USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 737 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 ASN : amide:sc= 0.426 X(o=0.43,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -119:sc= 0.162 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 52 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00783 X(o=-0.0078,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.3!) USER MOD Single : A 78 HIS : no HD1:sc= -0.291 K(o=-0.29,f=-1.5!) USER MOD Single : A 80 TYR OH : rot -150:sc= -0.45 USER MOD Single : A 81 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -111:sc= 0.216 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -9.547 10.927 -5.878 1.00 0.00 N ATOM 118 CA PHE A 8 -8.980 11.217 -4.558 1.00 0.00 C ATOM 119 C PHE A 8 -7.695 10.431 -4.293 1.00 0.00 C ATOM 120 O PHE A 8 -7.023 10.660 -3.288 1.00 0.00 O ATOM 121 CB PHE A 8 -10.007 10.915 -3.462 1.00 0.00 C ATOM 122 CG PHE A 8 -11.120 11.922 -3.394 1.00 0.00 C ATOM 123 CD1 PHE A 8 -12.264 11.758 -4.156 1.00 0.00 C ATOM 124 CD2 PHE A 8 -11.017 13.035 -2.575 1.00 0.00 C ATOM 125 CE1 PHE A 8 -13.288 12.683 -4.103 1.00 0.00 C ATOM 126 CE2 PHE A 8 -12.038 13.965 -2.518 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.175 13.789 -3.284 1.00 0.00 C ATOM 0 HA PHE A 8 -8.727 12.277 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.432 9.926 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.499 10.880 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.357 10.896 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.130 13.177 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.176 12.542 -4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.947 14.828 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 8 -13.973 14.515 -3.242 1.00 0.00 H new ATOM 137 N LEU A 9 -7.353 9.512 -5.192 1.00 0.00 N ATOM 138 CA LEU A 9 -6.145 8.695 -5.034 1.00 0.00 C ATOM 139 C LEU A 9 -4.849 9.442 -5.415 1.00 0.00 C ATOM 140 O LEU A 9 -3.865 9.358 -4.679 1.00 0.00 O ATOM 141 CB LEU A 9 -6.256 7.399 -5.841 1.00 0.00 C ATOM 142 CG LEU A 9 -5.584 6.178 -5.202 1.00 0.00 C ATOM 143 CD1 LEU A 9 -6.528 5.492 -4.225 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.126 5.196 -6.271 1.00 0.00 C ATOM 0 H LEU A 9 -7.890 9.312 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.077 8.461 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.311 7.174 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.817 7.563 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.709 6.524 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.030 4.629 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.808 6.192 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.423 5.164 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.652 4.337 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.986 4.862 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.411 5.686 -6.933 1.00 0.00 H new ATOM 156 N PRO A 10 -4.801 10.169 -6.563 1.00 0.00 N ATOM 157 CA PRO A 10 -3.588 10.895 -6.982 1.00 0.00 C ATOM 158 C PRO A 10 -3.252 12.088 -6.082 1.00 0.00 C ATOM 159 O PRO A 10 -2.146 12.624 -6.145 1.00 0.00 O ATOM 160 CB PRO A 10 -3.918 11.382 -8.405 1.00 0.00 C ATOM 161 CG PRO A 10 -5.145 10.640 -8.812 1.00 0.00 C ATOM 162 CD PRO A 10 -5.884 10.337 -7.545 1.00 0.00 C ATOM 0 HA PRO A 10 -2.712 10.249 -6.926 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.088 12.458 -8.421 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.094 11.180 -9.089 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.757 11.238 -9.487 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.888 9.723 -9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.559 11.147 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.489 9.435 -7.637 1.00 0.00 H new ATOM 170 N GLU A 11 -4.204 12.496 -5.244 1.00 0.00 N ATOM 171 CA GLU A 11 -4.001 13.628 -4.342 1.00 0.00 C ATOM 172 C GLU A 11 -3.334 13.193 -3.036 1.00 0.00 C ATOM 173 O GLU A 11 -2.455 13.882 -2.516 1.00 0.00 O ATOM 174 CB GLU A 11 -5.340 14.305 -4.047 1.00 0.00 C ATOM 175 CG GLU A 11 -5.891 15.101 -5.219 1.00 0.00 C ATOM 176 CD GLU A 11 -7.208 15.773 -4.890 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.261 15.121 -5.045 1.00 0.00 O ATOM 178 OE2 GLU A 11 -7.185 16.949 -4.473 1.00 0.00 O ATOM 0 H GLU A 11 -5.123 12.060 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.336 14.336 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.067 13.545 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.221 14.970 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.164 15.857 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.028 14.438 -6.073 1.00 0.00 H new ATOM 185 N ILE A 12 -3.757 12.043 -2.517 1.00 0.00 N ATOM 186 CA ILE A 12 -3.210 11.499 -1.275 1.00 0.00 C ATOM 187 C ILE A 12 -1.822 10.894 -1.492 1.00 0.00 C ATOM 188 O ILE A 12 -1.008 10.847 -0.570 1.00 0.00 O ATOM 189 CB ILE A 12 -4.145 10.438 -0.641 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.585 9.396 -1.673 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.363 11.109 -0.027 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.836 8.084 -1.579 1.00 0.00 C ATOM 0 H ILE A 12 -4.483 11.465 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.127 12.338 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.586 9.925 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.651 9.204 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.450 9.809 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.011 10.352 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.043 11.808 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.910 11.649 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.205 7.399 -2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.772 8.261 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.991 7.646 -0.593 1.00 0.00 H new ATOM 204 N LEU A 13 -1.588 10.404 -2.715 1.00 0.00 N ATOM 205 CA LEU A 13 -0.323 9.765 -3.105 1.00 0.00 C ATOM 206 C LEU A 13 0.920 10.561 -2.681 1.00 0.00 C ATOM 207 O LEU A 13 1.953 9.974 -2.378 1.00 0.00 O ATOM 208 CB LEU A 13 -0.297 9.554 -4.621 1.00 0.00 C ATOM 209 CG LEU A 13 0.637 8.443 -5.104 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.069 7.100 -5.048 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.129 8.727 -6.516 1.00 0.00 C ATOM 0 H LEU A 13 -2.275 10.439 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.283 8.811 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.309 9.330 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.002 10.489 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 13 1.503 8.410 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.607 6.319 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.371 6.890 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.951 7.126 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.792 7.924 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.277 8.788 -7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.671 9.672 -6.529 1.00 0.00 H new ATOM 223 N ALA A 14 0.821 11.887 -2.664 1.00 0.00 N ATOM 224 CA ALA A 14 1.948 12.741 -2.286 1.00 0.00 C ATOM 225 C ALA A 14 2.396 12.495 -0.842 1.00 0.00 C ATOM 226 O ALA A 14 3.593 12.433 -0.557 1.00 0.00 O ATOM 227 CB ALA A 14 1.576 14.204 -2.481 1.00 0.00 C ATOM 0 H ALA A 14 -0.029 12.396 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 14 2.788 12.488 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.419 14.835 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.327 14.380 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.716 14.447 -1.857 1.00 0.00 H new ATOM 233 N GLU A 15 1.425 12.345 0.060 1.00 0.00 N ATOM 234 CA GLU A 15 1.705 12.124 1.481 1.00 0.00 C ATOM 235 C GLU A 15 2.191 10.703 1.799 1.00 0.00 C ATOM 236 O GLU A 15 2.713 10.462 2.886 1.00 0.00 O ATOM 237 CB GLU A 15 0.455 12.420 2.312 1.00 0.00 C ATOM 238 CG GLU A 15 0.134 13.901 2.447 1.00 0.00 C ATOM 239 CD GLU A 15 -1.122 14.145 3.259 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.227 14.072 2.681 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.003 14.404 4.476 1.00 0.00 O ATOM 0 H GLU A 15 0.432 12.373 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 15 2.516 12.806 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.398 11.914 1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.585 11.995 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.974 14.411 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.013 14.336 1.455 1.00 0.00 H new ATOM 248 N ILE A 16 2.030 9.760 0.869 1.00 0.00 N ATOM 249 CA ILE A 16 2.451 8.377 1.124 1.00 0.00 C ATOM 250 C ILE A 16 3.872 8.090 0.633 1.00 0.00 C ATOM 251 O ILE A 16 4.573 7.273 1.222 1.00 0.00 O ATOM 252 CB ILE A 16 1.462 7.342 0.516 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.777 5.934 1.028 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.498 7.359 -1.004 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.954 5.522 2.226 1.00 0.00 C ATOM 0 H ILE A 16 1.620 9.921 -0.051 1.00 0.00 H new ATOM 0 HA ILE A 16 2.444 8.268 2.208 1.00 0.00 H new ATOM 0 HB ILE A 16 0.458 7.624 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.611 5.219 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.834 5.881 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.794 6.623 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.222 8.350 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.504 7.116 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.234 4.514 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.137 6.213 3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.104 5.541 1.965 1.00 0.00 H new ATOM 267 N ILE A 17 4.308 8.765 -0.426 1.00 0.00 N ATOM 268 CA ILE A 17 5.650 8.536 -0.962 1.00 0.00 C ATOM 269 C ILE A 17 6.734 9.026 0.001 1.00 0.00 C ATOM 270 O ILE A 17 7.803 8.422 0.104 1.00 0.00 O ATOM 271 CB ILE A 17 5.846 9.218 -2.335 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.719 8.832 -3.295 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.194 8.834 -2.932 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.473 9.855 -4.385 1.00 0.00 C ATOM 0 H ILE A 17 3.762 9.466 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 17 5.747 7.458 -1.088 1.00 0.00 H new ATOM 0 HB ILE A 17 5.822 10.297 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.958 7.873 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.800 8.692 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.316 9.323 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.993 9.151 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.239 7.753 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.661 9.514 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.203 10.810 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.378 9.978 -4.979 1.00 0.00 H new ATOM 286 N ALA A 18 6.442 10.103 0.725 1.00 0.00 N ATOM 287 CA ALA A 18 7.403 10.683 1.658 1.00 0.00 C ATOM 288 C ALA A 18 7.292 10.095 3.068 1.00 0.00 C ATOM 289 O ALA A 18 8.143 10.361 3.916 1.00 0.00 O ATOM 290 CB ALA A 18 7.221 12.193 1.706 1.00 0.00 C ATOM 0 H ALA A 18 5.548 10.592 0.683 1.00 0.00 H new ATOM 0 HA ALA A 18 8.399 10.436 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.939 12.624 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.384 12.611 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.209 12.427 2.037 1.00 0.00 H new ATOM 296 N ASN A 19 6.249 9.303 3.326 1.00 0.00 N ATOM 297 CA ASN A 19 6.057 8.713 4.654 1.00 0.00 C ATOM 298 C ASN A 19 6.045 7.184 4.618 1.00 0.00 C ATOM 299 O ASN A 19 5.537 6.542 5.538 1.00 0.00 O ATOM 300 CB ASN A 19 4.756 9.226 5.275 1.00 0.00 C ATOM 301 CG ASN A 19 4.873 10.657 5.761 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.273 10.908 6.897 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.524 11.606 4.901 1.00 0.00 N ATOM 0 H ASN A 19 5.532 9.057 2.643 1.00 0.00 H new ATOM 0 HA ASN A 19 6.906 9.019 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.954 9.159 4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.477 8.583 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.582 12.587 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.197 11.354 3.968 1.00 0.00 H new ATOM 310 N LEU A 20 6.606 6.601 3.566 1.00 0.00 N ATOM 311 CA LEU A 20 6.641 5.143 3.441 1.00 0.00 C ATOM 312 C LEU A 20 8.065 4.620 3.293 1.00 0.00 C ATOM 313 O LEU A 20 8.932 5.286 2.729 1.00 0.00 O ATOM 314 CB LEU A 20 5.812 4.683 2.242 1.00 0.00 C ATOM 315 CG LEU A 20 5.392 3.211 2.266 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.007 3.064 2.871 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.428 2.624 0.864 1.00 0.00 C ATOM 0 H LEU A 20 7.040 7.106 2.793 1.00 0.00 H new ATOM 0 HA LEU A 20 6.217 4.737 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.915 5.299 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.385 4.866 1.333 1.00 0.00 H new ATOM 0 HG LEU A 20 6.099 2.660 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.724 2.011 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.013 3.447 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.288 3.628 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.127 1.577 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.744 3.177 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.440 2.697 0.465 1.00 0.00 H new ATOM 329 N ASP A 21 8.288 3.413 3.805 1.00 0.00 N ATOM 330 CA ASP A 21 9.592 2.763 3.723 1.00 0.00 C ATOM 331 C ASP A 21 9.437 1.359 3.141 1.00 0.00 C ATOM 332 O ASP A 21 9.062 0.428 3.851 1.00 0.00 O ATOM 333 CB ASP A 21 10.250 2.697 5.105 1.00 0.00 C ATOM 334 CG ASP A 21 10.756 4.049 5.568 1.00 0.00 C ATOM 335 OD1 ASP A 21 9.970 4.802 6.182 1.00 0.00 O ATOM 336 OD2 ASP A 21 11.939 4.358 5.312 1.00 0.00 O ATOM 0 H ASP A 21 7.576 2.862 4.285 1.00 0.00 H new ATOM 0 HA ASP A 21 10.235 3.350 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.531 2.314 5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.080 1.992 5.076 1.00 0.00 H new ATOM 341 N PRO A 22 9.728 1.197 1.832 1.00 0.00 N ATOM 342 CA PRO A 22 9.604 -0.092 1.120 1.00 0.00 C ATOM 343 C PRO A 22 10.471 -1.213 1.695 1.00 0.00 C ATOM 344 O PRO A 22 10.193 -2.388 1.470 1.00 0.00 O ATOM 345 CB PRO A 22 10.067 0.239 -0.305 1.00 0.00 C ATOM 346 CG PRO A 22 9.932 1.715 -0.431 1.00 0.00 C ATOM 347 CD PRO A 22 10.199 2.269 0.936 1.00 0.00 C ATOM 0 HA PRO A 22 8.585 -0.472 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.098 -0.076 -0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.456 -0.276 -1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.640 2.112 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.935 1.988 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.258 2.482 1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.660 3.201 1.105 1.00 0.00 H new ATOM 355 N THR A 23 11.515 -0.851 2.428 1.00 0.00 N ATOM 356 CA THR A 23 12.424 -1.833 3.014 1.00 0.00 C ATOM 357 C THR A 23 11.828 -2.526 4.238 1.00 0.00 C ATOM 358 O THR A 23 11.839 -3.754 4.335 1.00 0.00 O ATOM 359 CB THR A 23 13.749 -1.166 3.428 1.00 0.00 C ATOM 360 OG1 THR A 23 13.484 0.114 4.019 1.00 0.00 O ATOM 361 CG2 THR A 23 14.668 -0.991 2.227 1.00 0.00 C ATOM 0 H THR A 23 11.756 0.119 2.633 1.00 0.00 H new ATOM 0 HA THR A 23 12.599 -2.584 2.243 1.00 0.00 H new ATOM 0 HB THR A 23 14.245 -1.811 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.329 0.534 4.282 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.597 -0.518 2.546 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.888 -1.966 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.178 -0.364 1.482 1.00 0.00 H new ATOM 369 N LYS A 24 11.299 -1.729 5.161 1.00 0.00 N ATOM 370 CA LYS A 24 10.734 -2.248 6.404 1.00 0.00 C ATOM 371 C LYS A 24 9.422 -3.010 6.203 1.00 0.00 C ATOM 372 O LYS A 24 9.137 -3.948 6.942 1.00 0.00 O ATOM 373 CB LYS A 24 10.519 -1.102 7.396 1.00 0.00 C ATOM 374 CG LYS A 24 10.554 -1.548 8.849 1.00 0.00 C ATOM 375 CD LYS A 24 10.590 -0.366 9.803 1.00 0.00 C ATOM 376 CE LYS A 24 10.092 -0.763 11.184 1.00 0.00 C ATOM 377 NZ LYS A 24 10.147 0.369 12.150 1.00 0.00 N ATOM 0 H LYS A 24 11.249 -0.714 5.071 1.00 0.00 H new ATOM 0 HA LYS A 24 11.455 -2.964 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.287 -0.345 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.558 -0.629 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.678 -2.160 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.429 -2.176 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.608 0.016 9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.974 0.442 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.066 -1.124 11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.694 -1.590 11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.798 0.052 13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.129 0.698 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.552 1.149 11.805 1.00 0.00 H new ATOM 391 N ILE A 25 8.630 -2.629 5.208 1.00 0.00 N ATOM 392 CA ILE A 25 7.343 -3.292 4.979 1.00 0.00 C ATOM 393 C ILE A 25 7.467 -4.558 4.127 1.00 0.00 C ATOM 394 O ILE A 25 6.711 -5.510 4.320 1.00 0.00 O ATOM 395 CB ILE A 25 6.309 -2.345 4.330 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.881 -1.698 3.069 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.863 -1.279 5.323 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.831 -1.383 2.029 1.00 0.00 C ATOM 0 H ILE A 25 8.847 -1.877 4.554 1.00 0.00 H new ATOM 0 HA ILE A 25 6.993 -3.580 5.970 1.00 0.00 H new ATOM 0 HB ILE A 25 5.439 -2.936 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.398 -0.778 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.626 -2.364 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.135 -0.621 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.408 -1.757 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.726 -0.695 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.305 -0.926 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.330 -2.303 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.099 -0.693 2.448 1.00 0.00 H new ATOM 410 N LEU A 26 8.419 -4.571 3.196 1.00 0.00 N ATOM 411 CA LEU A 26 8.609 -5.719 2.307 1.00 0.00 C ATOM 412 C LEU A 26 9.092 -6.955 3.062 1.00 0.00 C ATOM 413 O LEU A 26 8.734 -8.080 2.712 1.00 0.00 O ATOM 414 CB LEU A 26 9.605 -5.374 1.199 1.00 0.00 C ATOM 415 CG LEU A 26 9.434 -6.168 -0.096 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.422 -5.487 -1.002 1.00 0.00 C ATOM 417 CD2 LEU A 26 10.769 -6.321 -0.809 1.00 0.00 C ATOM 0 H LEU A 26 9.070 -3.802 3.037 1.00 0.00 H new ATOM 0 HA LEU A 26 7.638 -5.951 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.517 -4.312 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.615 -5.536 1.576 1.00 0.00 H new ATOM 0 HG LEU A 26 9.063 -7.162 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.310 -6.063 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.460 -5.426 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.768 -4.482 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.627 -6.889 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.168 -5.336 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.469 -6.848 -0.161 1.00 0.00 H new ATOM 429 N GLU A 27 9.893 -6.735 4.100 1.00 0.00 N ATOM 430 CA GLU A 27 10.452 -7.824 4.898 1.00 0.00 C ATOM 431 C GLU A 27 9.377 -8.619 5.648 1.00 0.00 C ATOM 432 O GLU A 27 9.428 -9.848 5.690 1.00 0.00 O ATOM 433 CB GLU A 27 11.466 -7.264 5.894 1.00 0.00 C ATOM 434 CG GLU A 27 12.784 -6.851 5.258 1.00 0.00 C ATOM 435 CD GLU A 27 13.776 -6.324 6.275 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.548 -7.136 6.828 1.00 0.00 O ATOM 437 OE2 GLU A 27 13.780 -5.099 6.519 1.00 0.00 O ATOM 0 H GLU A 27 10.172 -5.805 4.411 1.00 0.00 H new ATOM 0 HA GLU A 27 10.939 -8.512 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.029 -6.401 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.662 -8.014 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.218 -7.706 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.597 -6.085 4.506 1.00 0.00 H new ATOM 444 N GLU A 28 8.402 -7.914 6.222 1.00 0.00 N ATOM 445 CA GLU A 28 7.334 -8.555 6.993 1.00 0.00 C ATOM 446 C GLU A 28 6.329 -9.294 6.106 1.00 0.00 C ATOM 447 O GLU A 28 5.659 -10.222 6.561 1.00 0.00 O ATOM 448 CB GLU A 28 6.600 -7.512 7.844 1.00 0.00 C ATOM 449 CG GLU A 28 7.239 -7.277 9.204 1.00 0.00 C ATOM 450 CD GLU A 28 8.323 -6.216 9.166 1.00 0.00 C ATOM 451 OE1 GLU A 28 7.992 -5.026 9.346 1.00 0.00 O ATOM 452 OE2 GLU A 28 9.502 -6.576 8.956 1.00 0.00 O ATOM 0 H GLU A 28 8.329 -6.898 6.168 1.00 0.00 H new ATOM 0 HA GLU A 28 7.808 -9.296 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.568 -6.568 7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.568 -7.833 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.469 -6.979 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.664 -8.212 9.568 1.00 0.00 H new ATOM 459 N LEU A 29 6.227 -8.880 4.846 1.00 0.00 N ATOM 460 CA LEU A 29 5.293 -9.498 3.907 1.00 0.00 C ATOM 461 C LEU A 29 5.841 -10.807 3.339 1.00 0.00 C ATOM 462 O LEU A 29 5.091 -11.762 3.124 1.00 0.00 O ATOM 463 CB LEU A 29 4.981 -8.526 2.768 1.00 0.00 C ATOM 464 CG LEU A 29 4.088 -7.347 3.155 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.302 -6.179 2.205 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.628 -7.768 3.165 1.00 0.00 C ATOM 0 H LEU A 29 6.779 -8.119 4.451 1.00 0.00 H new ATOM 0 HA LEU A 29 4.379 -9.731 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.920 -8.138 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.500 -9.078 1.960 1.00 0.00 H new ATOM 0 HG LEU A 29 4.360 -7.024 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.658 -5.350 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.344 -5.861 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.058 -6.487 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.006 -6.917 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.343 -8.117 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.486 -8.572 3.887 1.00 0.00 H new ATOM 478 N LEU A 30 7.149 -10.843 3.101 1.00 0.00 N ATOM 479 CA LEU A 30 7.802 -12.025 2.543 1.00 0.00 C ATOM 480 C LEU A 30 7.935 -13.148 3.570 1.00 0.00 C ATOM 481 O LEU A 30 7.920 -14.328 3.213 1.00 0.00 O ATOM 482 CB LEU A 30 9.183 -11.655 2.003 1.00 0.00 C ATOM 483 CG LEU A 30 9.177 -10.825 0.722 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.451 -10.001 0.616 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.022 -11.732 -0.487 1.00 0.00 C ATOM 0 H LEU A 30 7.781 -10.064 3.287 1.00 0.00 H new ATOM 0 HA LEU A 30 7.173 -12.391 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.721 -11.102 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.742 -12.573 1.820 1.00 0.00 H new ATOM 0 HG LEU A 30 8.330 -10.139 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.430 -9.415 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.523 -9.330 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.314 -10.666 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.019 -11.130 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.853 -12.437 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.083 -12.281 -0.412 1.00 0.00 H new ATOM 497 N ARG A 31 8.070 -12.774 4.842 1.00 0.00 N ATOM 498 CA ARG A 31 8.225 -13.746 5.926 1.00 0.00 C ATOM 499 C ARG A 31 6.963 -14.581 6.134 1.00 0.00 C ATOM 500 O ARG A 31 7.039 -15.747 6.519 1.00 0.00 O ATOM 501 CB ARG A 31 8.584 -13.027 7.224 1.00 0.00 C ATOM 502 CG ARG A 31 10.036 -12.588 7.287 1.00 0.00 C ATOM 503 CD ARG A 31 10.359 -11.920 8.611 1.00 0.00 C ATOM 504 NE ARG A 31 11.730 -11.419 8.647 1.00 0.00 N ATOM 505 CZ ARG A 31 12.351 -11.041 9.760 1.00 0.00 C ATOM 506 NH1 ARG A 31 11.727 -11.101 10.929 1.00 0.00 N ATOM 507 NH2 ARG A 31 13.597 -10.595 9.703 1.00 0.00 N ATOM 0 H ARG A 31 8.075 -11.801 5.149 1.00 0.00 H new ATOM 0 HA ARG A 31 9.029 -14.425 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.942 -12.153 7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.374 -13.686 8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.685 -13.453 7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.244 -11.897 6.470 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.666 -11.095 8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.211 -12.632 9.423 1.00 0.00 H new ATOM 0 HE ARG A 31 12.241 -11.355 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.766 -11.439 10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.209 -10.810 11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.079 -10.542 8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.074 -10.305 10.556 1.00 0.00 H new ATOM 521 N ARG A 32 5.804 -13.979 5.881 1.00 0.00 N ATOM 522 CA ARG A 32 4.530 -14.674 6.047 1.00 0.00 C ATOM 523 C ARG A 32 4.111 -15.375 4.757 1.00 0.00 C ATOM 524 O ARG A 32 3.194 -16.197 4.759 1.00 0.00 O ATOM 525 CB ARG A 32 3.444 -13.694 6.492 1.00 0.00 C ATOM 526 CG ARG A 32 3.699 -13.094 7.868 1.00 0.00 C ATOM 527 CD ARG A 32 2.429 -12.517 8.472 1.00 0.00 C ATOM 528 NE ARG A 32 2.661 -11.953 9.801 1.00 0.00 N ATOM 529 CZ ARG A 32 1.686 -11.575 10.626 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.416 -11.700 10.264 1.00 0.00 N ATOM 531 NH2 ARG A 32 1.982 -11.071 11.815 1.00 0.00 N ATOM 0 H ARG A 32 5.720 -13.014 5.561 1.00 0.00 H new ATOM 0 HA ARG A 32 4.660 -15.434 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.369 -12.889 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.483 -14.207 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.102 -13.860 8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.453 -12.311 7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.034 -11.743 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.671 -13.298 8.537 1.00 0.00 H new ATOM 0 HE ARG A 32 3.625 -11.843 10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.182 -12.087 9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.327 -11.409 10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.957 -10.972 12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.235 -10.782 12.447 1.00 0.00 H new ATOM 545 N GLY A 33 4.793 -15.048 3.661 1.00 0.00 N ATOM 546 CA GLY A 33 4.486 -15.656 2.378 1.00 0.00 C ATOM 547 C GLY A 33 3.281 -15.030 1.702 1.00 0.00 C ATOM 548 O GLY A 33 2.511 -15.719 1.034 1.00 0.00 O ATOM 0 H GLY A 33 5.555 -14.370 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.352 -15.566 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.304 -16.721 2.521 1.00 0.00 H new ATOM 552 N LEU A 34 3.117 -13.720 1.874 1.00 0.00 N ATOM 553 CA LEU A 34 1.996 -12.999 1.276 1.00 0.00 C ATOM 554 C LEU A 34 2.410 -12.293 -0.012 1.00 0.00 C ATOM 555 O LEU A 34 1.562 -11.803 -0.758 1.00 0.00 O ATOM 556 CB LEU A 34 1.446 -11.969 2.269 1.00 0.00 C ATOM 557 CG LEU A 34 0.008 -11.507 2.009 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.737 -11.326 3.321 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.001 -10.212 1.208 1.00 0.00 C ATOM 0 H LEU A 34 3.747 -13.136 2.423 1.00 0.00 H new ATOM 0 HA LEU A 34 1.223 -13.728 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.498 -12.393 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.098 -11.095 2.258 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.501 -12.275 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.756 -10.998 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.761 -12.273 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.228 -10.577 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.028 -9.898 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.527 -9.437 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.499 -10.373 0.252 1.00 0.00 H new ATOM 571 N LEU A 35 3.701 -12.276 -0.303 1.00 0.00 N ATOM 572 CA LEU A 35 4.181 -11.588 -1.487 1.00 0.00 C ATOM 573 C LEU A 35 4.678 -12.571 -2.544 1.00 0.00 C ATOM 574 O LEU A 35 5.404 -13.517 -2.232 1.00 0.00 O ATOM 575 CB LEU A 35 5.305 -10.622 -1.105 1.00 0.00 C ATOM 576 CG LEU A 35 5.203 -9.230 -1.736 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.052 -8.231 -0.970 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.616 -9.267 -3.200 1.00 0.00 C ATOM 0 H LEU A 35 4.426 -12.725 0.257 1.00 0.00 H new ATOM 0 HA LEU A 35 3.347 -11.031 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.317 -10.513 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.258 -11.066 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 35 4.162 -8.911 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.966 -7.249 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.707 -8.176 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.094 -8.550 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.535 -8.267 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.647 -9.613 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.962 -9.948 -3.745 1.00 0.00 H new ATOM 590 N THR A 36 4.276 -12.343 -3.797 1.00 0.00 N ATOM 591 CA THR A 36 4.688 -13.201 -4.903 1.00 0.00 C ATOM 592 C THR A 36 5.850 -12.578 -5.670 1.00 0.00 C ATOM 593 O THR A 36 5.992 -11.357 -5.711 1.00 0.00 O ATOM 594 CB THR A 36 3.526 -13.469 -5.884 1.00 0.00 C ATOM 595 OG1 THR A 36 2.927 -12.233 -6.285 1.00 0.00 O ATOM 596 CG2 THR A 36 2.477 -14.369 -5.246 1.00 0.00 C ATOM 0 H THR A 36 3.666 -11.571 -4.067 1.00 0.00 H new ATOM 0 HA THR A 36 5.002 -14.148 -4.465 1.00 0.00 H new ATOM 0 HB THR A 36 3.929 -13.975 -6.762 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.984 -12.225 -6.018 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.668 -14.544 -5.955 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.932 -15.321 -4.972 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.079 -13.887 -4.353 1.00 0.00 H new ATOM 604 N PRO A 37 6.701 -13.416 -6.285 1.00 0.00 N ATOM 605 CA PRO A 37 7.862 -12.948 -7.057 1.00 0.00 C ATOM 606 C PRO A 37 7.470 -12.141 -8.298 1.00 0.00 C ATOM 607 O PRO A 37 8.224 -11.280 -8.742 1.00 0.00 O ATOM 608 CB PRO A 37 8.577 -14.245 -7.455 1.00 0.00 C ATOM 609 CG PRO A 37 7.536 -15.307 -7.363 1.00 0.00 C ATOM 610 CD PRO A 37 6.609 -14.886 -6.261 1.00 0.00 C ATOM 0 HA PRO A 37 8.482 -12.267 -6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.983 -14.177 -8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.414 -14.454 -6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.999 -15.409 -8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.986 -16.276 -7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.590 -15.228 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.918 -15.293 -5.298 1.00 0.00 H new ATOM 618 N ALA A 38 6.285 -12.421 -8.844 1.00 0.00 N ATOM 619 CA ALA A 38 5.788 -11.718 -10.026 1.00 0.00 C ATOM 620 C ALA A 38 5.427 -10.272 -9.693 1.00 0.00 C ATOM 621 O ALA A 38 5.764 -9.351 -10.438 1.00 0.00 O ATOM 622 CB ALA A 38 4.583 -12.449 -10.598 1.00 0.00 C ATOM 0 H ALA A 38 5.650 -13.133 -8.484 1.00 0.00 H new ATOM 0 HA ALA A 38 6.580 -11.701 -10.774 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.220 -11.918 -11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.871 -13.462 -10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.793 -12.491 -9.848 1.00 0.00 H new ATOM 628 N GLU A 39 4.746 -10.086 -8.563 1.00 0.00 N ATOM 629 CA GLU A 39 4.339 -8.759 -8.109 1.00 0.00 C ATOM 630 C GLU A 39 5.544 -7.970 -7.599 1.00 0.00 C ATOM 631 O GLU A 39 5.631 -6.750 -7.778 1.00 0.00 O ATOM 632 CB GLU A 39 3.295 -8.887 -6.994 1.00 0.00 C ATOM 633 CG GLU A 39 1.913 -9.290 -7.487 1.00 0.00 C ATOM 634 CD GLU A 39 0.951 -9.571 -6.349 1.00 0.00 C ATOM 635 OE1 GLU A 39 0.713 -8.656 -5.532 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.437 -10.707 -6.274 1.00 0.00 O ATOM 0 H GLU A 39 4.463 -10.844 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 39 3.904 -8.224 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.641 -9.624 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.219 -7.935 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.508 -8.495 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.999 -10.178 -8.114 1.00 0.00 H new ATOM 643 N LEU A 40 6.477 -8.688 -6.975 1.00 0.00 N ATOM 644 CA LEU A 40 7.682 -8.085 -6.415 1.00 0.00 C ATOM 645 C LEU A 40 8.607 -7.547 -7.499 1.00 0.00 C ATOM 646 O LEU A 40 9.026 -6.397 -7.435 1.00 0.00 O ATOM 647 CB LEU A 40 8.437 -9.107 -5.563 1.00 0.00 C ATOM 648 CG LEU A 40 9.358 -8.507 -4.491 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.348 -9.355 -3.230 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.778 -8.370 -5.022 1.00 0.00 C ATOM 0 H LEU A 40 6.418 -9.698 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 40 7.365 -7.246 -5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.711 -9.757 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.035 -9.736 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 40 8.981 -7.515 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.008 -8.909 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.334 -9.404 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.695 -10.361 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.416 -7.943 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.157 -9.352 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.779 -7.716 -5.894 1.00 0.00 H new ATOM 662 N GLN A 41 8.919 -8.386 -8.486 1.00 0.00 N ATOM 663 CA GLN A 41 9.815 -8.009 -9.581 1.00 0.00 C ATOM 664 C GLN A 41 9.315 -6.786 -10.344 1.00 0.00 C ATOM 665 O GLN A 41 10.104 -6.078 -10.964 1.00 0.00 O ATOM 666 CB GLN A 41 9.990 -9.181 -10.546 1.00 0.00 C ATOM 667 CG GLN A 41 10.973 -10.231 -10.051 1.00 0.00 C ATOM 668 CD GLN A 41 12.410 -9.912 -10.413 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.881 -10.259 -11.494 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.117 -9.248 -9.505 1.00 0.00 N ATOM 0 H GLN A 41 8.562 -9.339 -8.550 1.00 0.00 H new ATOM 0 HA GLN A 41 10.775 -7.750 -9.135 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.021 -9.652 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.330 -8.801 -11.509 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.888 -10.319 -8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.704 -11.200 -10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.687 -8.979 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.090 -9.007 -9.693 1.00 0.00 H new ATOM 679 N GLU A 42 8.010 -6.543 -10.299 1.00 0.00 N ATOM 680 CA GLU A 42 7.429 -5.406 -10.997 1.00 0.00 C ATOM 681 C GLU A 42 7.713 -4.094 -10.261 1.00 0.00 C ATOM 682 O GLU A 42 8.321 -3.170 -10.819 1.00 0.00 O ATOM 683 CB GLU A 42 5.924 -5.608 -11.138 1.00 0.00 C ATOM 684 CG GLU A 42 5.519 -6.411 -12.365 1.00 0.00 C ATOM 685 CD GLU A 42 4.016 -6.579 -12.476 1.00 0.00 C ATOM 686 OE1 GLU A 42 3.484 -7.557 -11.911 1.00 0.00 O ATOM 687 OE2 GLU A 42 3.371 -5.731 -13.128 1.00 0.00 O ATOM 0 H GLU A 42 7.338 -7.116 -9.789 1.00 0.00 H new ATOM 0 HA GLU A 42 7.886 -5.341 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.551 -6.113 -10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.439 -4.633 -11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.893 -5.915 -13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.990 -7.393 -12.325 1.00 0.00 H new ATOM 694 N VAL A 43 7.306 -4.029 -8.989 1.00 0.00 N ATOM 695 CA VAL A 43 7.510 -2.825 -8.183 1.00 0.00 C ATOM 696 C VAL A 43 8.991 -2.643 -7.827 1.00 0.00 C ATOM 697 O VAL A 43 9.440 -1.531 -7.551 1.00 0.00 O ATOM 698 CB VAL A 43 6.619 -2.826 -6.908 1.00 0.00 C ATOM 699 CG1 VAL A 43 6.834 -4.075 -6.076 1.00 0.00 C ATOM 700 CG2 VAL A 43 6.849 -1.577 -6.063 1.00 0.00 C ATOM 0 H VAL A 43 6.837 -4.791 -8.500 1.00 0.00 H new ATOM 0 HA VAL A 43 7.204 -1.972 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 43 5.583 -2.821 -7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.194 -4.039 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.585 -4.955 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.877 -4.130 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.210 -1.612 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.893 -1.534 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.608 -0.691 -6.650 1.00 0.00 H new ATOM 710 N LEU A 44 9.753 -3.733 -7.859 1.00 0.00 N ATOM 711 CA LEU A 44 11.181 -3.669 -7.566 1.00 0.00 C ATOM 712 C LEU A 44 11.944 -3.165 -8.785 1.00 0.00 C ATOM 713 O LEU A 44 13.019 -2.576 -8.658 1.00 0.00 O ATOM 714 CB LEU A 44 11.713 -5.039 -7.147 1.00 0.00 C ATOM 715 CG LEU A 44 13.029 -5.010 -6.371 1.00 0.00 C ATOM 716 CD1 LEU A 44 12.768 -4.803 -4.888 1.00 0.00 C ATOM 717 CD2 LEU A 44 13.813 -6.291 -6.606 1.00 0.00 C ATOM 0 H LEU A 44 9.408 -4.666 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 44 11.329 -2.975 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.959 -5.534 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.849 -5.648 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 44 13.626 -4.173 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.716 -4.785 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.248 -3.857 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.152 -5.619 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.747 -6.254 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.224 -7.145 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.031 -6.394 -7.669 1.00 0.00 H new ATOM 729 N ASP A 45 11.374 -3.409 -9.966 1.00 0.00 N ATOM 730 CA ASP A 45 11.977 -2.976 -11.221 1.00 0.00 C ATOM 731 C ASP A 45 11.956 -1.455 -11.350 1.00 0.00 C ATOM 732 O ASP A 45 12.942 -0.862 -11.791 1.00 0.00 O ATOM 733 CB ASP A 45 11.246 -3.604 -12.409 1.00 0.00 C ATOM 734 CG ASP A 45 12.155 -3.810 -13.605 1.00 0.00 C ATOM 735 OD1 ASP A 45 12.828 -4.861 -13.665 1.00 0.00 O ATOM 736 OD2 ASP A 45 12.195 -2.921 -14.481 1.00 0.00 O ATOM 0 H ASP A 45 10.491 -3.907 -10.076 1.00 0.00 H new ATOM 0 HA ASP A 45 13.015 -3.307 -11.221 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.825 -4.563 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.411 -2.965 -12.697 1.00 0.00 H new ATOM 741 N LEU A 46 10.829 -0.828 -10.975 1.00 0.00 N ATOM 742 CA LEU A 46 10.701 0.633 -11.054 1.00 0.00 C ATOM 743 C LEU A 46 11.841 1.338 -10.319 1.00 0.00 C ATOM 744 O LEU A 46 12.351 0.843 -9.311 1.00 0.00 O ATOM 745 CB LEU A 46 9.361 1.125 -10.495 1.00 0.00 C ATOM 746 CG LEU A 46 8.314 0.061 -10.164 1.00 0.00 C ATOM 747 CD1 LEU A 46 7.448 0.525 -9.008 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.451 -0.234 -11.380 1.00 0.00 C ATOM 0 H LEU A 46 10.002 -1.306 -10.618 1.00 0.00 H new ATOM 0 HA LEU A 46 10.750 0.884 -12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.561 1.696 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.926 1.815 -11.217 1.00 0.00 H new ATOM 0 HG LEU A 46 8.829 -0.855 -9.875 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.705 -0.240 -8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.073 0.697 -8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.943 1.451 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.712 -0.993 -11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.942 0.677 -11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.080 -0.597 -12.193 1.00 0.00 H new ATOM 760 N LYS A 47 12.226 2.505 -10.829 1.00 0.00 N ATOM 761 CA LYS A 47 13.318 3.274 -10.243 1.00 0.00 C ATOM 762 C LYS A 47 12.826 4.542 -9.549 1.00 0.00 C ATOM 763 O LYS A 47 13.496 5.059 -8.656 1.00 0.00 O ATOM 764 CB LYS A 47 14.332 3.639 -11.325 1.00 0.00 C ATOM 765 CG LYS A 47 15.234 2.484 -11.726 1.00 0.00 C ATOM 766 CD LYS A 47 16.279 2.919 -12.738 1.00 0.00 C ATOM 767 CE LYS A 47 17.185 1.764 -13.129 1.00 0.00 C ATOM 768 NZ LYS A 47 18.226 2.184 -14.107 1.00 0.00 N ATOM 0 H LYS A 47 11.797 2.938 -11.647 1.00 0.00 H new ATOM 0 HA LYS A 47 13.788 2.647 -9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.798 3.996 -12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.949 4.465 -10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.728 2.083 -10.841 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.631 1.679 -12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.786 3.313 -13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.878 3.728 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.665 1.361 -12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.586 0.961 -13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.824 1.368 -14.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.768 2.545 -14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.814 2.932 -13.688 1.00 0.00 H new ATOM 782 N THR A 48 11.665 5.046 -9.952 1.00 0.00 N ATOM 783 CA THR A 48 11.127 6.262 -9.350 1.00 0.00 C ATOM 784 C THR A 48 10.187 5.933 -8.192 1.00 0.00 C ATOM 785 O THR A 48 9.364 5.025 -8.290 1.00 0.00 O ATOM 786 CB THR A 48 10.394 7.139 -10.384 1.00 0.00 C ATOM 787 OG1 THR A 48 9.605 6.320 -11.248 1.00 0.00 O ATOM 788 CG2 THR A 48 11.387 7.937 -11.213 1.00 0.00 C ATOM 0 H THR A 48 11.084 4.638 -10.684 1.00 0.00 H new ATOM 0 HA THR A 48 11.977 6.826 -8.967 1.00 0.00 H new ATOM 0 HB THR A 48 9.747 7.832 -9.846 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.141 6.885 -11.901 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.848 8.549 -11.936 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.973 8.581 -10.558 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.053 7.254 -11.740 1.00 0.00 H new ATOM 796 N PRO A 49 10.295 6.692 -7.088 1.00 0.00 N ATOM 797 CA PRO A 49 9.482 6.482 -5.875 1.00 0.00 C ATOM 798 C PRO A 49 7.988 6.740 -6.080 1.00 0.00 C ATOM 799 O PRO A 49 7.163 6.257 -5.303 1.00 0.00 O ATOM 800 CB PRO A 49 10.068 7.494 -4.883 1.00 0.00 C ATOM 801 CG PRO A 49 10.693 8.545 -5.731 1.00 0.00 C ATOM 802 CD PRO A 49 11.215 7.833 -6.943 1.00 0.00 C ATOM 0 HA PRO A 49 9.528 5.444 -5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.292 7.913 -4.242 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.803 7.025 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.965 9.308 -6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.498 9.051 -5.198 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.201 8.475 -7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.245 7.504 -6.804 1.00 0.00 H new ATOM 810 N GLU A 50 7.647 7.498 -7.122 1.00 0.00 N ATOM 811 CA GLU A 50 6.252 7.821 -7.419 1.00 0.00 C ATOM 812 C GLU A 50 5.447 6.569 -7.774 1.00 0.00 C ATOM 813 O GLU A 50 4.393 6.317 -7.188 1.00 0.00 O ATOM 814 CB GLU A 50 6.178 8.843 -8.555 1.00 0.00 C ATOM 815 CG GLU A 50 6.538 10.257 -8.124 1.00 0.00 C ATOM 816 CD GLU A 50 6.431 11.255 -9.259 1.00 0.00 C ATOM 817 OE1 GLU A 50 7.434 11.442 -9.980 1.00 0.00 O ATOM 818 OE2 GLU A 50 5.346 11.849 -9.427 1.00 0.00 O ATOM 0 H GLU A 50 8.319 7.900 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 50 5.810 8.253 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.850 8.534 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.169 8.843 -8.968 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.880 10.564 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.555 10.266 -7.731 1.00 0.00 H new ATOM 825 N GLU A 51 5.943 5.785 -8.731 1.00 0.00 N ATOM 826 CA GLU A 51 5.259 4.563 -9.139 1.00 0.00 C ATOM 827 C GLU A 51 5.422 3.462 -8.088 1.00 0.00 C ATOM 828 O GLU A 51 4.553 2.608 -7.960 1.00 0.00 O ATOM 829 CB GLU A 51 5.722 4.075 -10.520 1.00 0.00 C ATOM 830 CG GLU A 51 7.215 4.192 -10.766 1.00 0.00 C ATOM 831 CD GLU A 51 7.577 3.941 -12.216 1.00 0.00 C ATOM 832 OE1 GLU A 51 7.571 2.765 -12.633 1.00 0.00 O ATOM 833 OE2 GLU A 51 7.853 4.920 -12.939 1.00 0.00 O ATOM 0 H GLU A 51 6.810 5.974 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 51 4.199 4.804 -9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.429 3.032 -10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.196 4.644 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.553 5.187 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.743 3.479 -10.133 1.00 0.00 H new ATOM 840 N GLN A 52 6.555 3.467 -7.365 1.00 0.00 N ATOM 841 CA GLN A 52 6.814 2.477 -6.311 1.00 0.00 C ATOM 842 C GLN A 52 5.670 2.430 -5.295 1.00 0.00 C ATOM 843 O GLN A 52 5.139 1.358 -4.998 1.00 0.00 O ATOM 844 CB GLN A 52 8.127 2.796 -5.594 1.00 0.00 C ATOM 845 CG GLN A 52 9.358 2.624 -6.470 1.00 0.00 C ATOM 846 CD GLN A 52 10.481 1.901 -5.763 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.312 2.517 -5.096 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.511 0.586 -5.905 1.00 0.00 N ATOM 0 H GLN A 52 7.305 4.147 -7.493 1.00 0.00 H new ATOM 0 HA GLN A 52 6.889 1.499 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.092 3.823 -5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.220 2.151 -4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.085 2.071 -7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.709 3.604 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.801 0.117 -6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.244 0.041 -5.452 1.00 0.00 H new ATOM 857 N ALA A 53 5.292 3.598 -4.769 1.00 0.00 N ATOM 858 CA ALA A 53 4.204 3.684 -3.799 1.00 0.00 C ATOM 859 C ALA A 53 2.871 3.357 -4.459 1.00 0.00 C ATOM 860 O ALA A 53 2.053 2.640 -3.889 1.00 0.00 O ATOM 861 CB ALA A 53 4.155 5.067 -3.162 1.00 0.00 C ATOM 0 H ALA A 53 5.723 4.493 -4.999 1.00 0.00 H new ATOM 0 HA ALA A 53 4.391 2.951 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.337 5.108 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.097 5.266 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.996 5.818 -3.935 1.00 0.00 H new ATOM 867 N LYS A 54 2.673 3.879 -5.673 1.00 0.00 N ATOM 868 CA LYS A 54 1.445 3.644 -6.435 1.00 0.00 C ATOM 869 C LYS A 54 1.246 2.155 -6.724 1.00 0.00 C ATOM 870 O LYS A 54 0.116 1.683 -6.815 1.00 0.00 O ATOM 871 CB LYS A 54 1.484 4.428 -7.749 1.00 0.00 C ATOM 872 CG LYS A 54 0.115 4.893 -8.223 1.00 0.00 C ATOM 873 CD LYS A 54 0.206 5.709 -9.503 1.00 0.00 C ATOM 874 CE LYS A 54 -1.171 6.162 -9.966 1.00 0.00 C ATOM 875 NZ LYS A 54 -1.109 6.950 -11.228 1.00 0.00 N ATOM 0 H LYS A 54 3.353 4.471 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 54 0.605 3.988 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.130 5.297 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.934 3.804 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.525 4.027 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.355 5.492 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.842 6.579 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.678 5.113 -10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.807 5.290 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.635 6.765 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.069 7.237 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.523 7.797 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.691 6.367 -11.981 1.00 0.00 H new ATOM 889 N LYS A 55 2.355 1.429 -6.864 1.00 0.00 N ATOM 890 CA LYS A 55 2.321 -0.004 -7.136 1.00 0.00 C ATOM 891 C LYS A 55 1.813 -0.772 -5.929 1.00 0.00 C ATOM 892 O LYS A 55 0.974 -1.658 -6.063 1.00 0.00 O ATOM 893 CB LYS A 55 3.709 -0.507 -7.535 1.00 0.00 C ATOM 894 CG LYS A 55 3.744 -1.143 -8.915 1.00 0.00 C ATOM 895 CD LYS A 55 3.656 -0.091 -10.010 1.00 0.00 C ATOM 896 CE LYS A 55 3.167 -0.678 -11.323 1.00 0.00 C ATOM 897 NZ LYS A 55 3.189 0.332 -12.415 1.00 0.00 N ATOM 0 H LYS A 55 3.296 1.817 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 55 1.635 -0.174 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.411 0.326 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.050 -1.235 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.664 -1.716 -9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.917 -1.846 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.981 0.705 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.636 0.362 -10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.793 -1.527 -11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.153 -1.057 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.849 -0.102 -13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.572 1.130 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.161 0.675 -12.551 1.00 0.00 H new ATOM 911 N LEU A 56 2.307 -0.413 -4.751 1.00 0.00 N ATOM 912 CA LEU A 56 1.897 -1.075 -3.520 1.00 0.00 C ATOM 913 C LEU A 56 0.440 -0.789 -3.196 1.00 0.00 C ATOM 914 O LEU A 56 -0.301 -1.693 -2.816 1.00 0.00 O ATOM 915 CB LEU A 56 2.769 -0.625 -2.363 1.00 0.00 C ATOM 916 CG LEU A 56 2.826 -1.597 -1.186 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.051 -2.491 -1.294 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.826 -0.837 0.132 1.00 0.00 C ATOM 0 H LEU A 56 2.991 0.332 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 56 2.014 -2.148 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.782 -0.463 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.403 0.337 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 56 1.939 -2.230 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.076 -3.177 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.005 -3.061 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.951 -1.877 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.867 -1.545 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.695 -0.180 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.916 -0.241 0.208 1.00 0.00 H new ATOM 930 N ILE A 57 0.035 0.474 -3.340 1.00 0.00 N ATOM 931 CA ILE A 57 -1.344 0.866 -3.072 1.00 0.00 C ATOM 932 C ILE A 57 -2.287 0.190 -4.069 1.00 0.00 C ATOM 933 O ILE A 57 -3.457 -0.053 -3.773 1.00 0.00 O ATOM 934 CB ILE A 57 -1.525 2.402 -3.123 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.574 3.081 -2.136 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.963 2.788 -2.806 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.235 4.505 -2.509 1.00 0.00 C ATOM 0 H ILE A 57 0.641 1.238 -3.639 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.591 0.538 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.290 2.738 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.025 3.071 -1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.347 2.501 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.066 3.872 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.632 2.331 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.222 2.437 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.443 4.924 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.245 4.520 -3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.148 5.099 -2.543 1.00 0.00 H new ATOM 949 N ASP A 58 -1.754 -0.134 -5.244 1.00 0.00 N ATOM 950 CA ASP A 58 -2.524 -0.802 -6.283 1.00 0.00 C ATOM 951 C ASP A 58 -2.659 -2.287 -5.970 1.00 0.00 C ATOM 952 O ASP A 58 -3.636 -2.924 -6.360 1.00 0.00 O ATOM 953 CB ASP A 58 -1.848 -0.617 -7.644 1.00 0.00 C ATOM 954 CG ASP A 58 -2.844 -0.492 -8.781 1.00 0.00 C ATOM 955 OD1 ASP A 58 -3.271 0.644 -9.074 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.193 -1.531 -9.383 1.00 0.00 O ATOM 0 H ASP A 58 -0.785 0.058 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.518 -0.357 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.222 0.275 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.189 -1.464 -7.836 1.00 0.00 H new ATOM 961 N PHE A 59 -1.679 -2.831 -5.248 1.00 0.00 N ATOM 962 CA PHE A 59 -1.695 -4.245 -4.891 1.00 0.00 C ATOM 963 C PHE A 59 -2.597 -4.515 -3.686 1.00 0.00 C ATOM 964 O PHE A 59 -3.243 -5.559 -3.611 1.00 0.00 O ATOM 965 CB PHE A 59 -0.271 -4.739 -4.615 1.00 0.00 C ATOM 966 CG PHE A 59 0.531 -4.975 -5.864 1.00 0.00 C ATOM 967 CD1 PHE A 59 -0.023 -5.647 -6.941 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.834 -4.513 -5.965 1.00 0.00 C ATOM 969 CE1 PHE A 59 0.705 -5.856 -8.095 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.568 -4.717 -7.120 1.00 0.00 C ATOM 971 CZ PHE A 59 2.001 -5.389 -8.186 1.00 0.00 C ATOM 0 H PHE A 59 -0.870 -2.316 -4.902 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.105 -4.796 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.245 -4.008 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.320 -5.666 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.037 -6.012 -6.877 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.281 -3.988 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.261 -6.384 -8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.582 -4.352 -7.188 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.571 -5.549 -9.089 1.00 0.00 H new ATOM 981 N ILE A 60 -2.654 -3.567 -2.753 1.00 0.00 N ATOM 982 CA ILE A 60 -3.476 -3.721 -1.553 1.00 0.00 C ATOM 983 C ILE A 60 -4.950 -3.401 -1.818 1.00 0.00 C ATOM 984 O ILE A 60 -5.837 -3.983 -1.194 1.00 0.00 O ATOM 985 CB ILE A 60 -2.962 -2.835 -0.392 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.817 -1.379 -0.837 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.631 -3.356 0.121 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.899 -0.467 -0.304 1.00 0.00 C ATOM 0 H ILE A 60 -2.142 -2.686 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.395 -4.769 -1.265 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.695 -2.877 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.846 -1.004 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.825 -1.339 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.282 -2.723 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.755 -4.377 0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.899 -3.342 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.728 0.548 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.872 -0.815 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.878 -0.475 0.786 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.206 -2.480 -2.748 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.574 -2.086 -3.082 1.00 0.00 C ATOM 1002 C LEU A 61 -7.225 -3.084 -4.035 1.00 0.00 C ATOM 1003 O LEU A 61 -8.428 -3.021 -4.288 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.596 -0.690 -3.708 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.879 0.106 -3.462 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.851 0.748 -2.084 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.069 1.162 -4.540 1.00 0.00 C ATOM 0 H LEU A 61 -4.485 -1.994 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.144 -2.073 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.752 -0.120 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.447 -0.787 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.724 -0.582 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.771 1.310 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.764 -0.028 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.997 1.422 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.987 1.717 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.221 1.847 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.135 0.679 -5.515 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.425 -4.009 -4.554 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.920 -5.009 -5.489 1.00 0.00 C ATOM 1021 C LYS A 62 -7.247 -6.324 -4.793 1.00 0.00 C ATOM 1022 O LYS A 62 -7.950 -7.167 -5.347 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.889 -5.251 -6.585 1.00 0.00 C ATOM 1024 CG LYS A 62 -6.508 -5.559 -7.931 1.00 0.00 C ATOM 1025 CD LYS A 62 -5.447 -5.749 -8.998 1.00 0.00 C ATOM 1026 CE LYS A 62 -6.068 -6.116 -10.332 1.00 0.00 C ATOM 1027 NZ LYS A 62 -6.683 -4.935 -10.995 1.00 0.00 N ATOM 0 H LYS A 62 -5.430 -4.086 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.841 -4.624 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.254 -4.370 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.244 -6.079 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.116 -6.461 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.176 -4.748 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.867 -4.833 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.754 -6.531 -8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.306 -6.543 -10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.826 -6.885 -10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.097 -5.224 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.428 -4.543 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.954 -4.212 -11.161 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.738 -6.499 -3.578 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.976 -7.724 -2.830 1.00 0.00 C ATOM 1043 C LEU A 63 -8.241 -7.629 -1.985 1.00 0.00 C ATOM 1044 O LEU A 63 -8.899 -6.588 -1.936 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.773 -8.045 -1.947 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.521 -8.500 -2.698 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.286 -8.302 -1.837 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.648 -9.956 -3.124 1.00 0.00 C ATOM 0 H LEU A 63 -6.161 -5.811 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.118 -8.531 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.525 -7.160 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.058 -8.825 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.419 -7.890 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.403 -8.631 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.184 -7.247 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.383 -8.886 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.747 -10.259 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.777 -10.583 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.512 -10.069 -3.779 1.00 0.00 H new ATOM 1060 N SER A 64 -8.570 -8.731 -1.320 1.00 0.00 N ATOM 1061 CA SER A 64 -9.755 -8.804 -0.476 1.00 0.00 C ATOM 1062 C SER A 64 -9.524 -8.106 0.869 1.00 0.00 C ATOM 1063 O SER A 64 -8.387 -7.826 1.243 1.00 0.00 O ATOM 1064 CB SER A 64 -10.134 -10.273 -0.259 1.00 0.00 C ATOM 1065 OG SER A 64 -10.446 -10.905 -1.488 1.00 0.00 O ATOM 0 H SER A 64 -8.026 -9.593 -1.351 1.00 0.00 H new ATOM 0 HA SER A 64 -10.573 -8.287 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.309 -10.797 0.224 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.989 -10.336 0.414 1.00 0.00 H new ATOM 0 HG SER A 64 -10.683 -11.842 -1.323 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.612 -7.799 1.606 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.533 -7.138 2.921 1.00 0.00 C ATOM 1073 C PRO A 65 -9.692 -7.915 3.945 1.00 0.00 C ATOM 1074 O PRO A 65 -9.132 -7.326 4.868 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.993 -7.066 3.374 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.792 -7.155 2.120 1.00 0.00 C ATOM 1077 CD PRO A 65 -12.012 -8.042 1.201 1.00 0.00 C ATOM 0 HA PRO A 65 -10.041 -6.168 2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.235 -7.882 4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.196 -6.136 3.906 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.782 -7.568 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.940 -6.169 1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.290 -9.089 1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.179 -7.785 0.155 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.621 -9.237 3.785 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.848 -10.085 4.693 1.00 0.00 C ATOM 1087 C ALA A 66 -7.345 -9.931 4.454 1.00 0.00 C ATOM 1088 O ALA A 66 -6.533 -10.222 5.333 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.264 -11.539 4.525 1.00 0.00 C ATOM 0 H ALA A 66 -10.090 -9.744 3.034 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.056 -9.768 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.684 -12.164 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.325 -11.643 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.081 -11.853 3.497 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.989 -9.468 3.255 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.590 -9.268 2.877 1.00 0.00 C ATOM 1097 C ASP A 67 -5.000 -8.021 3.533 1.00 0.00 C ATOM 1098 O ASP A 67 -3.861 -8.037 4.003 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.477 -9.151 1.355 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.608 -10.493 0.664 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -4.578 -11.180 0.501 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -6.741 -10.857 0.283 1.00 0.00 O ATOM 0 H ASP A 67 -7.657 -9.223 2.524 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.024 -10.131 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.251 -8.478 0.986 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.517 -8.704 1.097 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.784 -6.942 3.569 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.331 -5.681 4.157 1.00 0.00 C ATOM 1109 C VAL A 68 -5.310 -5.744 5.684 1.00 0.00 C ATOM 1110 O VAL A 68 -4.495 -5.076 6.319 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.193 -4.472 3.714 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.822 -4.027 2.308 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.681 -4.784 3.801 1.00 0.00 C ATOM 0 H VAL A 68 -6.734 -6.916 3.199 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.316 -5.535 3.786 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.984 -3.653 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.441 -3.177 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.772 -3.736 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.987 -4.849 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.255 -3.913 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.914 -5.629 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.941 -5.033 4.830 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.222 -6.535 6.260 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.336 -6.686 7.716 1.00 0.00 C ATOM 1125 C GLN A 69 -4.992 -7.008 8.376 1.00 0.00 C ATOM 1126 O GLN A 69 -4.671 -6.469 9.435 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.352 -7.784 8.052 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.076 -7.562 9.372 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.199 -6.550 9.255 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.320 -6.893 8.884 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.901 -5.295 9.568 1.00 0.00 N ATOM 0 H GLN A 69 -6.899 -7.087 5.733 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.676 -5.729 8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.087 -7.844 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.838 -8.745 8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.481 -8.511 9.724 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.362 -7.222 10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.957 -5.055 9.871 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.616 -4.570 9.505 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.210 -7.875 7.734 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.904 -8.279 8.251 1.00 0.00 C ATOM 1142 C ALA A 70 -1.902 -7.123 8.224 1.00 0.00 C ATOM 1143 O ALA A 70 -1.096 -6.969 9.145 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.376 -9.459 7.446 1.00 0.00 C ATOM 0 H ALA A 70 -4.461 -8.314 6.848 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.029 -8.576 9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.402 -9.758 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.071 -10.295 7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.277 -9.170 6.400 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.969 -6.307 7.171 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.067 -5.164 7.010 1.00 0.00 C ATOM 1152 C ARG A 71 -1.420 -4.026 7.961 1.00 0.00 C ATOM 1153 O ARG A 71 -0.535 -3.331 8.455 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.122 -4.645 5.579 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.462 -5.556 4.560 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.732 -5.071 3.147 1.00 0.00 C ATOM 1157 NE ARG A 71 0.091 -5.757 2.152 1.00 0.00 N ATOM 1158 CZ ARG A 71 -0.400 -6.508 1.167 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -1.710 -6.678 1.034 1.00 0.00 N ATOM 1160 NH2 ARG A 71 0.424 -7.083 0.305 1.00 0.00 N ATOM 0 H ARG A 71 -2.642 -6.417 6.413 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.061 -5.513 7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.165 -4.499 5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.642 -3.667 5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.613 -5.590 4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.837 -6.573 4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.785 -5.222 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.544 -3.999 3.092 1.00 0.00 H new ATOM 0 HE ARG A 71 1.104 -5.654 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.351 -6.232 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.075 -7.255 0.276 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.431 -6.950 0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.052 -7.659 -0.450 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.716 -3.825 8.200 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.170 -2.766 9.098 1.00 0.00 C ATOM 1176 C ILE A 72 -2.714 -3.057 10.529 1.00 0.00 C ATOM 1177 O ILE A 72 -2.427 -2.140 11.300 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.714 -2.604 9.059 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.176 -2.186 7.661 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.184 -1.579 10.087 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.544 -2.718 7.289 1.00 0.00 C ATOM 0 H ILE A 72 -3.466 -4.379 7.786 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.726 -1.831 8.757 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.156 -3.570 9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.191 -1.098 7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.448 -2.534 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.269 -1.486 10.038 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.893 -1.905 11.085 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.727 -0.613 9.873 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.805 -2.381 6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.530 -3.808 7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.284 -2.348 7.999 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.626 -4.346 10.860 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.204 -4.781 12.190 1.00 0.00 C ATOM 1195 C ASN A 73 -0.739 -4.438 12.462 1.00 0.00 C ATOM 1196 O ASN A 73 -0.411 -3.904 13.522 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.412 -6.290 12.344 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.868 -6.664 12.549 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.663 -5.872 13.056 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.227 -7.881 12.155 1.00 0.00 N ATOM 0 H ASN A 73 -2.843 -5.110 10.220 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.818 -4.248 12.916 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.033 -6.797 11.457 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.827 -6.648 13.191 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.193 -8.190 12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.537 -8.507 11.739 1.00 0.00 H new ATOM 1207 N VAL A 74 0.140 -4.750 11.508 1.00 0.00 N ATOM 1208 CA VAL A 74 1.567 -4.472 11.672 1.00 0.00 C ATOM 1209 C VAL A 74 1.876 -2.985 11.513 1.00 0.00 C ATOM 1210 O VAL A 74 2.727 -2.450 12.216 1.00 0.00 O ATOM 1211 CB VAL A 74 2.447 -5.285 10.690 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.626 -6.714 11.182 1.00 0.00 C ATOM 1213 CG2 VAL A 74 1.864 -5.273 9.286 1.00 0.00 C ATOM 0 H VAL A 74 -0.108 -5.191 10.622 1.00 0.00 H new ATOM 0 HA VAL A 74 1.812 -4.781 12.688 1.00 0.00 H new ATOM 0 HB VAL A 74 3.426 -4.808 10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.247 -7.266 10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.107 -6.705 12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.652 -7.196 11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.505 -5.852 8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.867 -5.712 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.802 -4.246 8.927 1.00 0.00 H new ATOM 1223 N LEU A 75 1.170 -2.322 10.596 1.00 0.00 N ATOM 1224 CA LEU A 75 1.377 -0.896 10.331 1.00 0.00 C ATOM 1225 C LEU A 75 1.156 -0.040 11.575 1.00 0.00 C ATOM 1226 O LEU A 75 1.912 0.896 11.829 1.00 0.00 O ATOM 1227 CB LEU A 75 0.444 -0.432 9.209 1.00 0.00 C ATOM 1228 CG LEU A 75 1.032 0.620 8.269 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.183 0.031 7.470 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.039 1.164 7.337 1.00 0.00 C ATOM 0 H LEU A 75 0.446 -2.752 10.021 1.00 0.00 H new ATOM 0 HA LEU A 75 2.416 -0.769 10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.151 -1.300 8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.465 -0.029 9.657 1.00 0.00 H new ATOM 0 HG LEU A 75 1.413 1.445 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.591 0.792 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.962 -0.311 8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.822 -0.811 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.399 1.911 6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.451 0.349 6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.835 1.622 7.925 1.00 0.00 H new ATOM 1242 N ARG A 76 0.135 -0.377 12.355 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.194 0.374 13.565 1.00 0.00 C ATOM 1244 C ARG A 76 0.885 0.246 14.645 1.00 0.00 C ATOM 1245 O ARG A 76 1.235 1.229 15.298 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.538 -0.103 14.124 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.733 0.276 13.259 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.360 1.584 13.710 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.515 1.950 12.889 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.519 2.710 13.320 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -5.515 3.177 14.562 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.527 3.009 12.509 1.00 0.00 N ATOM 0 H ARG A 76 -0.482 -1.168 12.172 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.254 1.426 13.285 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.511 -1.187 14.235 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.676 0.316 15.121 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.417 0.363 12.220 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.478 -0.518 13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.668 1.498 14.752 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.615 2.378 13.663 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.553 1.602 11.931 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.742 2.954 15.188 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.285 3.759 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.534 2.656 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.295 3.592 12.843 1.00 0.00 H new ATOM 1266 N ALA A 77 1.418 -0.964 14.817 1.00 0.00 N ATOM 1267 CA ALA A 77 2.423 -1.223 15.849 1.00 0.00 C ATOM 1268 C ALA A 77 3.862 -0.947 15.400 1.00 0.00 C ATOM 1269 O ALA A 77 4.753 -0.821 16.241 1.00 0.00 O ATOM 1270 CB ALA A 77 2.295 -2.656 16.336 1.00 0.00 C ATOM 0 H ALA A 77 1.171 -1.779 14.256 1.00 0.00 H new ATOM 0 HA ALA A 77 2.222 -0.522 16.659 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.044 -2.847 17.104 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.300 -2.811 16.753 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.449 -3.339 15.501 1.00 0.00 H new ATOM 1276 N HIS A 78 4.097 -0.849 14.093 1.00 0.00 N ATOM 1277 CA HIS A 78 5.451 -0.610 13.581 1.00 0.00 C ATOM 1278 C HIS A 78 5.800 0.879 13.523 1.00 0.00 C ATOM 1279 O HIS A 78 6.875 1.250 13.051 1.00 0.00 O ATOM 1280 CB HIS A 78 5.627 -1.248 12.199 1.00 0.00 C ATOM 1281 CG HIS A 78 6.104 -2.670 12.268 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.431 -3.028 12.149 1.00 0.00 N ATOM 1283 CD2 HIS A 78 5.424 -3.825 12.467 1.00 0.00 C ATOM 1284 CE1 HIS A 78 7.545 -4.339 12.279 1.00 0.00 C ATOM 1285 NE2 HIS A 78 6.342 -4.843 12.472 1.00 0.00 N ATOM 0 H HIS A 78 3.378 -0.930 13.374 1.00 0.00 H new ATOM 0 HA HIS A 78 6.141 -1.078 14.284 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.677 -1.214 11.665 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.339 -0.659 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.357 -3.925 12.597 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.466 -4.901 12.235 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.129 -5.832 12.604 1.00 0.00 H new ATOM 1294 N GLY A 79 4.896 1.726 14.006 1.00 0.00 N ATOM 1295 CA GLY A 79 5.150 3.159 14.012 1.00 0.00 C ATOM 1296 C GLY A 79 4.506 3.886 12.846 1.00 0.00 C ATOM 1297 O GLY A 79 4.591 5.110 12.753 1.00 0.00 O ATOM 0 H GLY A 79 3.994 1.449 14.393 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.779 3.583 14.945 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.226 3.331 13.989 1.00 0.00 H new ATOM 1301 N TYR A 80 3.862 3.134 11.958 1.00 0.00 N ATOM 1302 CA TYR A 80 3.196 3.716 10.793 1.00 0.00 C ATOM 1303 C TYR A 80 1.704 3.891 11.073 1.00 0.00 C ATOM 1304 O TYR A 80 0.854 3.609 10.226 1.00 0.00 O ATOM 1305 CB TYR A 80 3.417 2.830 9.564 1.00 0.00 C ATOM 1306 CG TYR A 80 4.869 2.704 9.160 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.705 1.787 9.786 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.407 3.505 8.162 1.00 0.00 C ATOM 1309 CE1 TYR A 80 7.033 1.671 9.427 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.736 3.395 7.796 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.545 2.477 8.434 1.00 0.00 C ATOM 1312 OH TYR A 80 8.868 2.362 8.079 1.00 0.00 O ATOM 0 H TYR A 80 3.786 2.119 12.022 1.00 0.00 H new ATOM 0 HA TYR A 80 3.625 4.698 10.591 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.018 1.836 9.767 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.850 3.237 8.727 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.309 1.154 10.567 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.777 4.226 7.663 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.668 0.951 9.923 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.138 4.024 7.016 1.00 0.00 H new ATOM 0 HH TYR A 80 9.199 3.229 7.763 1.00 0.00 H new ATOM 1322 N GLN A 81 1.414 4.361 12.283 1.00 0.00 N ATOM 1323 CA GLN A 81 0.047 4.589 12.755 1.00 0.00 C ATOM 1324 C GLN A 81 -0.708 5.582 11.870 1.00 0.00 C ATOM 1325 O GLN A 81 -1.827 5.304 11.438 1.00 0.00 O ATOM 1326 CB GLN A 81 0.086 5.101 14.198 1.00 0.00 C ATOM 1327 CG GLN A 81 -1.056 4.592 15.066 1.00 0.00 C ATOM 1328 CD GLN A 81 -2.282 5.482 14.999 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -2.404 6.449 15.749 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -3.199 5.159 14.096 1.00 0.00 N ATOM 0 H GLN A 81 2.127 4.598 12.973 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.487 3.640 12.708 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.033 4.807 14.652 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.063 6.191 14.187 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.326 3.584 14.750 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.718 4.523 16.100 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.058 4.348 13.493 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.045 5.722 14.004 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.087 6.738 11.615 1.00 0.00 N ATOM 1340 CA ALA A 82 -0.684 7.788 10.784 1.00 0.00 C ATOM 1341 C ALA A 82 -1.085 7.261 9.406 1.00 0.00 C ATOM 1342 O ALA A 82 -2.079 7.701 8.826 1.00 0.00 O ATOM 1343 CB ALA A 82 0.292 8.950 10.646 1.00 0.00 C ATOM 0 H ALA A 82 0.838 6.971 11.976 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.593 8.133 11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.155 9.729 10.028 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.518 9.355 11.633 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.212 8.599 10.179 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.305 6.311 8.900 1.00 0.00 N ATOM 1350 CA LEU A 83 -0.555 5.703 7.597 1.00 0.00 C ATOM 1351 C LEU A 83 -1.749 4.753 7.649 1.00 0.00 C ATOM 1352 O LEU A 83 -2.566 4.718 6.728 1.00 0.00 O ATOM 1353 CB LEU A 83 0.684 4.931 7.143 1.00 0.00 C ATOM 1354 CG LEU A 83 1.814 5.779 6.556 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.694 6.347 7.658 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.645 4.949 5.594 1.00 0.00 C ATOM 0 H LEU A 83 0.516 5.942 9.380 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.779 6.501 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.076 4.375 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.379 4.197 6.397 1.00 0.00 H new ATOM 0 HG LEU A 83 1.370 6.613 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.490 6.946 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.093 6.973 8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.131 5.530 8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.446 5.563 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.075 4.099 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.011 4.588 4.784 1.00 0.00 H new ATOM 1368 N ALA A 84 -1.844 3.994 8.743 1.00 0.00 N ATOM 1369 CA ALA A 84 -2.912 3.012 8.926 1.00 0.00 C ATOM 1370 C ALA A 84 -4.276 3.664 9.150 1.00 0.00 C ATOM 1371 O ALA A 84 -5.307 3.014 8.992 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.572 2.085 10.084 1.00 0.00 C ATOM 0 H ALA A 84 -1.187 4.043 9.522 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.984 2.436 8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.372 1.356 10.214 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.638 1.564 9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.461 2.669 10.997 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.279 4.940 9.522 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.523 5.666 9.755 1.00 0.00 C ATOM 1380 C ASP A 85 -6.088 6.220 8.448 1.00 0.00 C ATOM 1381 O ASP A 85 -7.300 6.388 8.304 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.290 6.805 10.748 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.533 7.131 11.552 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -6.779 6.443 12.565 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.261 8.071 11.167 1.00 0.00 O ATOM 0 H ASP A 85 -3.434 5.493 9.669 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.249 4.969 10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.482 6.532 11.427 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.966 7.694 10.208 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.198 6.485 7.494 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.594 7.031 6.201 1.00 0.00 C ATOM 1392 C LYS A 86 -6.207 5.966 5.290 1.00 0.00 C ATOM 1393 O LYS A 86 -7.260 6.190 4.692 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.386 7.674 5.512 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.739 8.894 4.677 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.500 9.548 4.090 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.863 10.725 3.202 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.176 11.946 3.995 1.00 0.00 N ATOM 0 H LYS A 86 -4.195 6.329 7.594 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.358 7.786 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.657 7.961 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.906 6.933 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.413 8.602 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.274 9.616 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.848 9.886 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.938 8.814 3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.037 10.936 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.723 10.463 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.190 12.161 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.934 11.783 4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.623 12.748 3.631 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.551 4.809 5.191 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.035 3.727 4.332 1.00 0.00 C ATOM 1414 C LEU A 87 -7.262 3.025 4.915 1.00 0.00 C ATOM 1415 O LEU A 87 -8.075 2.487 4.169 1.00 0.00 O ATOM 1416 CB LEU A 87 -4.921 2.703 4.062 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.132 2.231 5.288 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.701 0.928 5.826 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.664 2.056 4.934 1.00 0.00 C ATOM 0 H LEU A 87 -4.688 4.597 5.692 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.336 4.186 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.365 1.831 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.220 3.137 3.349 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.220 2.991 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.126 0.611 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.742 1.077 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.644 0.160 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.115 1.720 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.567 1.314 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.256 3.007 4.593 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.395 3.032 6.242 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.527 2.381 6.904 1.00 0.00 C ATOM 1433 C ASN A 88 -9.835 3.120 6.641 1.00 0.00 C ATOM 1434 O ASN A 88 -10.883 2.498 6.464 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.282 2.286 8.409 1.00 0.00 C ATOM 1436 CG ASN A 88 -8.968 1.086 9.033 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.108 1.173 9.488 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.273 -0.043 9.058 1.00 0.00 N ATOM 0 H ASN A 88 -6.735 3.480 6.878 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.615 1.378 6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.210 2.226 8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.639 3.196 8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.681 -0.884 9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.330 -0.070 8.669 1.00 0.00 H new ATOM 1445 N LYS A 89 -9.768 4.448 6.610 1.00 0.00 N ATOM 1446 CA LYS A 89 -10.952 5.264 6.378 1.00 0.00 C ATOM 1447 C LYS A 89 -11.369 5.226 4.912 1.00 0.00 C ATOM 1448 O LYS A 89 -12.560 5.195 4.601 1.00 0.00 O ATOM 1449 CB LYS A 89 -10.698 6.706 6.815 1.00 0.00 C ATOM 1450 CG LYS A 89 -11.944 7.412 7.318 1.00 0.00 C ATOM 1451 CD LYS A 89 -11.640 8.830 7.765 1.00 0.00 C ATOM 1452 CE LYS A 89 -12.903 9.549 8.205 1.00 0.00 C ATOM 1453 NZ LYS A 89 -12.622 10.938 8.660 1.00 0.00 N ATOM 0 H LYS A 89 -8.908 4.979 6.742 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.766 4.850 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.944 6.712 7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.287 7.265 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.695 7.432 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.370 6.851 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.925 8.810 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.171 9.379 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.613 9.575 7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.375 8.991 9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.510 11.394 8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.965 10.913 9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.195 11.479 7.881 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.383 5.231 4.018 1.00 0.00 N ATOM 1468 CA TYR A 90 -10.644 5.182 2.582 1.00 0.00 C ATOM 1469 C TYR A 90 -11.185 3.812 2.187 1.00 0.00 C ATOM 1470 O TYR A 90 -11.921 3.674 1.211 1.00 0.00 O ATOM 1471 CB TYR A 90 -9.358 5.474 1.808 1.00 0.00 C ATOM 1472 CG TYR A 90 -9.596 6.019 0.420 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -9.782 7.379 0.211 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -9.630 5.174 -0.682 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.003 7.880 -1.056 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -9.851 5.668 -1.951 1.00 0.00 C ATOM 1477 CZ TYR A 90 -10.033 7.021 -2.133 1.00 0.00 C ATOM 1478 OH TYR A 90 -10.251 7.519 -3.393 1.00 0.00 O ATOM 0 H TYR A 90 -9.394 5.269 4.264 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.390 5.938 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.759 6.189 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -8.773 4.557 1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.753 8.055 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.481 4.113 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.152 8.940 -1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.881 4.997 -2.797 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.241 6.784 -4.041 1.00 0.00 H new ATOM 1488 N LEU A 91 -10.813 2.808 2.971 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.231 1.434 2.739 1.00 0.00 C ATOM 1490 C LEU A 91 -12.720 1.243 3.034 1.00 0.00 C ATOM 1491 O LEU A 91 -13.419 0.540 2.305 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.393 0.510 3.618 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.828 -0.949 3.649 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.002 -1.769 2.670 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.695 -1.492 5.062 1.00 0.00 C ATOM 0 H LEU A 91 -10.212 2.925 3.787 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.076 1.192 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.359 0.554 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.409 0.896 4.637 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.873 -1.019 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.325 -2.810 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.140 -1.379 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.948 -1.707 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.007 -2.536 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.656 -1.418 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.326 -0.912 5.735 1.00 0.00 H new ATOM 1507 N THR A 92 -13.196 1.875 4.104 1.00 0.00 N ATOM 1508 CA THR A 92 -14.599 1.773 4.494 1.00 0.00 C ATOM 1509 C THR A 92 -15.403 2.984 4.023 1.00 0.00 C ATOM 1510 O THR A 92 -16.525 3.210 4.483 1.00 0.00 O ATOM 1511 CB THR A 92 -14.760 1.617 6.019 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.638 0.908 6.564 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.048 0.871 6.346 1.00 0.00 C ATOM 0 H THR A 92 -12.630 2.463 4.716 1.00 0.00 H new ATOM 0 HA THR A 92 -14.987 0.878 4.007 1.00 0.00 H new ATOM 0 HB THR A 92 -14.806 2.611 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.855 1.498 6.581 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.145 0.770 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.900 1.427 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.021 -0.119 5.890 1.00 0.00 H new ATOM 1521 N LEU A 93 -14.817 3.768 3.115 1.00 0.00 N ATOM 1522 CA LEU A 93 -15.478 4.956 2.574 1.00 0.00 C ATOM 1523 C LEU A 93 -16.870 4.618 2.051 1.00 0.00 C ATOM 1524 O LEU A 93 -17.830 5.348 2.302 1.00 0.00 O ATOM 1525 CB LEU A 93 -14.642 5.567 1.449 1.00 0.00 C ATOM 1526 CG LEU A 93 -14.867 7.062 1.218 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.036 7.882 2.191 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -14.531 7.436 -0.217 1.00 0.00 C ATOM 0 H LEU A 93 -13.884 3.600 2.739 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.576 5.680 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.587 5.403 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -14.860 5.034 0.523 1.00 0.00 H new ATOM 0 HG LEU A 93 -15.920 7.283 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.209 8.943 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -14.323 7.635 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.979 7.657 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -14.697 8.503 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -13.486 7.200 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.169 6.873 -0.899 1.00 0.00 H new