USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=22 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 43 LYS NZ :NH3+ 155:sc= 0.0201 (180deg=0) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.17 K(o=-0.15,f=-0.93) USER MOD Set 2.1: A 85 LYS NZ :NH3+ -148:sc= 0 (180deg=0) USER MOD Set 2.2: A 94 MET CE :methyl 137:sc= -0.648 (180deg=-2.95!) USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 31:sc= 0.126 USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= 1.49 (180deg=0.0435) USER MOD Single : A 21 SER OG : rot 32:sc= 0.376 USER MOD Single : A 26 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc=-0.000483 USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= -0.0257 (180deg=-0.27) USER MOD Single : A 35 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.38) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-1.5!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0706 USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= -2.16 (180deg=-4.55!) USER MOD Single : A 63 THR OG1 : rot 28:sc= 0.177 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot -67:sc= 0.811 USER MOD Single : A 74 MET CE :methyl -120:sc= -1.39 (180deg=-3.59!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 71:sc= -2.24 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -98:sc= -0.748 USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.357 6.781 11.085 1.00 0.00 N ATOM 169 CA THR A 15 -8.128 6.722 10.305 1.00 0.00 C ATOM 170 C THR A 15 -7.294 5.504 10.685 1.00 0.00 C ATOM 171 O THR A 15 -6.885 5.352 11.837 1.00 0.00 O ATOM 172 CB THR A 15 -7.278 7.992 10.499 1.00 0.00 C ATOM 173 OG1 THR A 15 -8.067 9.156 10.228 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.062 7.974 9.585 1.00 0.00 C ATOM 0 HA THR A 15 -8.422 6.646 9.258 1.00 0.00 H new ATOM 0 HB THR A 15 -6.935 8.018 11.533 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.002 8.979 10.463 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.477 8.881 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.448 7.103 9.813 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.388 7.926 8.546 1.00 0.00 H new ATOM 182 N LYS A 16 -7.044 4.636 9.710 1.00 0.00 N ATOM 183 CA LYS A 16 -6.256 3.431 9.941 1.00 0.00 C ATOM 184 C LYS A 16 -4.779 3.684 9.659 1.00 0.00 C ATOM 185 O LYS A 16 -4.432 4.514 8.820 1.00 0.00 O ATOM 186 CB LYS A 16 -6.766 2.288 9.061 1.00 0.00 C ATOM 187 CG LYS A 16 -8.260 2.046 9.183 1.00 0.00 C ATOM 188 CD LYS A 16 -8.613 1.397 10.511 1.00 0.00 C ATOM 189 CE LYS A 16 -10.111 1.437 10.770 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.863 0.585 9.808 1.00 0.00 N ATOM 0 H LYS A 16 -7.376 4.745 8.752 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.364 3.151 10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.526 2.507 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.236 1.373 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.792 2.993 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.594 1.408 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.270 0.363 10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.089 1.909 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.313 1.101 11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.465 2.465 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.568 1.164 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.202 0.174 9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.345 -0.179 10.324 1.00 0.00 H new ATOM 204 N GLU A 17 -3.914 2.962 10.365 1.00 0.00 N ATOM 205 CA GLU A 17 -2.474 3.110 10.189 1.00 0.00 C ATOM 206 C GLU A 17 -1.812 1.753 9.962 1.00 0.00 C ATOM 207 O GLU A 17 -2.019 0.812 10.729 1.00 0.00 O ATOM 208 CB GLU A 17 -1.855 3.793 11.410 1.00 0.00 C ATOM 209 CG GLU A 17 -2.194 5.270 11.518 1.00 0.00 C ATOM 210 CD GLU A 17 -2.001 5.812 12.921 1.00 0.00 C ATOM 211 OE1 GLU A 17 -1.215 5.213 13.685 1.00 0.00 O ATOM 212 OE2 GLU A 17 -2.634 6.835 13.255 1.00 0.00 O ATOM 0 H GLU A 17 -4.185 2.270 11.063 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.304 3.731 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.195 3.284 12.312 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.772 3.680 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.569 5.834 10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.229 5.425 11.212 1.00 0.00 H new ATOM 219 N LEU A 18 -1.016 1.660 8.903 1.00 0.00 N ATOM 220 CA LEU A 18 -0.323 0.420 8.573 1.00 0.00 C ATOM 221 C LEU A 18 1.188 0.596 8.676 1.00 0.00 C ATOM 222 O LEU A 18 1.753 1.542 8.127 1.00 0.00 O ATOM 223 CB LEU A 18 -0.700 -0.038 7.162 1.00 0.00 C ATOM 224 CG LEU A 18 -0.675 -1.547 6.918 1.00 0.00 C ATOM 225 CD1 LEU A 18 -1.820 -2.226 7.653 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.743 -1.847 5.427 1.00 0.00 C ATOM 0 H LEU A 18 -0.834 2.429 8.258 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.631 -0.341 9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.701 0.330 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.020 0.436 6.454 1.00 0.00 H new ATOM 0 HG LEU A 18 0.264 -1.943 7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.786 -3.300 7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.727 -2.040 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.769 -1.826 7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.724 -2.926 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.665 -1.437 5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.112 -1.393 4.925 1.00 0.00 H new ATOM 238 N VAL A 19 1.839 -0.324 9.381 1.00 0.00 N ATOM 239 CA VAL A 19 3.286 -0.272 9.554 1.00 0.00 C ATOM 240 C VAL A 19 3.910 -1.653 9.382 1.00 0.00 C ATOM 241 O VAL A 19 3.446 -2.632 9.967 1.00 0.00 O ATOM 242 CB VAL A 19 3.667 0.283 10.939 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.178 0.405 11.069 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.993 1.625 11.179 1.00 0.00 C ATOM 0 H VAL A 19 1.387 -1.114 9.841 1.00 0.00 H new ATOM 0 HA VAL A 19 3.673 0.397 8.785 1.00 0.00 H new ATOM 0 HB VAL A 19 3.316 -0.415 11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.428 0.799 12.054 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.634 -0.577 10.944 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.556 1.081 10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.273 2.002 12.162 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.311 2.334 10.414 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.911 1.502 11.133 1.00 0.00 H new ATOM 254 N PHE A 20 4.964 -1.724 8.577 1.00 0.00 N ATOM 255 CA PHE A 20 5.652 -2.985 8.327 1.00 0.00 C ATOM 256 C PHE A 20 7.034 -2.742 7.728 1.00 0.00 C ATOM 257 O PHE A 20 7.380 -1.614 7.377 1.00 0.00 O ATOM 258 CB PHE A 20 4.824 -3.865 7.389 1.00 0.00 C ATOM 259 CG PHE A 20 4.346 -3.147 6.160 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.115 -3.131 5.007 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.128 -2.486 6.157 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.678 -2.471 3.874 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.686 -1.825 5.026 1.00 0.00 C ATOM 264 CZ PHE A 20 3.462 -1.816 3.884 1.00 0.00 C ATOM 0 H PHE A 20 5.361 -0.923 8.086 1.00 0.00 H new ATOM 0 HA PHE A 20 5.775 -3.498 9.281 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.422 -4.725 7.088 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.962 -4.251 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.067 -3.640 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.517 -2.487 7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.287 -2.467 2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.734 -1.316 5.036 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.119 -1.298 3.001 1.00 0.00 H new ATOM 274 N SER A 21 7.819 -3.808 7.614 1.00 0.00 N ATOM 275 CA SER A 21 9.165 -3.711 7.061 1.00 0.00 C ATOM 276 C SER A 21 9.142 -3.875 5.544 1.00 0.00 C ATOM 277 O SER A 21 8.207 -4.447 4.984 1.00 0.00 O ATOM 278 CB SER A 21 10.074 -4.771 7.686 1.00 0.00 C ATOM 279 OG SER A 21 11.434 -4.527 7.371 1.00 0.00 O ATOM 0 H SER A 21 7.546 -4.749 7.897 1.00 0.00 H new ATOM 0 HA SER A 21 9.557 -2.722 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.943 -4.774 8.768 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.786 -5.759 7.327 1.00 0.00 H new ATOM 0 HG SER A 21 11.581 -3.562 7.283 1.00 0.00 H new ATOM 285 N SER A 22 10.179 -3.367 4.885 1.00 0.00 N ATOM 286 CA SER A 22 10.277 -3.453 3.433 1.00 0.00 C ATOM 287 C SER A 22 10.661 -4.864 2.996 1.00 0.00 C ATOM 288 O SER A 22 10.523 -5.223 1.828 1.00 0.00 O ATOM 289 CB SER A 22 11.306 -2.448 2.910 1.00 0.00 C ATOM 290 OG SER A 22 12.603 -3.017 2.876 1.00 0.00 O ATOM 0 H SER A 22 10.962 -2.892 5.334 1.00 0.00 H new ATOM 0 HA SER A 22 9.300 -3.215 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.023 -2.120 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.310 -1.563 3.546 1.00 0.00 H new ATOM 0 HG SER A 22 13.242 -2.356 2.537 1.00 0.00 H new ATOM 296 N ASN A 23 11.143 -5.659 3.946 1.00 0.00 N ATOM 297 CA ASN A 23 11.547 -7.031 3.661 1.00 0.00 C ATOM 298 C ASN A 23 10.368 -7.988 3.810 1.00 0.00 C ATOM 299 O ASN A 23 10.522 -9.105 4.307 1.00 0.00 O ATOM 300 CB ASN A 23 12.684 -7.454 4.594 1.00 0.00 C ATOM 301 CG ASN A 23 14.049 -7.082 4.048 1.00 0.00 C ATOM 302 OD1 ASN A 23 14.387 -5.903 3.944 1.00 0.00 O ATOM 303 ND2 ASN A 23 14.840 -8.089 3.697 1.00 0.00 N ATOM 0 H ASN A 23 11.263 -5.377 4.919 1.00 0.00 H new ATOM 0 HA ASN A 23 11.897 -7.073 2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.545 -6.984 5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.640 -8.532 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.770 -7.901 3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.517 -9.051 3.801 1.00 0.00 H new ATOM 310 N ILE A 24 9.194 -7.543 3.377 1.00 0.00 N ATOM 311 CA ILE A 24 7.990 -8.360 3.461 1.00 0.00 C ATOM 312 C ILE A 24 7.811 -9.206 2.205 1.00 0.00 C ATOM 313 O ILE A 24 7.967 -8.717 1.087 1.00 0.00 O ATOM 314 CB ILE A 24 6.734 -7.493 3.666 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.495 -8.378 3.819 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.561 -6.528 2.502 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.293 -7.646 4.373 1.00 0.00 C ATOM 0 H ILE A 24 9.051 -6.621 2.964 1.00 0.00 H new ATOM 0 HA ILE A 24 8.113 -9.015 4.323 1.00 0.00 H new ATOM 0 HB ILE A 24 6.857 -6.912 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.237 -8.799 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.735 -9.214 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.669 -5.922 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.434 -5.878 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.456 -7.091 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.453 -8.335 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.532 -7.248 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.027 -6.826 3.706 1.00 0.00 H new ATOM 329 N GLY A 25 7.480 -10.480 2.398 1.00 0.00 N ATOM 330 CA GLY A 25 7.283 -11.374 1.272 1.00 0.00 C ATOM 331 C GLY A 25 5.955 -11.147 0.577 1.00 0.00 C ATOM 332 O GLY A 25 5.066 -10.494 1.123 1.00 0.00 O ATOM 0 H GLY A 25 7.345 -10.908 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.093 -11.235 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.337 -12.406 1.618 1.00 0.00 H new ATOM 336 N GLN A 26 5.820 -11.687 -0.630 1.00 0.00 N ATOM 337 CA GLN A 26 4.592 -11.538 -1.400 1.00 0.00 C ATOM 338 C GLN A 26 3.423 -12.222 -0.699 1.00 0.00 C ATOM 339 O GLN A 26 2.282 -11.765 -0.781 1.00 0.00 O ATOM 340 CB GLN A 26 4.771 -12.120 -2.803 1.00 0.00 C ATOM 341 CG GLN A 26 3.635 -11.776 -3.754 1.00 0.00 C ATOM 342 CD GLN A 26 3.517 -10.286 -4.007 1.00 0.00 C ATOM 343 OE1 GLN A 26 2.508 -9.666 -3.671 1.00 0.00 O ATOM 344 NE2 GLN A 26 4.550 -9.703 -4.604 1.00 0.00 N ATOM 0 H GLN A 26 6.546 -12.232 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 26 4.371 -10.474 -1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.708 -11.754 -3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.857 -13.204 -2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.792 -12.290 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.696 -12.146 -3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.367 -10.256 -4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.527 -8.703 -4.801 1.00 0.00 H new ATOM 353 N HIS A 27 3.714 -13.321 -0.009 1.00 0.00 N ATOM 354 CA HIS A 27 2.687 -14.069 0.707 1.00 0.00 C ATOM 355 C HIS A 27 2.067 -13.218 1.812 1.00 0.00 C ATOM 356 O HIS A 27 0.862 -13.285 2.058 1.00 0.00 O ATOM 357 CB HIS A 27 3.278 -15.347 1.303 1.00 0.00 C ATOM 358 CG HIS A 27 3.747 -16.327 0.272 1.00 0.00 C ATOM 359 ND1 HIS A 27 2.997 -17.412 -0.131 1.00 0.00 N ATOM 360 CD2 HIS A 27 4.896 -16.380 -0.441 1.00 0.00 C ATOM 361 CE1 HIS A 27 3.666 -18.091 -1.046 1.00 0.00 C ATOM 362 NE2 HIS A 27 4.821 -17.485 -1.252 1.00 0.00 N ATOM 0 H HIS A 27 4.653 -13.713 0.069 1.00 0.00 H new ATOM 0 HA HIS A 27 1.905 -14.337 -0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.115 -15.083 1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.528 -15.825 1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.719 -15.683 -0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.326 -18.989 -1.541 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.541 -17.789 -1.908 1.00 0.00 H new ATOM 371 N ASP A 28 2.897 -12.420 2.474 1.00 0.00 N ATOM 372 CA ASP A 28 2.431 -11.557 3.553 1.00 0.00 C ATOM 373 C ASP A 28 1.862 -10.254 2.998 1.00 0.00 C ATOM 374 O ASP A 28 0.765 -9.835 3.369 1.00 0.00 O ATOM 375 CB ASP A 28 3.572 -11.256 4.525 1.00 0.00 C ATOM 376 CG ASP A 28 3.078 -10.974 5.930 1.00 0.00 C ATOM 377 OD1 ASP A 28 2.159 -11.685 6.389 1.00 0.00 O ATOM 378 OD2 ASP A 28 3.608 -10.042 6.570 1.00 0.00 O ATOM 0 H ASP A 28 3.897 -12.353 2.282 1.00 0.00 H new ATOM 0 HA ASP A 28 1.639 -12.081 4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.259 -12.102 4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.137 -10.397 4.163 1.00 0.00 H new ATOM 383 N LEU A 29 2.617 -9.616 2.110 1.00 0.00 N ATOM 384 CA LEU A 29 2.189 -8.360 1.504 1.00 0.00 C ATOM 385 C LEU A 29 0.801 -8.498 0.887 1.00 0.00 C ATOM 386 O LEU A 29 0.037 -7.534 0.831 1.00 0.00 O ATOM 387 CB LEU A 29 3.193 -7.917 0.438 1.00 0.00 C ATOM 388 CG LEU A 29 2.969 -6.527 -0.158 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.477 -5.452 0.789 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.651 -6.412 -1.514 1.00 0.00 C ATOM 0 H LEU A 29 3.528 -9.948 1.794 1.00 0.00 H new ATOM 0 HA LEU A 29 2.144 -7.604 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.192 -7.947 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.177 -8.645 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 29 1.898 -6.381 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.309 -4.470 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.943 -5.520 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.544 -5.594 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.481 -5.416 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.722 -6.579 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.239 -7.159 -2.193 1.00 0.00 H new ATOM 402 N ASP A 30 0.481 -9.702 0.426 1.00 0.00 N ATOM 403 CA ASP A 30 -0.816 -9.967 -0.185 1.00 0.00 C ATOM 404 C ASP A 30 -1.950 -9.537 0.740 1.00 0.00 C ATOM 405 O ASP A 30 -2.933 -8.939 0.300 1.00 0.00 O ATOM 406 CB ASP A 30 -0.951 -11.453 -0.522 1.00 0.00 C ATOM 407 CG ASP A 30 -2.199 -11.752 -1.328 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.223 -11.419 -2.532 1.00 0.00 O ATOM 409 OD2 ASP A 30 -3.152 -12.321 -0.756 1.00 0.00 O ATOM 0 H ASP A 30 1.102 -10.510 0.464 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.882 -9.387 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.074 -11.777 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.971 -12.032 0.401 1.00 0.00 H new ATOM 414 N THR A 31 -1.808 -9.847 2.025 1.00 0.00 N ATOM 415 CA THR A 31 -2.821 -9.495 3.013 1.00 0.00 C ATOM 416 C THR A 31 -2.919 -7.983 3.185 1.00 0.00 C ATOM 417 O THR A 31 -4.008 -7.437 3.363 1.00 0.00 O ATOM 418 CB THR A 31 -2.521 -10.138 4.379 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.327 -11.549 4.225 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.656 -9.881 5.360 1.00 0.00 C ATOM 0 H THR A 31 -1.001 -10.341 2.406 1.00 0.00 H new ATOM 0 HA THR A 31 -3.772 -9.878 2.641 1.00 0.00 H new ATOM 0 HB THR A 31 -1.611 -9.688 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.135 -11.950 5.098 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.421 -10.345 6.318 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.781 -8.807 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.580 -10.307 4.968 1.00 0.00 H new ATOM 428 N LYS A 32 -1.774 -7.311 3.132 1.00 0.00 N ATOM 429 CA LYS A 32 -1.729 -5.862 3.281 1.00 0.00 C ATOM 430 C LYS A 32 -2.634 -5.182 2.259 1.00 0.00 C ATOM 431 O LYS A 32 -3.406 -4.285 2.599 1.00 0.00 O ATOM 432 CB LYS A 32 -0.293 -5.356 3.123 1.00 0.00 C ATOM 433 CG LYS A 32 0.689 -6.005 4.081 1.00 0.00 C ATOM 434 CD LYS A 32 0.787 -5.235 5.388 1.00 0.00 C ATOM 435 CE LYS A 32 1.796 -5.867 6.334 1.00 0.00 C ATOM 436 NZ LYS A 32 1.527 -5.506 7.753 1.00 0.00 N ATOM 0 H LYS A 32 -0.864 -7.748 2.987 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.087 -5.613 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.037 -5.537 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.278 -4.277 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.377 -7.030 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.673 -6.058 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.075 -4.204 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.192 -5.203 5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.768 -6.951 6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.801 -5.545 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.236 -5.956 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.579 -4.473 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.578 -5.836 8.021 1.00 0.00 H new ATOM 450 N SER A 33 -2.535 -5.615 1.006 1.00 0.00 N ATOM 451 CA SER A 33 -3.344 -5.047 -0.066 1.00 0.00 C ATOM 452 C SER A 33 -4.831 -5.207 0.232 1.00 0.00 C ATOM 453 O SER A 33 -5.606 -4.256 0.121 1.00 0.00 O ATOM 454 CB SER A 33 -3.004 -5.715 -1.399 1.00 0.00 C ATOM 455 OG SER A 33 -1.704 -5.354 -1.834 1.00 0.00 O ATOM 0 H SER A 33 -1.902 -6.358 0.708 1.00 0.00 H new ATOM 0 HA SER A 33 -3.118 -3.983 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.068 -6.798 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.737 -5.425 -2.152 1.00 0.00 H new ATOM 0 HG SER A 33 -1.510 -5.795 -2.687 1.00 0.00 H new ATOM 461 N LYS A 34 -5.225 -6.418 0.611 1.00 0.00 N ATOM 462 CA LYS A 34 -6.619 -6.707 0.927 1.00 0.00 C ATOM 463 C LYS A 34 -7.088 -5.883 2.122 1.00 0.00 C ATOM 464 O LYS A 34 -8.177 -5.312 2.104 1.00 0.00 O ATOM 465 CB LYS A 34 -6.799 -8.198 1.220 1.00 0.00 C ATOM 466 CG LYS A 34 -6.470 -9.094 0.038 1.00 0.00 C ATOM 467 CD LYS A 34 -5.951 -10.448 0.492 1.00 0.00 C ATOM 468 CE LYS A 34 -7.089 -11.376 0.890 1.00 0.00 C ATOM 469 NZ LYS A 34 -7.896 -11.800 -0.287 1.00 0.00 N ATOM 0 H LYS A 34 -4.597 -7.216 0.707 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.225 -6.438 0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.164 -8.474 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.830 -8.378 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.361 -9.232 -0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.723 -8.609 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.371 -10.904 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.276 -10.315 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.683 -12.256 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.734 -10.872 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.425 -12.664 -0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.563 -11.044 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.264 -11.989 -1.091 1.00 0.00 H new ATOM 483 N GLN A 35 -6.257 -5.826 3.158 1.00 0.00 N ATOM 484 CA GLN A 35 -6.587 -5.071 4.361 1.00 0.00 C ATOM 485 C GLN A 35 -6.885 -3.613 4.024 1.00 0.00 C ATOM 486 O GLN A 35 -7.924 -3.077 4.410 1.00 0.00 O ATOM 487 CB GLN A 35 -5.440 -5.149 5.369 1.00 0.00 C ATOM 488 CG GLN A 35 -5.540 -6.336 6.314 1.00 0.00 C ATOM 489 CD GLN A 35 -6.861 -6.380 7.057 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.188 -5.471 7.820 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.629 -7.441 6.837 1.00 0.00 N ATOM 0 H GLN A 35 -5.351 -6.293 3.188 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.480 -5.513 4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.495 -5.204 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.419 -4.230 5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.415 -7.259 5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.723 -6.292 7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.319 -8.171 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.529 -7.526 7.309 1.00 0.00 H new ATOM 500 N ILE A 36 -5.967 -2.978 3.303 1.00 0.00 N ATOM 501 CA ILE A 36 -6.132 -1.583 2.915 1.00 0.00 C ATOM 502 C ILE A 36 -7.324 -1.411 1.978 1.00 0.00 C ATOM 503 O ILE A 36 -8.161 -0.531 2.180 1.00 0.00 O ATOM 504 CB ILE A 36 -4.868 -1.038 2.224 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.641 -1.260 3.110 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.036 0.440 1.903 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.328 -1.073 2.382 1.00 0.00 C ATOM 0 H ILE A 36 -5.102 -3.407 2.976 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.308 -1.019 3.831 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.720 -1.579 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.682 -0.570 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.678 -2.268 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.135 0.811 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.890 0.573 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.204 0.996 2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.502 -1.246 3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.266 -1.782 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.269 -0.056 1.993 1.00 0.00 H new ATOM 519 N GLN A 37 -7.393 -2.258 0.956 1.00 0.00 N ATOM 520 CA GLN A 37 -8.483 -2.199 -0.010 1.00 0.00 C ATOM 521 C GLN A 37 -9.832 -2.098 0.695 1.00 0.00 C ATOM 522 O GLN A 37 -10.692 -1.313 0.298 1.00 0.00 O ATOM 523 CB GLN A 37 -8.459 -3.433 -0.914 1.00 0.00 C ATOM 524 CG GLN A 37 -9.005 -3.177 -2.309 1.00 0.00 C ATOM 525 CD GLN A 37 -8.851 -4.375 -3.225 1.00 0.00 C ATOM 526 OE1 GLN A 37 -8.249 -5.382 -2.853 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.396 -4.272 -4.431 1.00 0.00 N ATOM 0 H GLN A 37 -6.708 -2.992 0.776 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.345 -1.307 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.434 -3.794 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.040 -4.227 -0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.060 -2.911 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.489 -2.322 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.886 -3.418 -4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.325 -5.047 -5.091 1.00 0.00 H new ATOM 536 N GLN A 38 -10.008 -2.897 1.742 1.00 0.00 N ATOM 537 CA GLN A 38 -11.252 -2.897 2.502 1.00 0.00 C ATOM 538 C GLN A 38 -11.486 -1.544 3.165 1.00 0.00 C ATOM 539 O GLN A 38 -12.612 -1.050 3.210 1.00 0.00 O ATOM 540 CB GLN A 38 -11.228 -4.000 3.562 1.00 0.00 C ATOM 541 CG GLN A 38 -11.561 -5.378 3.014 1.00 0.00 C ATOM 542 CD GLN A 38 -13.048 -5.674 3.045 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.669 -5.901 2.006 1.00 0.00 O ATOM 544 NE2 GLN A 38 -13.627 -5.673 4.239 1.00 0.00 N ATOM 0 H GLN A 38 -9.305 -3.553 2.083 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.071 -3.087 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.240 -4.030 4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.938 -3.750 4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.200 -5.454 1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.032 -6.134 3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.074 -5.480 5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.625 -5.866 4.322 1.00 0.00 H new ATOM 553 N TRP A 39 -10.414 -0.949 3.678 1.00 0.00 N ATOM 554 CA TRP A 39 -10.503 0.348 4.339 1.00 0.00 C ATOM 555 C TRP A 39 -10.899 1.438 3.349 1.00 0.00 C ATOM 556 O TRP A 39 -11.791 2.241 3.621 1.00 0.00 O ATOM 557 CB TRP A 39 -9.168 0.700 4.997 1.00 0.00 C ATOM 558 CG TRP A 39 -8.880 -0.108 6.226 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.794 -0.626 7.099 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.591 -0.489 6.719 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.151 -1.306 8.105 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.799 -1.238 7.894 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.282 -0.273 6.281 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.746 -1.768 8.635 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.238 -0.800 7.017 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.474 -1.540 8.183 1.00 0.00 C ATOM 0 H TRP A 39 -9.474 -1.344 3.649 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.274 0.284 5.107 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.365 0.550 4.276 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.168 1.758 5.258 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.865 -0.517 7.011 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.606 -1.784 8.883 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.090 0.296 5.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.926 -2.339 9.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.222 -0.639 6.688 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.636 -1.938 8.736 1.00 0.00 H new ATOM 577 N ILE A 40 -10.231 1.459 2.201 1.00 0.00 N ATOM 578 CA ILE A 40 -10.515 2.450 1.170 1.00 0.00 C ATOM 579 C ILE A 40 -12.002 2.482 0.834 1.00 0.00 C ATOM 580 O ILE A 40 -12.621 3.545 0.816 1.00 0.00 O ATOM 581 CB ILE A 40 -9.715 2.170 -0.116 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.214 2.295 0.154 1.00 0.00 C ATOM 583 CG2 ILE A 40 -10.140 3.123 -1.222 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.734 3.726 0.251 1.00 0.00 C ATOM 0 H ILE A 40 -9.489 0.801 1.961 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.214 3.418 1.571 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.923 1.151 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.976 1.777 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.667 1.790 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.566 2.913 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.202 2.990 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.957 4.150 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.661 3.738 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.940 4.243 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.254 4.230 1.066 1.00 0.00 H new ATOM 596 N GLU A 41 -12.568 1.309 0.568 1.00 0.00 N ATOM 597 CA GLU A 41 -13.984 1.204 0.233 1.00 0.00 C ATOM 598 C GLU A 41 -14.828 2.076 1.158 1.00 0.00 C ATOM 599 O GLU A 41 -15.806 2.689 0.731 1.00 0.00 O ATOM 600 CB GLU A 41 -14.445 -0.252 0.325 1.00 0.00 C ATOM 601 CG GLU A 41 -14.204 -1.048 -0.946 1.00 0.00 C ATOM 602 CD GLU A 41 -15.178 -0.692 -2.052 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.390 0.516 -2.288 1.00 0.00 O ATOM 604 OE2 GLU A 41 -15.728 -1.619 -2.681 1.00 0.00 O ATOM 0 H GLU A 41 -12.069 0.419 0.578 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.117 1.556 -0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.926 -0.737 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.509 -0.273 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.186 -0.871 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.285 -2.112 -0.724 1.00 0.00 H new ATOM 611 N LYS A 42 -14.444 2.125 2.429 1.00 0.00 N ATOM 612 CA LYS A 42 -15.163 2.921 3.416 1.00 0.00 C ATOM 613 C LYS A 42 -14.495 4.279 3.611 1.00 0.00 C ATOM 614 O LYS A 42 -14.478 4.821 4.717 1.00 0.00 O ATOM 615 CB LYS A 42 -15.229 2.177 4.752 1.00 0.00 C ATOM 616 CG LYS A 42 -16.266 1.067 4.779 1.00 0.00 C ATOM 617 CD LYS A 42 -16.377 0.441 6.159 1.00 0.00 C ATOM 618 CE LYS A 42 -17.483 -0.601 6.211 1.00 0.00 C ATOM 619 NZ LYS A 42 -17.389 -1.449 7.431 1.00 0.00 N ATOM 0 H LYS A 42 -13.638 1.622 2.800 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.176 3.083 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.249 1.753 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.452 2.891 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.235 1.466 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.999 0.301 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.427 -0.021 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.573 1.218 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.452 -0.103 6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.429 -1.233 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.160 -2.147 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.474 -1.944 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.466 -0.850 8.277 1.00 0.00 H new ATOM 633 N LYS A 43 -13.947 4.824 2.531 1.00 0.00 N ATOM 634 CA LYS A 43 -13.281 6.120 2.582 1.00 0.00 C ATOM 635 C LYS A 43 -12.494 6.277 3.879 1.00 0.00 C ATOM 636 O LYS A 43 -12.630 7.278 4.582 1.00 0.00 O ATOM 637 CB LYS A 43 -14.306 7.249 2.455 1.00 0.00 C ATOM 638 CG LYS A 43 -15.167 7.152 1.207 1.00 0.00 C ATOM 639 CD LYS A 43 -14.453 7.718 -0.008 1.00 0.00 C ATOM 640 CE LYS A 43 -15.440 8.234 -1.045 1.00 0.00 C ATOM 641 NZ LYS A 43 -16.062 7.123 -1.818 1.00 0.00 N ATOM 0 H LYS A 43 -13.951 4.388 1.609 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.584 6.175 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.952 7.242 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.782 8.205 2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.428 6.110 1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.101 7.691 1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.792 8.528 0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.825 6.947 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.219 8.812 -0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.928 8.911 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.985 7.431 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.442 6.862 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.195 6.300 -1.197 1.00 0.00 H new ATOM 655 N TYR A 44 -11.670 5.282 4.189 1.00 0.00 N ATOM 656 CA TYR A 44 -10.861 5.310 5.402 1.00 0.00 C ATOM 657 C TYR A 44 -9.399 5.596 5.077 1.00 0.00 C ATOM 658 O TYR A 44 -8.708 4.766 4.484 1.00 0.00 O ATOM 659 CB TYR A 44 -10.978 3.980 6.148 1.00 0.00 C ATOM 660 CG TYR A 44 -12.254 3.844 6.948 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.703 4.881 7.757 1.00 0.00 C ATOM 662 CD2 TYR A 44 -13.010 2.679 6.896 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.868 4.761 8.490 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.177 2.552 7.624 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.602 3.595 8.420 1.00 0.00 C ATOM 666 OH TYR A 44 -15.763 3.471 9.148 1.00 0.00 O ATOM 0 H TYR A 44 -11.545 4.447 3.617 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.235 6.111 6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.922 3.163 5.428 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.126 3.873 6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.132 5.796 7.814 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.679 1.859 6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.202 5.576 9.115 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.754 1.640 7.570 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.159 2.589 8.985 1.00 0.00 H new ATOM 676 N HIS A 45 -8.932 6.777 5.469 1.00 0.00 N ATOM 677 CA HIS A 45 -7.550 7.174 5.221 1.00 0.00 C ATOM 678 C HIS A 45 -6.578 6.166 5.825 1.00 0.00 C ATOM 679 O HIS A 45 -6.587 5.926 7.033 1.00 0.00 O ATOM 680 CB HIS A 45 -7.286 8.565 5.798 1.00 0.00 C ATOM 681 CG HIS A 45 -7.688 9.680 4.883 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.857 10.192 3.910 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.843 10.381 4.796 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.482 11.161 3.265 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.690 11.295 3.783 1.00 0.00 N ATOM 0 H HIS A 45 -9.490 7.476 5.960 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.393 7.201 4.143 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.825 8.667 6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.224 8.659 6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.722 10.246 5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.075 11.744 2.452 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.394 11.968 3.480 1.00 0.00 H new ATOM 694 N VAL A 46 -5.740 5.577 4.977 1.00 0.00 N ATOM 695 CA VAL A 46 -4.762 4.595 5.428 1.00 0.00 C ATOM 696 C VAL A 46 -3.347 5.159 5.364 1.00 0.00 C ATOM 697 O VAL A 46 -2.841 5.469 4.286 1.00 0.00 O ATOM 698 CB VAL A 46 -4.828 3.308 4.584 1.00 0.00 C ATOM 699 CG1 VAL A 46 -3.952 2.224 5.193 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.267 2.832 4.451 1.00 0.00 C ATOM 0 H VAL A 46 -5.719 5.763 3.974 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.008 4.355 6.462 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.449 3.528 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.012 1.323 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.919 2.569 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.297 2.002 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.295 1.922 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.676 2.628 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.862 3.605 3.965 1.00 0.00 H new ATOM 710 N GLN A 47 -2.715 5.290 6.526 1.00 0.00 N ATOM 711 CA GLN A 47 -1.358 5.817 6.601 1.00 0.00 C ATOM 712 C GLN A 47 -0.337 4.686 6.676 1.00 0.00 C ATOM 713 O GLN A 47 -0.105 4.115 7.741 1.00 0.00 O ATOM 714 CB GLN A 47 -1.211 6.733 7.817 1.00 0.00 C ATOM 715 CG GLN A 47 0.226 7.136 8.106 1.00 0.00 C ATOM 716 CD GLN A 47 0.366 7.911 9.402 1.00 0.00 C ATOM 717 OE1 GLN A 47 0.584 7.330 10.466 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.242 9.230 9.319 1.00 0.00 N ATOM 0 H GLN A 47 -3.121 5.039 7.427 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.169 6.393 5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.807 7.632 7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.621 6.229 8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.848 6.242 8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.602 7.743 7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.062 9.669 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.327 9.804 10.158 1.00 0.00 H new ATOM 727 N VAL A 48 0.270 4.368 5.537 1.00 0.00 N ATOM 728 CA VAL A 48 1.267 3.306 5.473 1.00 0.00 C ATOM 729 C VAL A 48 2.664 3.845 5.760 1.00 0.00 C ATOM 730 O VAL A 48 3.009 4.955 5.355 1.00 0.00 O ATOM 731 CB VAL A 48 1.267 2.618 4.094 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.306 1.509 4.051 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.117 2.077 3.770 1.00 0.00 C ATOM 0 H VAL A 48 0.089 4.831 4.646 1.00 0.00 H new ATOM 0 HA VAL A 48 0.999 2.575 6.236 1.00 0.00 H new ATOM 0 HB VAL A 48 1.529 3.358 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.291 1.035 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.295 1.929 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.078 0.767 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.099 1.594 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.410 1.351 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.834 2.898 3.756 1.00 0.00 H new ATOM 743 N THR A 49 3.466 3.050 6.461 1.00 0.00 N ATOM 744 CA THR A 49 4.826 3.447 6.804 1.00 0.00 C ATOM 745 C THR A 49 5.785 2.267 6.701 1.00 0.00 C ATOM 746 O THR A 49 5.784 1.378 7.553 1.00 0.00 O ATOM 747 CB THR A 49 4.899 4.031 8.227 1.00 0.00 C ATOM 748 OG1 THR A 49 3.940 5.083 8.375 1.00 0.00 O ATOM 749 CG2 THR A 49 6.293 4.564 8.522 1.00 0.00 C ATOM 0 H THR A 49 3.197 2.127 6.802 1.00 0.00 H new ATOM 0 HA THR A 49 5.121 4.215 6.089 1.00 0.00 H new ATOM 0 HB THR A 49 4.674 3.233 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.992 5.448 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.320 4.971 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.018 3.754 8.438 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.541 5.349 7.808 1.00 0.00 H new ATOM 757 N ILE A 50 6.603 2.264 5.654 1.00 0.00 N ATOM 758 CA ILE A 50 7.569 1.194 5.442 1.00 0.00 C ATOM 759 C ILE A 50 8.839 1.430 6.252 1.00 0.00 C ATOM 760 O ILE A 50 9.482 2.473 6.130 1.00 0.00 O ATOM 761 CB ILE A 50 7.941 1.058 3.953 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.715 0.652 3.133 1.00 0.00 C ATOM 763 CG2 ILE A 50 9.061 0.043 3.778 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.831 0.992 1.664 1.00 0.00 C ATOM 0 H ILE A 50 6.616 2.991 4.939 1.00 0.00 H new ATOM 0 HA ILE A 50 7.095 0.271 5.776 1.00 0.00 H new ATOM 0 HB ILE A 50 8.292 2.025 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.557 -0.421 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.834 1.145 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.313 -0.042 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.939 0.370 4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.735 -0.927 4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.926 0.676 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.958 2.068 1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.692 0.477 1.238 1.00 0.00 H new ATOM 776 N LYS A 51 9.197 0.454 7.079 1.00 0.00 N ATOM 777 CA LYS A 51 10.392 0.553 7.908 1.00 0.00 C ATOM 778 C LYS A 51 11.527 -0.287 7.330 1.00 0.00 C ATOM 779 O LYS A 51 11.409 -1.506 7.208 1.00 0.00 O ATOM 780 CB LYS A 51 10.086 0.099 9.337 1.00 0.00 C ATOM 781 CG LYS A 51 8.930 0.848 9.978 1.00 0.00 C ATOM 782 CD LYS A 51 8.936 0.696 11.490 1.00 0.00 C ATOM 783 CE LYS A 51 8.451 -0.682 11.913 1.00 0.00 C ATOM 784 NZ LYS A 51 9.371 -1.760 11.454 1.00 0.00 N ATOM 0 H LYS A 51 8.676 -0.415 7.193 1.00 0.00 H new ATOM 0 HA LYS A 51 10.707 1.597 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.858 -0.967 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.978 0.230 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.991 1.905 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.987 0.475 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.945 0.860 11.869 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.299 1.460 11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.363 -0.718 12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.455 -0.857 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.362 -2.540 12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.058 -2.112 10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.336 -1.381 11.372 1.00 0.00 H new ATOM 978 N THR A 63 12.181 0.602 -2.480 1.00 0.00 N ATOM 979 CA THR A 63 11.158 0.790 -1.459 1.00 0.00 C ATOM 980 C THR A 63 9.910 1.440 -2.045 1.00 0.00 C ATOM 981 O THR A 63 8.789 1.020 -1.761 1.00 0.00 O ATOM 982 CB THR A 63 11.677 1.657 -0.296 1.00 0.00 C ATOM 983 OG1 THR A 63 12.930 1.147 0.174 1.00 0.00 O ATOM 984 CG2 THR A 63 10.674 1.685 0.847 1.00 0.00 C ATOM 0 HA THR A 63 10.905 -0.200 -1.079 1.00 0.00 H new ATOM 0 HB THR A 63 11.814 2.674 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.393 0.690 -0.559 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.062 2.303 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.731 2.101 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.509 0.671 1.212 1.00 0.00 H new ATOM 992 N GLU A 64 10.112 2.467 -2.864 1.00 0.00 N ATOM 993 CA GLU A 64 9.001 3.175 -3.490 1.00 0.00 C ATOM 994 C GLU A 64 8.072 2.201 -4.209 1.00 0.00 C ATOM 995 O GLU A 64 6.851 2.275 -4.070 1.00 0.00 O ATOM 996 CB GLU A 64 9.525 4.221 -4.477 1.00 0.00 C ATOM 997 CG GLU A 64 9.803 5.572 -3.841 1.00 0.00 C ATOM 998 CD GLU A 64 11.224 5.691 -3.323 1.00 0.00 C ATOM 999 OE1 GLU A 64 12.159 5.322 -4.064 1.00 0.00 O ATOM 1000 OE2 GLU A 64 11.400 6.154 -2.177 1.00 0.00 O ATOM 0 H GLU A 64 11.034 2.827 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 64 8.435 3.678 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.441 3.849 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.797 4.349 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.620 6.359 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.106 5.733 -3.019 1.00 0.00 H new ATOM 1007 N GLU A 65 8.659 1.290 -4.979 1.00 0.00 N ATOM 1008 CA GLU A 65 7.884 0.303 -5.721 1.00 0.00 C ATOM 1009 C GLU A 65 6.771 -0.279 -4.853 1.00 0.00 C ATOM 1010 O GLU A 65 5.607 -0.305 -5.253 1.00 0.00 O ATOM 1011 CB GLU A 65 8.793 -0.820 -6.223 1.00 0.00 C ATOM 1012 CG GLU A 65 9.783 -0.372 -7.285 1.00 0.00 C ATOM 1013 CD GLU A 65 10.547 -1.530 -7.897 1.00 0.00 C ATOM 1014 OE1 GLU A 65 9.896 -2.475 -8.390 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.795 -1.492 -7.883 1.00 0.00 O ATOM 0 H GLU A 65 9.668 1.215 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 65 7.431 0.804 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.342 -1.236 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.176 -1.622 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.250 0.162 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.489 0.332 -6.844 1.00 0.00 H new ATOM 1022 N ILE A 66 7.139 -0.745 -3.664 1.00 0.00 N ATOM 1023 CA ILE A 66 6.173 -1.326 -2.740 1.00 0.00 C ATOM 1024 C ILE A 66 4.824 -0.621 -2.839 1.00 0.00 C ATOM 1025 O ILE A 66 3.812 -1.237 -3.174 1.00 0.00 O ATOM 1026 CB ILE A 66 6.672 -1.253 -1.285 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.895 -2.152 -1.097 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.562 -1.652 -0.324 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.546 -3.591 -0.786 1.00 0.00 C ATOM 0 H ILE A 66 8.099 -0.731 -3.318 1.00 0.00 H new ATOM 0 HA ILE A 66 6.055 -2.372 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 66 6.963 -0.225 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.501 -2.121 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.508 -1.753 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.930 -1.595 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.716 -0.975 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.243 -2.672 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.462 -4.170 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.966 -3.634 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.958 -4.008 -1.604 1.00 0.00 H new ATOM 1041 N PHE A 67 4.818 0.676 -2.548 1.00 0.00 N ATOM 1042 CA PHE A 67 3.594 1.466 -2.605 1.00 0.00 C ATOM 1043 C PHE A 67 2.770 1.104 -3.837 1.00 0.00 C ATOM 1044 O PHE A 67 1.557 0.916 -3.753 1.00 0.00 O ATOM 1045 CB PHE A 67 3.926 2.960 -2.621 1.00 0.00 C ATOM 1046 CG PHE A 67 4.565 3.445 -1.351 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.820 3.571 -0.190 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.910 3.775 -1.318 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.405 4.018 0.980 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.501 4.222 -0.152 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.747 4.343 0.999 1.00 0.00 C ATOM 0 H PHE A 67 5.647 1.202 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 67 3.005 1.241 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.594 3.167 -3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.011 3.526 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.770 3.317 -0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.504 3.682 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.813 4.113 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.551 4.476 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.206 4.691 1.912 1.00 0.00 H new ATOM 1061 N ASN A 68 3.438 1.009 -4.982 1.00 0.00 N ATOM 1062 CA ASN A 68 2.769 0.671 -6.233 1.00 0.00 C ATOM 1063 C ASN A 68 2.250 -0.764 -6.202 1.00 0.00 C ATOM 1064 O ASN A 68 1.074 -1.014 -6.461 1.00 0.00 O ATOM 1065 CB ASN A 68 3.724 0.855 -7.413 1.00 0.00 C ATOM 1066 CG ASN A 68 3.916 2.313 -7.781 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.148 2.873 -8.564 1.00 0.00 O ATOM 1068 ND2 ASN A 68 4.943 2.936 -7.215 1.00 0.00 N ATOM 0 H ASN A 68 4.443 1.161 -5.069 1.00 0.00 H new ATOM 0 HA ASN A 68 1.920 1.343 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.690 0.415 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.338 0.313 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.121 3.918 -7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.554 2.432 -6.572 1.00 0.00 H new ATOM 1075 N GLN A 69 3.138 -1.701 -5.883 1.00 0.00 N ATOM 1076 CA GLN A 69 2.770 -3.110 -5.818 1.00 0.00 C ATOM 1077 C GLN A 69 1.430 -3.291 -5.112 1.00 0.00 C ATOM 1078 O GLN A 69 0.699 -4.244 -5.382 1.00 0.00 O ATOM 1079 CB GLN A 69 3.854 -3.909 -5.092 1.00 0.00 C ATOM 1080 CG GLN A 69 5.263 -3.594 -5.567 1.00 0.00 C ATOM 1081 CD GLN A 69 6.229 -4.736 -5.327 1.00 0.00 C ATOM 1082 OE1 GLN A 69 6.293 -5.290 -4.229 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.989 -5.096 -6.355 1.00 0.00 N ATOM 0 H GLN A 69 4.116 -1.510 -5.666 1.00 0.00 H new ATOM 0 HA GLN A 69 2.676 -3.482 -6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.787 -3.708 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.663 -4.973 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.240 -3.361 -6.631 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.625 -2.703 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.903 -4.610 -7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.658 -5.859 -6.252 1.00 0.00 H new ATOM 1092 N ILE A 70 1.114 -2.371 -4.207 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.138 -2.429 -3.463 1.00 0.00 C ATOM 1094 C ILE A 70 -1.264 -1.742 -4.228 1.00 0.00 C ATOM 1095 O ILE A 70 -2.413 -2.183 -4.193 1.00 0.00 O ATOM 1096 CB ILE A 70 0.000 -1.773 -2.077 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.106 -2.459 -1.272 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.323 -1.834 -1.328 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.762 -1.554 -0.253 1.00 0.00 C ATOM 0 H ILE A 70 1.708 -1.576 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.380 -3.484 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 70 0.271 -0.726 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.687 -3.326 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.867 -2.831 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.209 -1.366 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.088 -1.305 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.621 -2.875 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.536 -2.107 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.211 -0.700 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.013 -1.202 0.457 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.927 -0.660 -4.921 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.909 0.089 -5.698 1.00 0.00 C ATOM 1113 C LEU A 71 -2.263 -0.650 -6.985 1.00 0.00 C ATOM 1114 O LEU A 71 -3.291 -0.379 -7.604 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.373 1.483 -6.027 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.389 2.477 -6.590 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -3.071 3.239 -5.463 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.715 3.441 -7.556 1.00 0.00 C ATOM 0 H LEU A 71 0.019 -0.281 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.813 0.187 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.943 1.908 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.561 1.378 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.149 1.919 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.791 3.942 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.588 2.536 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.323 3.785 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.454 4.141 -7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.933 3.993 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.274 2.881 -8.381 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.405 -1.585 -7.380 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.628 -2.363 -8.592 1.00 0.00 C ATOM 1132 C GLN A 72 -2.857 -3.254 -8.448 1.00 0.00 C ATOM 1133 O GLN A 72 -3.337 -3.833 -9.424 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.399 -3.217 -8.909 1.00 0.00 C ATOM 1135 CG GLN A 72 0.757 -2.424 -9.498 1.00 0.00 C ATOM 1136 CD GLN A 72 0.678 -2.310 -11.007 1.00 0.00 C ATOM 1137 OE1 GLN A 72 0.002 -1.429 -11.540 1.00 0.00 O ATOM 1138 NE2 GLN A 72 1.370 -3.202 -11.706 1.00 0.00 N ATOM 0 H GLN A 72 -0.549 -1.822 -6.878 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.800 -1.667 -9.413 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.063 -3.709 -7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.684 -4.003 -9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.767 -1.425 -9.062 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.697 -2.901 -9.222 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.917 -3.915 -11.223 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.355 -3.174 -12.726 1.00 0.00 H new ATOM 1147 N THR A 73 -3.364 -3.362 -7.224 1.00 0.00 N ATOM 1148 CA THR A 73 -4.537 -4.183 -6.951 1.00 0.00 C ATOM 1149 C THR A 73 -5.790 -3.326 -6.815 1.00 0.00 C ATOM 1150 O THR A 73 -6.906 -3.806 -7.011 1.00 0.00 O ATOM 1151 CB THR A 73 -4.355 -5.014 -5.666 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.468 -4.168 -4.517 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.002 -5.710 -5.659 1.00 0.00 C ATOM 0 H THR A 73 -2.980 -2.891 -6.405 1.00 0.00 H new ATOM 0 HA THR A 73 -4.653 -4.858 -7.799 1.00 0.00 H new ATOM 0 HB THR A 73 -5.136 -5.773 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.712 -3.544 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.896 -6.290 -4.742 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.930 -6.375 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.209 -4.964 -5.710 1.00 0.00 H new ATOM 1161 N MET A 74 -5.597 -2.055 -6.479 1.00 0.00 N ATOM 1162 CA MET A 74 -6.713 -1.130 -6.320 1.00 0.00 C ATOM 1163 C MET A 74 -6.473 0.154 -7.108 1.00 0.00 C ATOM 1164 O MET A 74 -6.710 1.261 -6.624 1.00 0.00 O ATOM 1165 CB MET A 74 -6.924 -0.802 -4.840 1.00 0.00 C ATOM 1166 CG MET A 74 -5.628 -0.637 -4.064 1.00 0.00 C ATOM 1167 SD MET A 74 -5.904 -0.241 -2.326 1.00 0.00 S ATOM 1168 CE MET A 74 -5.057 -1.604 -1.530 1.00 0.00 C ATOM 0 H MET A 74 -4.679 -1.642 -6.312 1.00 0.00 H new ATOM 0 HA MET A 74 -7.610 -1.612 -6.710 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.506 0.116 -4.759 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.514 -1.595 -4.381 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.047 -1.556 -4.135 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.033 0.153 -4.522 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.764 -2.165 -0.920 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.631 -2.261 -2.289 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.259 -1.216 -0.897 1.00 0.00 H new ATOM 1178 N PRO A 75 -5.991 0.005 -8.350 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.708 1.142 -9.231 1.00 0.00 C ATOM 1180 C PRO A 75 -6.979 1.841 -9.702 1.00 0.00 C ATOM 1181 O PRO A 75 -6.939 2.984 -10.157 1.00 0.00 O ATOM 1182 CB PRO A 75 -4.980 0.501 -10.415 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.451 -0.912 -10.429 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.686 -1.285 -8.992 1.00 0.00 C ATOM 0 HA PRO A 75 -5.129 1.915 -8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.221 1.008 -11.349 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.898 0.557 -10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.366 -1.012 -11.013 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.708 -1.566 -10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.511 -1.990 -8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.808 -1.756 -8.550 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.106 1.146 -9.591 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.390 1.701 -10.004 1.00 0.00 C ATOM 1194 C ASP A 76 -10.287 1.954 -8.796 1.00 0.00 C ATOM 1195 O ASP A 76 -11.435 2.374 -8.941 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.087 0.755 -10.983 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.124 -0.675 -10.479 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.072 -1.347 -10.521 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -11.206 -1.122 -10.043 1.00 0.00 O ATOM 0 H ASP A 76 -8.156 0.198 -9.219 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.203 2.653 -10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.105 1.102 -11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.572 0.786 -11.943 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.755 1.694 -7.606 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.508 1.894 -6.374 1.00 0.00 C ATOM 1206 C ILE A 77 -9.742 2.784 -5.401 1.00 0.00 C ATOM 1207 O ILE A 77 -10.320 3.344 -4.470 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.826 0.554 -5.685 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -10.925 0.745 -4.170 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.765 -0.482 -6.026 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.276 -0.522 -3.423 1.00 0.00 C ATOM 0 H ILE A 77 -8.806 1.345 -7.469 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.443 2.382 -6.650 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.788 0.194 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.974 1.125 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.678 1.504 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.004 -1.424 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.739 -0.635 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.791 -0.131 -5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.329 -0.312 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.241 -0.892 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.511 -1.276 -3.607 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.439 2.911 -5.624 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.594 3.737 -4.770 1.00 0.00 C ATOM 1225 C ALA A 78 -6.658 4.608 -5.600 1.00 0.00 C ATOM 1226 O ALA A 78 -6.354 4.292 -6.750 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.795 2.862 -3.815 1.00 0.00 C ATOM 0 H ALA A 78 -7.945 2.452 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.240 4.395 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.168 3.491 -3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.478 2.287 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.165 2.180 -4.387 1.00 0.00 H new ATOM 1233 N THR A 79 -6.203 5.710 -5.010 1.00 0.00 N ATOM 1234 CA THR A 79 -5.304 6.628 -5.695 1.00 0.00 C ATOM 1235 C THR A 79 -4.342 7.290 -4.715 1.00 0.00 C ATOM 1236 O THR A 79 -4.696 7.559 -3.567 1.00 0.00 O ATOM 1237 CB THR A 79 -6.084 7.722 -6.448 1.00 0.00 C ATOM 1238 OG1 THR A 79 -5.175 8.580 -7.147 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.927 8.545 -5.486 1.00 0.00 C ATOM 0 H THR A 79 -6.444 5.987 -4.058 1.00 0.00 H new ATOM 0 HA THR A 79 -4.737 6.036 -6.414 1.00 0.00 H new ATOM 0 HB THR A 79 -6.747 7.236 -7.164 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.679 9.271 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.469 9.311 -6.041 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.638 7.894 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.279 9.020 -4.749 1.00 0.00 H new ATOM 1247 N PHE A 80 -3.122 7.551 -5.175 1.00 0.00 N ATOM 1248 CA PHE A 80 -2.108 8.181 -4.338 1.00 0.00 C ATOM 1249 C PHE A 80 -2.601 9.524 -3.805 1.00 0.00 C ATOM 1250 O PHE A 80 -2.861 10.451 -4.572 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.814 8.378 -5.129 1.00 0.00 C ATOM 1252 CG PHE A 80 0.149 7.233 -4.997 1.00 0.00 C ATOM 1253 CD1 PHE A 80 -0.182 5.974 -5.473 1.00 0.00 C ATOM 1254 CD2 PHE A 80 1.385 7.415 -4.398 1.00 0.00 C ATOM 1255 CE1 PHE A 80 0.702 4.919 -5.353 1.00 0.00 C ATOM 1256 CE2 PHE A 80 2.273 6.363 -4.276 1.00 0.00 C ATOM 1257 CZ PHE A 80 1.932 5.113 -4.754 1.00 0.00 C ATOM 0 H PHE A 80 -2.812 7.336 -6.123 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.911 7.523 -3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.059 8.517 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.327 9.293 -4.792 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.142 5.816 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.658 8.390 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.432 3.943 -5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.233 6.518 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.625 4.290 -4.660 1.00 0.00 H new ATOM 1267 N SER A 81 -2.727 9.619 -2.485 1.00 0.00 N ATOM 1268 CA SER A 81 -3.193 10.846 -1.848 1.00 0.00 C ATOM 1269 C SER A 81 -2.020 11.763 -1.513 1.00 0.00 C ATOM 1270 O SER A 81 -1.996 12.928 -1.909 1.00 0.00 O ATOM 1271 CB SER A 81 -3.979 10.519 -0.577 1.00 0.00 C ATOM 1272 OG SER A 81 -4.637 9.269 -0.691 1.00 0.00 O ATOM 0 H SER A 81 -2.513 8.862 -1.836 1.00 0.00 H new ATOM 0 HA SER A 81 -3.848 11.364 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.303 10.501 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.712 11.303 -0.387 1.00 0.00 H new ATOM 0 HG SER A 81 -3.974 8.547 -0.669 1.00 0.00 H new ATOM 1278 N SER A 82 -1.049 11.227 -0.781 1.00 0.00 N ATOM 1279 CA SER A 82 0.126 11.997 -0.388 1.00 0.00 C ATOM 1280 C SER A 82 1.406 11.306 -0.846 1.00 0.00 C ATOM 1281 O SER A 82 1.871 10.356 -0.215 1.00 0.00 O ATOM 1282 CB SER A 82 0.151 12.191 1.129 1.00 0.00 C ATOM 1283 OG SER A 82 0.835 13.381 1.480 1.00 0.00 O ATOM 0 H SER A 82 -1.052 10.263 -0.448 1.00 0.00 H new ATOM 0 HA SER A 82 0.069 12.973 -0.870 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.869 12.228 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.637 11.336 1.600 1.00 0.00 H new ATOM 0 HG SER A 82 0.835 13.483 2.455 1.00 0.00 H new ATOM 1289 N ARG A 83 1.971 11.789 -1.947 1.00 0.00 N ATOM 1290 CA ARG A 83 3.197 11.217 -2.491 1.00 0.00 C ATOM 1291 C ARG A 83 4.110 10.725 -1.372 1.00 0.00 C ATOM 1292 O ARG A 83 4.303 11.392 -0.355 1.00 0.00 O ATOM 1293 CB ARG A 83 3.932 12.252 -3.345 1.00 0.00 C ATOM 1294 CG ARG A 83 3.403 12.356 -4.766 1.00 0.00 C ATOM 1295 CD ARG A 83 4.072 11.346 -5.685 1.00 0.00 C ATOM 1296 NE ARG A 83 3.985 11.741 -7.088 1.00 0.00 N ATOM 1297 CZ ARG A 83 4.817 11.304 -8.028 1.00 0.00 C ATOM 1298 NH1 ARG A 83 5.791 10.461 -7.715 1.00 0.00 N ATOM 1299 NH2 ARG A 83 4.674 11.709 -9.283 1.00 0.00 N ATOM 0 H ARG A 83 1.600 12.575 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 83 2.926 10.366 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.854 13.228 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.991 11.997 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.325 12.192 -4.767 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.573 13.363 -5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.119 11.238 -5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.604 10.370 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 83 3.245 12.388 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.903 10.146 -6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.428 10.127 -8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.925 12.357 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.313 11.373 -10.003 1.00 0.00 H new ATOM 1313 N PRO A 84 4.686 9.528 -1.562 1.00 0.00 N ATOM 1314 CA PRO A 84 5.588 8.919 -0.580 1.00 0.00 C ATOM 1315 C PRO A 84 6.920 9.655 -0.482 1.00 0.00 C ATOM 1316 O PRO A 84 7.690 9.696 -1.442 1.00 0.00 O ATOM 1317 CB PRO A 84 5.797 7.503 -1.120 1.00 0.00 C ATOM 1318 CG PRO A 84 5.555 7.617 -2.586 1.00 0.00 C ATOM 1319 CD PRO A 84 4.501 8.678 -2.750 1.00 0.00 C ATOM 0 HA PRO A 84 5.173 8.948 0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.805 7.145 -0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.106 6.797 -0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.469 7.890 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.220 6.667 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.638 9.242 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.500 8.248 -2.785 1.00 0.00 H new ATOM 1327 N LYS A 85 7.187 10.234 0.684 1.00 0.00 N ATOM 1328 CA LYS A 85 8.428 10.967 0.908 1.00 0.00 C ATOM 1329 C LYS A 85 9.341 10.210 1.867 1.00 0.00 C ATOM 1330 O LYS A 85 8.927 9.235 2.493 1.00 0.00 O ATOM 1331 CB LYS A 85 8.127 12.360 1.466 1.00 0.00 C ATOM 1332 CG LYS A 85 7.521 12.340 2.859 1.00 0.00 C ATOM 1333 CD LYS A 85 6.003 12.302 2.806 1.00 0.00 C ATOM 1334 CE LYS A 85 5.422 11.568 4.005 1.00 0.00 C ATOM 1335 NZ LYS A 85 5.518 12.379 5.251 1.00 0.00 N ATOM 0 H LYS A 85 6.561 10.210 1.489 1.00 0.00 H new ATOM 0 HA LYS A 85 8.940 11.068 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.049 12.940 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.444 12.873 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.889 11.471 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.845 13.223 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.613 13.320 2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.682 11.811 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.378 11.323 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.950 10.624 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.643 11.747 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.332 13.023 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.647 12.933 5.372 1.00 0.00 H new ATOM 1349 N ALA A 86 10.584 10.666 1.978 1.00 0.00 N ATOM 1350 CA ALA A 86 11.554 10.034 2.863 1.00 0.00 C ATOM 1351 C ALA A 86 11.350 10.478 4.307 1.00 0.00 C ATOM 1352 O ALA A 86 11.397 11.670 4.613 1.00 0.00 O ATOM 1353 CB ALA A 86 12.970 10.351 2.406 1.00 0.00 C ATOM 0 H ALA A 86 10.943 11.471 1.466 1.00 0.00 H new ATOM 0 HA ALA A 86 11.402 8.956 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.684 9.873 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.117 9.978 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.124 11.430 2.422 1.00 0.00 H new ATOM 1359 N ILE A 87 11.123 9.513 5.192 1.00 0.00 N ATOM 1360 CA ILE A 87 10.912 9.805 6.604 1.00 0.00 C ATOM 1361 C ILE A 87 11.893 9.030 7.478 1.00 0.00 C ATOM 1362 O ILE A 87 12.671 8.216 6.983 1.00 0.00 O ATOM 1363 CB ILE A 87 9.474 9.467 7.040 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.107 8.047 6.606 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.494 10.475 6.460 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.095 7.380 7.511 1.00 0.00 C ATOM 0 H ILE A 87 11.081 8.522 4.956 1.00 0.00 H new ATOM 0 HA ILE A 87 11.080 10.874 6.734 1.00 0.00 H new ATOM 0 HB ILE A 87 9.417 9.520 8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.710 8.077 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.012 7.440 6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.482 10.223 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.747 11.474 6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.550 10.452 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.883 6.377 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.497 7.317 8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.175 7.965 7.522 1.00 0.00 H new ATOM 1378 N ARG A 88 11.847 9.289 8.781 1.00 0.00 N ATOM 1379 CA ARG A 88 12.731 8.616 9.725 1.00 0.00 C ATOM 1380 C ARG A 88 14.191 8.774 9.311 1.00 0.00 C ATOM 1381 O ARG A 88 15.005 7.874 9.510 1.00 0.00 O ATOM 1382 CB ARG A 88 12.375 7.131 9.819 1.00 0.00 C ATOM 1383 CG ARG A 88 10.881 6.868 9.921 1.00 0.00 C ATOM 1384 CD ARG A 88 10.355 7.178 11.313 1.00 0.00 C ATOM 1385 NE ARG A 88 8.912 6.972 11.411 1.00 0.00 N ATOM 1386 CZ ARG A 88 8.016 7.759 10.826 1.00 0.00 C ATOM 1387 NH1 ARG A 88 8.412 8.799 10.105 1.00 0.00 N ATOM 1388 NH2 ARG A 88 6.720 7.507 10.961 1.00 0.00 N ATOM 0 H ARG A 88 11.207 9.960 9.207 1.00 0.00 H new ATOM 0 HA ARG A 88 12.597 9.078 10.703 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.767 6.616 8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.871 6.701 10.689 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.352 7.476 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.676 5.825 9.677 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.862 6.545 12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.592 8.211 11.568 1.00 0.00 H new ATOM 0 HE ARG A 88 8.574 6.181 11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.407 8.996 9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.722 9.402 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.411 6.708 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.033 8.112 10.511 1.00 0.00 H new ATOM 1402 N GLY A 89 14.515 9.927 8.732 1.00 0.00 N ATOM 1403 CA GLY A 89 15.876 10.182 8.298 1.00 0.00 C ATOM 1404 C GLY A 89 16.084 9.873 6.828 1.00 0.00 C ATOM 1405 O GLY A 89 17.143 10.159 6.271 1.00 0.00 O ATOM 0 H GLY A 89 13.859 10.688 8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.124 11.227 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.563 9.580 8.893 1.00 0.00 H new ATOM 1409 N GLY A 90 15.070 9.286 6.199 1.00 0.00 N ATOM 1410 CA GLY A 90 15.168 8.946 4.792 1.00 0.00 C ATOM 1411 C GLY A 90 15.245 7.450 4.561 1.00 0.00 C ATOM 1412 O GLY A 90 15.251 6.989 3.419 1.00 0.00 O ATOM 0 H GLY A 90 14.183 9.040 6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.304 9.348 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.052 9.422 4.367 1.00 0.00 H new ATOM 1416 N THR A 91 15.308 6.687 5.648 1.00 0.00 N ATOM 1417 CA THR A 91 15.388 5.235 5.559 1.00 0.00 C ATOM 1418 C THR A 91 14.002 4.614 5.431 1.00 0.00 C ATOM 1419 O THR A 91 13.860 3.476 4.985 1.00 0.00 O ATOM 1420 CB THR A 91 16.096 4.635 6.788 1.00 0.00 C ATOM 1421 OG1 THR A 91 15.333 4.900 7.971 1.00 0.00 O ATOM 1422 CG2 THR A 91 17.496 5.211 6.942 1.00 0.00 C ATOM 0 H THR A 91 15.305 7.051 6.601 1.00 0.00 H new ATOM 0 HA THR A 91 15.969 5.005 4.666 1.00 0.00 H new ATOM 0 HB THR A 91 16.178 3.558 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.789 4.514 8.748 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.976 4.772 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 91 18.083 4.982 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 91 17.433 6.292 7.067 1.00 0.00 H new ATOM 1430 N ALA A 92 12.982 5.369 5.826 1.00 0.00 N ATOM 1431 CA ALA A 92 11.606 4.892 5.753 1.00 0.00 C ATOM 1432 C ALA A 92 10.777 5.752 4.805 1.00 0.00 C ATOM 1433 O ALA A 92 11.191 6.846 4.421 1.00 0.00 O ATOM 1434 CB ALA A 92 10.979 4.877 7.139 1.00 0.00 C ATOM 0 H ALA A 92 13.082 6.313 6.200 1.00 0.00 H new ATOM 0 HA ALA A 92 11.620 3.875 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.952 4.519 7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.551 4.216 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.984 5.886 7.552 1.00 0.00 H new ATOM 1440 N SER A 93 9.605 5.250 4.430 1.00 0.00 N ATOM 1441 CA SER A 93 8.720 5.970 3.522 1.00 0.00 C ATOM 1442 C SER A 93 7.277 5.917 4.015 1.00 0.00 C ATOM 1443 O SER A 93 6.800 4.873 4.460 1.00 0.00 O ATOM 1444 CB SER A 93 8.812 5.383 2.113 1.00 0.00 C ATOM 1445 OG SER A 93 9.982 5.829 1.450 1.00 0.00 O ATOM 0 H SER A 93 9.246 4.347 4.741 1.00 0.00 H new ATOM 0 HA SER A 93 9.038 7.012 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.814 4.294 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.932 5.671 1.538 1.00 0.00 H new ATOM 0 HG SER A 93 10.018 5.438 0.552 1.00 0.00 H new ATOM 1451 N MET A 94 6.587 7.050 3.931 1.00 0.00 N ATOM 1452 CA MET A 94 5.198 7.132 4.366 1.00 0.00 C ATOM 1453 C MET A 94 4.316 7.711 3.264 1.00 0.00 C ATOM 1454 O MET A 94 4.723 8.626 2.547 1.00 0.00 O ATOM 1455 CB MET A 94 5.087 7.990 5.628 1.00 0.00 C ATOM 1456 CG MET A 94 3.790 7.782 6.393 1.00 0.00 C ATOM 1457 SD MET A 94 2.364 8.494 5.550 1.00 0.00 S ATOM 1458 CE MET A 94 2.685 10.244 5.764 1.00 0.00 C ATOM 0 H MET A 94 6.967 7.923 3.566 1.00 0.00 H new ATOM 0 HA MET A 94 4.853 6.123 4.590 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.927 7.765 6.285 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.171 9.041 5.351 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.626 6.714 6.538 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.881 8.228 7.383 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.479 10.769 4.831 1.00 0.00 H new ATOM 0 HE2 MET A 94 2.043 10.638 6.552 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.729 10.391 6.040 1.00 0.00 H new ATOM 1468 N CYS A 95 3.109 7.173 3.135 1.00 0.00 N ATOM 1469 CA CYS A 95 2.170 7.636 2.119 1.00 0.00 C ATOM 1470 C CYS A 95 0.734 7.309 2.516 1.00 0.00 C ATOM 1471 O CYS A 95 0.492 6.423 3.336 1.00 0.00 O ATOM 1472 CB CYS A 95 2.496 7.000 0.767 1.00 0.00 C ATOM 1473 SG CYS A 95 1.106 6.974 -0.390 1.00 0.00 S ATOM 0 H CYS A 95 2.757 6.416 3.721 1.00 0.00 H new ATOM 0 HA CYS A 95 2.267 8.719 2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.324 7.544 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.838 5.978 0.931 1.00 0.00 H new ATOM 0 HG CYS A 95 0.540 5.804 -0.362 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.215 8.031 1.930 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.628 7.819 2.223 1.00 0.00 C ATOM 1481 C VAL A 96 -2.390 7.392 0.974 1.00 0.00 C ATOM 1482 O VAL A 96 -2.114 7.867 -0.128 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.279 9.090 2.799 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.671 8.784 3.331 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.403 9.691 3.888 1.00 0.00 C ATOM 0 H VAL A 96 -0.032 8.768 1.249 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.681 7.024 2.967 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.376 9.822 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.115 9.694 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.294 8.404 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.603 8.034 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.879 10.588 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.272 8.966 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.430 9.950 3.471 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.351 6.491 1.153 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.153 5.999 0.040 1.00 0.00 C ATOM 1497 C PHE A 97 -5.611 6.427 0.188 1.00 0.00 C ATOM 1498 O PHE A 97 -6.264 6.107 1.182 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.064 4.474 -0.046 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.737 3.978 -0.544 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.634 3.949 0.294 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.592 3.539 -1.850 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.411 3.494 -0.162 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.372 3.083 -2.312 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.281 3.059 -1.467 1.00 0.00 C ATOM 0 H PHE A 97 -3.593 6.087 2.058 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.757 6.432 -0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.254 4.051 0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.850 4.109 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.731 4.286 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.443 3.553 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.442 3.479 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.272 2.746 -3.333 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.673 2.701 -1.825 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.112 7.152 -0.805 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.491 7.626 -0.785 1.00 0.00 C ATOM 1517 C ARG A 98 -8.301 6.989 -1.910 1.00 0.00 C ATOM 1518 O ARG A 98 -7.761 6.260 -2.742 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.531 9.150 -0.913 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.204 9.653 -2.309 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.098 11.170 -2.344 1.00 0.00 C ATOM 1522 NE ARG A 98 -8.364 11.815 -2.007 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.491 13.120 -1.796 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.433 13.915 -1.888 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -9.676 13.633 -1.493 1.00 0.00 N ATOM 0 H ARG A 98 -5.584 7.425 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.934 7.337 0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.523 9.504 -0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.825 9.584 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.265 9.214 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.976 9.325 -3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.328 11.496 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.782 11.488 -3.337 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.197 11.231 -1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.520 13.524 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.532 14.917 -1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.492 13.025 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.771 14.636 -1.331 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.601 7.270 -1.929 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.486 6.725 -2.952 1.00 0.00 C ATOM 1541 C HIS A 99 -10.671 7.718 -4.096 1.00 0.00 C ATOM 1542 O HIS A 99 -10.886 8.909 -3.869 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.844 6.370 -2.345 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.821 5.827 -3.341 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.548 6.628 -4.196 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.189 4.554 -3.617 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.322 5.872 -4.954 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.123 4.609 -4.623 1.00 0.00 N ATOM 0 H HIS A 99 -10.064 7.872 -1.248 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.027 5.820 -3.350 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.698 5.635 -1.554 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.269 7.260 -1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.818 3.661 -3.136 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -15.002 6.226 -5.715 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.587 3.805 -5.046 1.00 0.00 H new