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.243 1.695 3.291 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.204 2.202 3.128 1.00 0.00 C ATOM 0 H VAL A 48 -0.015 4.856 4.313 1.00 0.00 H new ATOM 0 HA VAL A 48 0.887 2.433 5.613 1.00 0.00 H new ATOM 0 HB VAL A 48 1.385 3.591 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.223 1.352 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.220 2.125 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.059 0.852 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.190 1.851 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.455 1.373 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.951 2.989 3.233 1.00 0.00 H new ATOM 743 N THR A 49 3.244 2.970 6.181 1.00 0.00 N ATOM 744 CA THR A 49 4.595 3.310 6.607 1.00 0.00 C ATOM 745 C THR A 49 5.527 2.109 6.492 1.00 0.00 C ATOM 746 O THR A 49 5.478 1.192 7.313 1.00 0.00 O ATOM 747 CB THR A 49 4.614 3.821 8.060 1.00 0.00 C ATOM 748 OG1 THR A 49 3.673 4.889 8.216 1.00 0.00 O ATOM 749 CG2 THR A 49 6.004 4.304 8.446 1.00 0.00 C ATOM 0 H THR A 49 2.870 2.121 6.604 1.00 0.00 H new ATOM 0 HA THR A 49 4.944 4.103 5.945 1.00 0.00 H new ATOM 0 HB THR A 49 4.338 2.995 8.716 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.690 5.207 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.992 4.660 9.476 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.713 3.482 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.303 5.117 7.785 1.00 0.00 H new ATOM 757 N ILE A 50 6.374 2.120 5.468 1.00 0.00 N ATOM 758 CA ILE A 50 7.318 1.031 5.247 1.00 0.00 C ATOM 759 C ILE A 50 8.604 1.250 6.037 1.00 0.00 C ATOM 760 O ILE A 50 9.168 2.345 6.036 1.00 0.00 O ATOM 761 CB ILE A 50 7.665 0.881 3.754 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.413 0.519 2.952 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.746 -0.172 3.565 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.564 0.743 1.463 1.00 0.00 C ATOM 0 H ILE A 50 6.426 2.870 4.779 1.00 0.00 H new ATOM 0 HA ILE A 50 6.833 0.118 5.592 1.00 0.00 H new ATOM 0 HB ILE A 50 8.046 1.834 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.167 -0.528 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.574 1.111 3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.980 -0.267 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.642 0.125 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.391 -1.130 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.639 0.466 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.780 1.794 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.382 0.131 1.084 1.00 0.00 H new ATOM 776 N LYS A 51 9.065 0.201 6.708 1.00 0.00 N ATOM 777 CA LYS A 51 10.288 0.275 7.500 1.00 0.00 C ATOM 778 C LYS A 51 11.360 -0.650 6.934 1.00 0.00 C ATOM 779 O LYS A 51 11.106 -1.827 6.679 1.00 0.00 O ATOM 780 CB LYS A 51 9.999 -0.093 8.957 1.00 0.00 C ATOM 781 CG LYS A 51 9.085 0.893 9.664 1.00 0.00 C ATOM 782 CD LYS A 51 9.075 0.667 11.167 1.00 0.00 C ATOM 783 CE LYS A 51 8.240 1.717 11.883 1.00 0.00 C ATOM 784 NZ LYS A 51 7.842 1.272 13.248 1.00 0.00 N ATOM 0 H LYS A 51 8.610 -0.712 6.720 1.00 0.00 H new ATOM 0 HA LYS A 51 10.658 1.299 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.545 -1.084 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.942 -0.156 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.412 1.911 9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.072 0.795 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.678 -0.325 11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.096 0.692 11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.807 2.645 11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.347 1.933 11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.274 2.015 13.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.280 0.400 13.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.694 1.090 13.816 1.00 0.00 H new ATOM 978 N THR A 63 12.015 0.731 -1.718 1.00 0.00 N ATOM 979 CA THR A 63 10.990 0.942 -0.704 1.00 0.00 C ATOM 980 C THR A 63 9.815 1.733 -1.267 1.00 0.00 C ATOM 981 O THR A 63 8.663 1.489 -0.909 1.00 0.00 O ATOM 982 CB THR A 63 11.556 1.687 0.520 1.00 0.00 C ATOM 983 OG1 THR A 63 12.327 0.790 1.326 1.00 0.00 O ATOM 984 CG2 THR A 63 10.434 2.288 1.353 1.00 0.00 C ATOM 0 HA THR A 63 10.645 -0.044 -0.393 1.00 0.00 H new ATOM 0 HB THR A 63 12.195 2.494 0.163 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.685 1.272 2.101 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.857 2.809 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.866 2.992 0.745 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.773 1.494 1.700 1.00 0.00 H new ATOM 992 N GLU A 64 10.114 2.680 -2.151 1.00 0.00 N ATOM 993 CA GLU A 64 9.080 3.506 -2.763 1.00 0.00 C ATOM 994 C GLU A 64 8.275 2.704 -3.782 1.00 0.00 C ATOM 995 O GLU A 64 7.053 2.830 -3.860 1.00 0.00 O ATOM 996 CB GLU A 64 9.706 4.728 -3.439 1.00 0.00 C ATOM 997 CG GLU A 64 8.739 5.887 -3.617 1.00 0.00 C ATOM 998 CD GLU A 64 7.957 5.799 -4.913 1.00 0.00 C ATOM 999 OE1 GLU A 64 8.438 6.335 -5.933 1.00 0.00 O ATOM 1000 OE2 GLU A 64 6.864 5.195 -4.908 1.00 0.00 O ATOM 0 H GLU A 64 11.063 2.894 -2.459 1.00 0.00 H new ATOM 0 HA GLU A 64 8.405 3.841 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.557 5.064 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.092 4.435 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.044 5.908 -2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.294 6.825 -3.594 1.00 0.00 H new ATOM 1007 N GLU A 65 8.970 1.881 -4.560 1.00 0.00 N ATOM 1008 CA GLU A 65 8.320 1.060 -5.575 1.00 0.00 C ATOM 1009 C GLU A 65 7.138 0.298 -4.983 1.00 0.00 C ATOM 1010 O GLU A 65 6.020 0.371 -5.494 1.00 0.00 O ATOM 1011 CB GLU A 65 9.321 0.077 -6.186 1.00 0.00 C ATOM 1012 CG GLU A 65 10.163 0.678 -7.299 1.00 0.00 C ATOM 1013 CD GLU A 65 9.341 1.039 -8.521 1.00 0.00 C ATOM 1014 OE1 GLU A 65 8.513 0.207 -8.947 1.00 0.00 O ATOM 1015 OE2 GLU A 65 9.526 2.154 -9.052 1.00 0.00 O ATOM 0 H GLU A 65 9.982 1.765 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 65 7.948 1.722 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.981 -0.291 -5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.779 -0.784 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.666 1.571 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.940 -0.031 -7.585 1.00 0.00 H new ATOM 1022 N ILE A 66 7.394 -0.434 -3.904 1.00 0.00 N ATOM 1023 CA ILE A 66 6.353 -1.209 -3.243 1.00 0.00 C ATOM 1024 C ILE A 66 5.007 -0.496 -3.315 1.00 0.00 C ATOM 1025 O ILE A 66 4.017 -1.060 -3.782 1.00 0.00 O ATOM 1026 CB ILE A 66 6.701 -1.476 -1.766 1.00 0.00 C ATOM 1027 CG1 ILE A 66 8.068 -2.155 -1.657 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.625 -2.331 -1.114 1.00 0.00 C ATOM 1029 CD1 ILE A 66 8.266 -2.908 -0.360 1.00 0.00 C ATOM 0 H ILE A 66 8.314 -0.506 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 66 6.286 -2.161 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 66 6.747 -0.522 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.189 -2.846 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.848 -1.400 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.885 -2.511 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.668 -1.812 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.550 -3.284 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.256 -3.364 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.177 -2.218 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.508 -3.686 -0.272 1.00 0.00 H new ATOM 1041 N PHE A 67 4.977 0.749 -2.851 1.00 0.00 N ATOM 1042 CA PHE A 67 3.753 1.541 -2.864 1.00 0.00 C ATOM 1043 C PHE A 67 2.924 1.241 -4.109 1.00 0.00 C ATOM 1044 O PHE A 67 1.714 1.033 -4.027 1.00 0.00 O ATOM 1045 CB PHE A 67 4.085 3.033 -2.806 1.00 0.00 C ATOM 1046 CG PHE A 67 4.667 3.467 -1.491 1.00 0.00 C ATOM 1047 CD1 PHE A 67 4.004 3.202 -0.303 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.878 4.139 -1.442 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.538 3.601 0.908 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.417 4.540 -0.234 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.746 4.270 0.942 1.00 0.00 C ATOM 0 H PHE A 67 5.787 1.231 -2.461 1.00 0.00 H new ATOM 0 HA PHE A 67 3.167 1.272 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.790 3.271 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.179 3.607 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.060 2.678 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.407 4.352 -2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.011 3.390 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.361 5.064 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.165 4.581 1.887 1.00 0.00 H new ATOM 1061 N ASN A 68 3.585 1.221 -5.262 1.00 0.00 N ATOM 1062 CA ASN A 68 2.910 0.947 -6.526 1.00 0.00 C ATOM 1063 C ASN A 68 2.300 -0.451 -6.525 1.00 0.00 C ATOM 1064 O ASN A 68 1.156 -0.639 -6.936 1.00 0.00 O ATOM 1065 CB ASN A 68 3.890 1.088 -7.692 1.00 0.00 C ATOM 1066 CG ASN A 68 4.593 -0.215 -8.017 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.955 -1.206 -8.374 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.916 -0.221 -7.895 1.00 0.00 N ATOM 0 H ASN A 68 4.587 1.391 -5.347 1.00 0.00 H new ATOM 0 HA ASN A 68 2.107 1.674 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.353 1.438 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.633 1.848 -7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.443 -1.070 -8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.404 0.623 -7.596 1.00 0.00 H new ATOM 1075 N GLN A 69 3.073 -1.428 -6.061 1.00 0.00 N ATOM 1076 CA GLN A 69 2.608 -2.809 -6.007 1.00 0.00 C ATOM 1077 C GLN A 69 1.252 -2.900 -5.317 1.00 0.00 C ATOM 1078 O GLN A 69 0.422 -3.740 -5.666 1.00 0.00 O ATOM 1079 CB GLN A 69 3.627 -3.684 -5.274 1.00 0.00 C ATOM 1080 CG GLN A 69 4.974 -3.765 -5.974 1.00 0.00 C ATOM 1081 CD GLN A 69 5.704 -5.062 -5.686 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.512 -5.676 -4.636 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.546 -5.488 -6.620 1.00 0.00 N ATOM 0 H GLN A 69 4.023 -1.289 -5.717 1.00 0.00 H new ATOM 0 HA GLN A 69 2.499 -3.170 -7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.773 -3.292 -4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.221 -4.690 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.827 -3.666 -7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.594 -2.926 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.675 -4.948 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.064 -6.356 -6.482 1.00 0.00 H new ATOM 1092 N ILE A 70 1.033 -2.031 -4.335 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.223 -2.014 -3.597 1.00 0.00 C ATOM 1094 C ILE A 70 -1.336 -1.373 -4.419 1.00 0.00 C ATOM 1095 O ILE A 70 -2.501 -1.761 -4.317 1.00 0.00 O ATOM 1096 CB ILE A 70 -0.083 -1.255 -2.264 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.076 -1.828 -1.446 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.382 -1.326 -1.475 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.645 -0.852 -0.440 1.00 0.00 C ATOM 0 H ILE A 70 1.709 -1.330 -4.033 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.480 -3.053 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 70 0.131 -0.208 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.734 -2.720 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.869 -2.142 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.267 -0.785 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.186 -0.876 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.624 -2.368 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.463 -1.325 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.018 0.030 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.865 -0.557 0.262 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.970 -0.392 -5.236 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.937 0.303 -6.079 1.00 0.00 C ATOM 1113 C LEU A 71 -2.335 -0.558 -7.274 1.00 0.00 C ATOM 1114 O LEU A 71 -3.308 -0.262 -7.967 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.357 1.633 -6.565 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.327 2.560 -7.297 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -3.020 3.492 -6.315 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.597 3.358 -8.368 1.00 0.00 C ATOM 0 H LEU A 71 -0.011 -0.060 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.828 0.499 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.955 2.167 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.519 1.420 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.087 1.948 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.706 4.144 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.577 2.903 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.274 4.097 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.303 4.012 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.815 3.959 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.149 2.674 -9.089 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.577 -1.625 -7.507 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.852 -2.529 -8.617 1.00 0.00 C ATOM 1132 C GLN A 72 -3.105 -3.356 -8.348 1.00 0.00 C ATOM 1133 O GLN A 72 -3.638 -4.008 -9.247 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.658 -3.454 -8.857 1.00 0.00 C ATOM 1135 CG GLN A 72 0.571 -2.735 -9.388 1.00 0.00 C ATOM 1136 CD GLN A 72 0.602 -2.674 -10.903 1.00 0.00 C ATOM 1137 OE1 GLN A 72 0.210 -3.623 -11.582 1.00 0.00 O ATOM 1138 NE2 GLN A 72 1.070 -1.554 -11.441 1.00 0.00 N ATOM 0 H GLN A 72 -0.768 -1.884 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.021 -1.927 -9.510 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.402 -3.953 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.948 -4.232 -9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.596 -1.722 -8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.467 -3.242 -9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.384 -0.792 -10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.115 -1.455 -12.455 1.00 0.00 H new ATOM 1147 N THR A 73 -3.573 -3.325 -7.103 1.00 0.00 N ATOM 1148 CA THR A 73 -4.762 -4.073 -6.715 1.00 0.00 C ATOM 1149 C THR A 73 -5.970 -3.153 -6.581 1.00 0.00 C ATOM 1150 O THR A 73 -7.113 -3.595 -6.690 1.00 0.00 O ATOM 1151 CB THR A 73 -4.548 -4.817 -5.383 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.398 -3.876 -4.315 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.319 -5.711 -5.455 1.00 0.00 C ATOM 0 H THR A 73 -3.146 -2.790 -6.347 1.00 0.00 H new ATOM 0 HA THR A 73 -4.949 -4.802 -7.504 1.00 0.00 H new ATOM 0 HB THR A 73 -5.422 -5.441 -5.196 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.653 -3.272 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.188 -6.226 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.449 -6.445 -6.250 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.439 -5.103 -5.663 1.00 0.00 H new ATOM 1161 N MET A 74 -5.709 -1.871 -6.346 1.00 0.00 N ATOM 1162 CA MET A 74 -6.777 -0.889 -6.199 1.00 0.00 C ATOM 1163 C MET A 74 -6.531 0.320 -7.097 1.00 0.00 C ATOM 1164 O MET A 74 -6.729 1.468 -6.701 1.00 0.00 O ATOM 1165 CB MET A 74 -6.890 -0.441 -4.741 1.00 0.00 C ATOM 1166 CG MET A 74 -5.545 -0.231 -4.064 1.00 0.00 C ATOM 1167 SD MET A 74 -5.706 0.201 -2.320 1.00 0.00 S ATOM 1168 CE MET A 74 -4.797 -1.139 -1.555 1.00 0.00 C ATOM 0 H MET A 74 -4.768 -1.488 -6.253 1.00 0.00 H new ATOM 0 HA MET A 74 -7.713 -1.359 -6.500 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.458 0.488 -4.698 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.456 -1.187 -4.183 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.950 -1.140 -4.156 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.001 0.559 -4.582 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.495 -1.824 -1.074 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.229 -1.675 -2.316 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.113 -0.735 -0.809 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.087 0.057 -8.336 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.805 1.111 -9.315 1.00 0.00 C ATOM 1180 C PRO A 75 -7.073 1.798 -9.809 1.00 0.00 C ATOM 1181 O PRO A 75 -7.010 2.819 -10.494 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.124 0.357 -10.460 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.626 -1.041 -10.345 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.828 -1.288 -8.875 1.00 0.00 C ATOM 0 HA PRO A 75 -5.197 1.910 -8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.379 0.791 -11.427 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.038 0.396 -10.370 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.559 -1.167 -10.894 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.911 -1.748 -10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.665 -1.962 -8.692 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.948 -1.741 -8.419 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.222 1.233 -9.457 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.506 1.793 -9.864 1.00 0.00 C ATOM 1194 C ASP A 76 -10.390 2.061 -8.650 1.00 0.00 C ATOM 1195 O ASP A 76 -11.444 2.688 -8.764 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.218 0.844 -10.829 1.00 0.00 C ATOM 1197 CG ASP A 76 -11.083 -0.172 -10.109 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -10.609 -0.755 -9.112 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -12.235 -0.383 -10.543 1.00 0.00 O ATOM 0 H ASP A 76 -8.291 0.387 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.318 2.739 -10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.837 1.424 -11.514 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.477 0.322 -11.434 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.955 1.582 -7.490 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.708 1.771 -6.255 1.00 0.00 C ATOM 1206 C ILE A 77 -9.917 2.602 -5.251 1.00 0.00 C ATOM 1207 O ILE A 77 -10.473 3.118 -4.282 1.00 0.00 O ATOM 1208 CB ILE A 77 -11.078 0.422 -5.610 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.175 0.569 -4.090 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -10.055 -0.641 -5.981 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.553 -0.713 -3.382 1.00 0.00 C ATOM 0 H ILE A 77 -9.086 1.060 -7.379 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.623 2.301 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 77 -12.051 0.109 -5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.217 0.918 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.912 1.336 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.330 -1.588 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.031 -0.760 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.070 -0.337 -5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.603 -0.534 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.525 -1.053 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.803 -1.477 -3.588 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.616 2.730 -5.491 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.749 3.502 -4.610 1.00 0.00 C ATOM 1225 C ALA A 78 -6.708 4.280 -5.408 1.00 0.00 C ATOM 1226 O ALA A 78 -6.265 3.837 -6.468 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.069 2.586 -3.603 1.00 0.00 C ATOM 0 H ALA A 78 -8.140 2.309 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.367 4.220 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.425 3.176 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.825 2.080 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.469 1.845 -4.132 1.00 0.00 H new ATOM 1233 N THR A 79 -6.320 5.442 -4.892 1.00 0.00 N ATOM 1234 CA THR A 79 -5.333 6.282 -5.557 1.00 0.00 C ATOM 1235 C THR A 79 -4.318 6.832 -4.561 1.00 0.00 C ATOM 1236 O THR A 79 -4.557 6.835 -3.353 1.00 0.00 O ATOM 1237 CB THR A 79 -6.001 7.458 -6.294 1.00 0.00 C ATOM 1238 OG1 THR A 79 -5.052 8.100 -7.154 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.561 8.469 -5.305 1.00 0.00 C ATOM 0 H THR A 79 -6.675 5.823 -4.015 1.00 0.00 H new ATOM 0 HA THR A 79 -4.820 5.652 -6.284 1.00 0.00 H new ATOM 0 HB THR A 79 -6.823 7.063 -6.891 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.485 8.845 -7.620 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.028 9.290 -5.849 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.304 7.985 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.753 8.857 -4.685 1.00 0.00 H new ATOM 1247 N PHE A 80 -3.184 7.298 -5.075 1.00 0.00 N ATOM 1248 CA PHE A 80 -2.132 7.851 -4.229 1.00 0.00 C ATOM 1249 C PHE A 80 -2.566 9.181 -3.621 1.00 0.00 C ATOM 1250 O PHE A 80 -2.489 10.226 -4.267 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.847 8.042 -5.037 1.00 0.00 C ATOM 1252 CG PHE A 80 0.077 6.859 -4.982 1.00 0.00 C ATOM 1253 CD1 PHE A 80 -0.049 5.821 -5.892 1.00 0.00 C ATOM 1254 CD2 PHE A 80 1.072 6.785 -4.021 1.00 0.00 C ATOM 1255 CE1 PHE A 80 0.799 4.732 -5.842 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.924 5.698 -3.967 1.00 0.00 C ATOM 1257 CZ PHE A 80 1.788 4.670 -4.879 1.00 0.00 C ATOM 0 H PHE A 80 -2.970 7.304 -6.072 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.943 7.146 -3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.107 8.242 -6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.321 8.921 -4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.819 5.864 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.183 7.586 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.689 3.929 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.695 5.653 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.453 3.820 -4.840 1.00 0.00 H new ATOM 1267 N SER A 81 -3.024 9.134 -2.374 1.00 0.00 N ATOM 1268 CA SER A 81 -3.475 10.334 -1.679 1.00 0.00 C ATOM 1269 C SER A 81 -2.312 11.293 -1.442 1.00 0.00 C ATOM 1270 O SER A 81 -2.360 12.455 -1.846 1.00 0.00 O ATOM 1271 CB SER A 81 -4.124 9.962 -0.344 1.00 0.00 C ATOM 1272 OG SER A 81 -4.818 11.066 0.210 1.00 0.00 O ATOM 0 H SER A 81 -3.093 8.278 -1.824 1.00 0.00 H new ATOM 0 HA SER A 81 -4.213 10.833 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.814 9.131 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.359 9.622 0.354 1.00 0.00 H new ATOM 0 HG SER A 81 -5.225 10.803 1.062 1.00 0.00 H new ATOM 1278 N SER A 82 -1.269 10.798 -0.784 1.00 0.00 N ATOM 1279 CA SER A 82 -0.095 11.612 -0.490 1.00 0.00 C ATOM 1280 C SER A 82 1.177 10.929 -0.983 1.00 0.00 C ATOM 1281 O SER A 82 1.684 10.004 -0.348 1.00 0.00 O ATOM 1282 CB SER A 82 0.005 11.875 1.014 1.00 0.00 C ATOM 1283 OG SER A 82 -0.686 13.060 1.371 1.00 0.00 O ATOM 0 H SER A 82 -1.213 9.838 -0.444 1.00 0.00 H new ATOM 0 HA SER A 82 -0.202 12.563 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.409 11.029 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.053 11.960 1.303 1.00 0.00 H new ATOM 0 HG SER A 82 -0.609 13.205 2.337 1.00 0.00 H new ATOM 1289 N ARG A 83 1.687 11.392 -2.120 1.00 0.00 N ATOM 1290 CA ARG A 83 2.898 10.825 -2.700 1.00 0.00 C ATOM 1291 C ARG A 83 3.884 10.416 -1.610 1.00 0.00 C ATOM 1292 O ARG A 83 4.119 11.145 -0.646 1.00 0.00 O ATOM 1293 CB ARG A 83 3.556 11.833 -3.644 1.00 0.00 C ATOM 1294 CG ARG A 83 3.029 11.769 -5.068 1.00 0.00 C ATOM 1295 CD ARG A 83 3.829 10.791 -5.915 1.00 0.00 C ATOM 1296 NE ARG A 83 3.552 10.947 -7.340 1.00 0.00 N ATOM 1297 CZ ARG A 83 4.271 10.369 -8.296 1.00 0.00 C ATOM 1298 NH1 ARG A 83 5.305 9.601 -7.981 1.00 0.00 N ATOM 1299 NH2 ARG A 83 3.956 10.559 -9.571 1.00 0.00 N ATOM 0 H ARG A 83 1.280 12.158 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 83 2.618 9.936 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.401 12.839 -3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.632 11.658 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.981 11.469 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.072 12.761 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.893 10.941 -5.734 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.595 9.771 -5.610 1.00 0.00 H new ATOM 0 HE ARG A 83 2.763 11.532 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.550 9.452 -7.002 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.855 9.159 -8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.161 11.149 -9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.508 10.115 -10.304 1.00 0.00 H new ATOM 1313 N PRO A 84 4.473 9.221 -1.763 1.00 0.00 N ATOM 1314 CA PRO A 84 5.442 8.687 -0.801 1.00 0.00 C ATOM 1315 C PRO A 84 6.762 9.451 -0.823 1.00 0.00 C ATOM 1316 O PRO A 84 7.213 9.902 -1.876 1.00 0.00 O ATOM 1317 CB PRO A 84 5.651 7.245 -1.270 1.00 0.00 C ATOM 1318 CG PRO A 84 5.323 7.269 -2.724 1.00 0.00 C ATOM 1319 CD PRO A 84 4.240 8.299 -2.887 1.00 0.00 C ATOM 0 HA PRO A 84 5.084 8.768 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.677 6.918 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.003 6.555 -0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.200 7.527 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.985 6.290 -3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.313 8.810 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.248 7.850 -2.839 1.00 0.00 H new ATOM 1327 N LYS A 85 7.378 9.593 0.346 1.00 0.00 N ATOM 1328 CA LYS A 85 8.648 10.300 0.461 1.00 0.00 C ATOM 1329 C LYS A 85 9.526 9.671 1.538 1.00 0.00 C ATOM 1330 O LYS A 85 9.037 8.950 2.407 1.00 0.00 O ATOM 1331 CB LYS A 85 8.405 11.776 0.785 1.00 0.00 C ATOM 1332 CG LYS A 85 8.380 12.076 2.273 1.00 0.00 C ATOM 1333 CD LYS A 85 7.152 11.482 2.942 1.00 0.00 C ATOM 1334 CE LYS A 85 5.922 12.350 2.722 1.00 0.00 C ATOM 1335 NZ LYS A 85 5.974 13.599 3.532 1.00 0.00 N ATOM 0 H LYS A 85 7.018 9.228 1.228 1.00 0.00 H new ATOM 0 HA LYS A 85 9.166 10.224 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.185 12.376 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.457 12.085 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.279 11.676 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.393 13.155 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.969 10.483 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.335 11.373 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.842 12.605 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.027 11.785 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.030 14.035 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.277 13.372 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.651 14.263 3.104 1.00 0.00 H new ATOM 1349 N ALA A 86 10.824 9.948 1.473 1.00 0.00 N ATOM 1350 CA ALA A 86 11.769 9.412 2.445 1.00 0.00 C ATOM 1351 C ALA A 86 11.612 10.096 3.798 1.00 0.00 C ATOM 1352 O ALA A 86 11.861 11.295 3.930 1.00 0.00 O ATOM 1353 CB ALA A 86 13.194 9.565 1.935 1.00 0.00 C ATOM 0 H ALA A 86 11.245 10.540 0.757 1.00 0.00 H new ATOM 0 HA ALA A 86 11.554 8.352 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.889 9.161 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.304 9.023 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.411 10.621 1.773 1.00 0.00 H new ATOM 1359 N ILE A 87 11.199 9.328 4.801 1.00 0.00 N ATOM 1360 CA ILE A 87 11.011 9.861 6.144 1.00 0.00 C ATOM 1361 C ILE A 87 12.007 9.250 7.123 1.00 0.00 C ATOM 1362 O ILE A 87 12.627 8.226 6.835 1.00 0.00 O ATOM 1363 CB ILE A 87 9.581 9.604 6.656 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.336 8.102 6.817 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.561 10.214 5.707 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.333 7.766 7.899 1.00 0.00 C ATOM 0 H ILE A 87 10.988 8.334 4.708 1.00 0.00 H new ATOM 0 HA ILE A 87 11.179 10.936 6.083 1.00 0.00 H new ATOM 0 HB ILE A 87 9.469 10.078 7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.985 7.696 5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.282 7.610 7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.556 10.024 6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.725 11.289 5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.670 9.766 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.209 6.685 7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.692 8.142 8.857 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.375 8.229 7.663 1.00 0.00 H new ATOM 1378 N ARG A 88 12.155 9.884 8.282 1.00 0.00 N ATOM 1379 CA ARG A 88 13.075 9.402 9.304 1.00 0.00 C ATOM 1380 C ARG A 88 14.470 9.188 8.723 1.00 0.00 C ATOM 1381 O ARG A 88 15.195 8.286 9.140 1.00 0.00 O ATOM 1382 CB ARG A 88 12.559 8.097 9.912 1.00 0.00 C ATOM 1383 CG ARG A 88 11.105 8.163 10.350 1.00 0.00 C ATOM 1384 CD ARG A 88 10.670 6.876 11.033 1.00 0.00 C ATOM 1385 NE ARG A 88 9.221 6.809 11.203 1.00 0.00 N ATOM 1386 CZ ARG A 88 8.615 5.956 12.023 1.00 0.00 C ATOM 1387 NH1 ARG A 88 9.330 5.103 12.743 1.00 0.00 N ATOM 1388 NH2 ARG A 88 7.292 5.956 12.123 1.00 0.00 N ATOM 0 H ARG A 88 11.649 10.733 8.536 1.00 0.00 H new ATOM 0 HA ARG A 88 13.138 10.159 10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.674 7.296 9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.177 7.837 10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.967 9.002 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.471 8.348 9.483 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.006 6.022 10.445 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.153 6.802 12.007 1.00 0.00 H new ATOM 0 HE ARG A 88 8.642 7.452 10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.347 5.100 12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.863 4.449 13.372 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.739 6.611 11.570 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.828 5.301 12.752 1.00 0.00 H new ATOM 1402 N GLY A 89 14.838 10.024 7.756 1.00 0.00 N ATOM 1403 CA GLY A 89 16.143 9.909 7.133 1.00 0.00 C ATOM 1404 C GLY A 89 16.112 9.066 5.873 1.00 0.00 C ATOM 1405 O GLY A 89 17.147 8.825 5.253 1.00 0.00 O ATOM 0 H GLY A 89 14.255 10.779 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.516 10.904 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.844 9.470 7.843 1.00 0.00 H new ATOM 1409 N GLY A 90 14.920 8.614 5.495 1.00 0.00 N ATOM 1410 CA GLY A 90 14.781 7.797 4.304 1.00 0.00 C ATOM 1411 C GLY A 90 14.559 6.333 4.628 1.00 0.00 C ATOM 1412 O GLY A 90 13.788 5.649 3.953 1.00 0.00 O ATOM 0 H GLY A 90 14.049 8.799 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.945 8.165 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.676 7.899 3.691 1.00 0.00 H new ATOM 1416 N THR A 91 15.238 5.848 5.663 1.00 0.00 N ATOM 1417 CA THR A 91 15.113 4.455 6.074 1.00 0.00 C ATOM 1418 C THR A 91 13.675 3.968 5.937 1.00 0.00 C ATOM 1419 O THR A 91 13.432 2.811 5.595 1.00 0.00 O ATOM 1420 CB THR A 91 15.575 4.256 7.530 1.00 0.00 C ATOM 1421 OG1 THR A 91 16.944 4.650 7.668 1.00 0.00 O ATOM 1422 CG2 THR A 91 15.414 2.804 7.954 1.00 0.00 C ATOM 0 H THR A 91 15.880 6.400 6.232 1.00 0.00 H new ATOM 0 HA THR A 91 15.755 3.871 5.414 1.00 0.00 H new ATOM 0 HB THR A 91 14.953 4.877 8.174 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.229 4.522 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.746 2.687 8.985 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.366 2.516 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.014 2.167 7.305 1.00 0.00 H new ATOM 1430 N ALA A 92 12.726 4.858 6.205 1.00 0.00 N ATOM 1431 CA ALA A 92 11.311 4.518 6.109 1.00 0.00 C ATOM 1432 C ALA A 92 10.571 5.501 5.208 1.00 0.00 C ATOM 1433 O ALA A 92 11.047 6.608 4.957 1.00 0.00 O ATOM 1434 CB ALA A 92 10.680 4.490 7.493 1.00 0.00 C ATOM 0 H ALA A 92 12.911 5.820 6.490 1.00 0.00 H new ATOM 0 HA ALA A 92 11.230 3.526 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.624 4.235 7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.184 3.744 8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.779 5.471 7.958 1.00 0.00 H new ATOM 1440 N SER A 93 9.405 5.088 4.722 1.00 0.00 N ATOM 1441 CA SER A 93 8.601 5.931 3.845 1.00 0.00 C ATOM 1442 C SER A 93 7.166 6.032 4.354 1.00 0.00 C ATOM 1443 O SER A 93 6.649 5.104 4.975 1.00 0.00 O ATOM 1444 CB SER A 93 8.610 5.375 2.420 1.00 0.00 C ATOM 1445 OG SER A 93 9.935 5.177 1.958 1.00 0.00 O ATOM 0 H SER A 93 8.996 4.175 4.921 1.00 0.00 H new ATOM 0 HA SER A 93 9.038 6.930 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.067 4.431 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.089 6.063 1.755 1.00 0.00 H new ATOM 0 HG SER A 93 9.963 5.291 0.985 1.00 0.00 H new ATOM 1451 N MET A 94 6.528 7.167 4.086 1.00 0.00 N ATOM 1452 CA MET A 94 5.153 7.390 4.515 1.00 0.00 C ATOM 1453 C MET A 94 4.292 7.876 3.353 1.00 0.00 C ATOM 1454 O MET A 94 4.699 8.756 2.593 1.00 0.00 O ATOM 1455 CB MET A 94 5.111 8.408 5.657 1.00 0.00 C ATOM 1456 CG MET A 94 3.827 8.358 6.469 1.00 0.00 C ATOM 1457 SD MET A 94 3.424 9.942 7.229 1.00 0.00 S ATOM 1458 CE MET A 94 2.674 10.800 5.847 1.00 0.00 C ATOM 0 H MET A 94 6.942 7.946 3.574 1.00 0.00 H new ATOM 0 HA MET A 94 4.751 6.441 4.869 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.958 8.233 6.320 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.232 9.410 5.244 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.005 8.050 5.823 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.923 7.600 7.247 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.371 11.799 6.160 1.00 0.00 H new ATOM 0 HE2 MET A 94 3.395 10.878 5.033 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.800 10.246 5.506 1.00 0.00 H new ATOM 1468 N CYS A 95 3.104 7.298 3.221 1.00 0.00 N ATOM 1469 CA CYS A 95 2.187 7.673 2.150 1.00 0.00 C ATOM 1470 C CYS A 95 0.747 7.336 2.525 1.00 0.00 C ATOM 1471 O CYS A 95 0.494 6.392 3.274 1.00 0.00 O ATOM 1472 CB CYS A 95 2.568 6.960 0.852 1.00 0.00 C ATOM 1473 SG CYS A 95 1.223 6.848 -0.351 1.00 0.00 S ATOM 0 H CYS A 95 2.753 6.568 3.841 1.00 0.00 H new ATOM 0 HA CYS A 95 2.262 8.750 2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.407 7.484 0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.913 5.954 1.090 1.00 0.00 H new ATOM 0 HG CYS A 95 0.750 5.637 -0.361 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.193 8.116 2.001 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.608 7.901 2.280 1.00 0.00 C ATOM 1481 C VAL A 96 -2.350 7.434 1.033 1.00 0.00 C ATOM 1482 O VAL A 96 -1.988 7.791 -0.088 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.276 9.183 2.811 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.714 8.906 3.222 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.481 9.754 3.976 1.00 0.00 C ATOM 0 H VAL A 96 -0.000 8.903 1.381 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.665 7.126 3.045 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.289 9.923 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.169 9.824 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.276 8.546 2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.729 8.149 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.967 10.660 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.435 9.019 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.470 9.993 3.645 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.391 6.633 1.236 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.185 6.115 0.128 1.00 0.00 C ATOM 1497 C PHE A 97 -5.662 6.450 0.314 1.00 0.00 C ATOM 1498 O PHE A 97 -6.255 6.135 1.346 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.005 4.601 0.007 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.758 4.202 -0.729 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.529 4.205 -0.090 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.815 3.824 -2.061 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.380 3.840 -0.766 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.669 3.457 -2.742 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.450 3.464 -2.093 1.00 0.00 C ATOM 0 H PHE A 97 -3.704 6.329 2.158 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.836 6.589 -0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.983 4.165 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.870 4.180 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.468 4.496 0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.766 3.816 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.572 3.849 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.727 3.165 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.446 3.176 -2.622 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.249 7.091 -0.691 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.655 7.470 -0.639 1.00 0.00 C ATOM 1517 C ARG A 98 -8.406 6.946 -1.859 1.00 0.00 C ATOM 1518 O ARG A 98 -7.796 6.527 -2.843 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.793 8.992 -0.557 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.467 9.704 -1.859 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.759 11.193 -1.768 1.00 0.00 C ATOM 1522 NE ARG A 98 -9.148 11.500 -2.102 1.00 0.00 N ATOM 1523 CZ ARG A 98 -10.133 11.510 -1.211 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -9.883 11.231 0.061 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -11.371 11.799 -1.592 1.00 0.00 N ATOM 0 H ARG A 98 -5.772 7.359 -1.552 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.092 7.023 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.813 9.241 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.134 9.366 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.416 9.553 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.050 9.267 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.543 11.544 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.096 11.734 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.374 11.719 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.933 11.008 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.641 11.239 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.567 12.014 -2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.127 11.806 -0.907 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.733 6.973 -1.788 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.567 6.501 -2.887 1.00 0.00 C ATOM 1541 C HIS A 99 -10.756 7.594 -3.935 1.00 0.00 C ATOM 1542 O HIS A 99 -10.893 8.771 -3.601 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.928 6.042 -2.362 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.771 5.362 -3.397 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.413 6.043 -4.410 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.076 4.055 -3.572 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.076 5.184 -5.163 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -13.888 3.970 -4.676 1.00 0.00 N ATOM 0 H HIS A 99 -10.254 7.317 -0.981 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.062 5.656 -3.356 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.774 5.360 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.469 6.905 -1.975 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.743 3.232 -2.957 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.671 5.432 -6.030 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.282 3.110 -5.058 1.00 0.00 H new