USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 568 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 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -4.33! C(o=-4.3!,f=-9.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 22:sc= 0.361! USER MOD Single : A 15 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-1.9) USER MOD Single : A 24 ASN : amide:sc=-0.00908 X(o=-0.0091,f=0) USER MOD Single : A 46 SER OG : rot -27:sc= 1.08 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.21) USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.58! C(o=-3.3!,f=-2.6!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.388 F(o=-0.97,f=-0.39) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 79 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.3) USER MOD Single : A 81 GLN : amide:sc=-0.00746 X(o=-0.0075,f=-0.27) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -95:sc= 1.19 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.099 -6.335 -0.059 1.00 0.00 N ATOM 67 CA LYS A 8 -13.163 -5.427 -1.191 1.00 0.00 C ATOM 68 C LYS A 8 -11.760 -4.897 -1.494 1.00 0.00 C ATOM 69 O LYS A 8 -10.897 -4.877 -0.617 1.00 0.00 O ATOM 70 CB LYS A 8 -14.195 -4.326 -0.937 1.00 0.00 C ATOM 71 CG LYS A 8 -15.239 -4.285 -2.054 1.00 0.00 C ATOM 72 CD LYS A 8 -16.566 -4.887 -1.587 1.00 0.00 C ATOM 73 CE LYS A 8 -17.473 -5.205 -2.777 1.00 0.00 C ATOM 74 NZ LYS A 8 -17.611 -6.668 -2.948 1.00 0.00 N ATOM 0 HA LYS A 8 -13.505 -5.953 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.688 -4.498 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.693 -3.361 -0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.395 -3.254 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.871 -4.834 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.376 -5.796 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.070 -4.190 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.455 -4.757 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.060 -4.764 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.230 -6.866 -3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.674 -7.088 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.026 -7.080 -2.088 1.00 0.00 H new ATOM 88 N SER A 9 -11.575 -4.480 -2.738 1.00 0.00 N ATOM 89 CA SER A 9 -10.292 -3.951 -3.167 1.00 0.00 C ATOM 90 C SER A 9 -10.426 -2.466 -3.511 1.00 0.00 C ATOM 91 O SER A 9 -11.264 -2.088 -4.328 1.00 0.00 O ATOM 92 CB SER A 9 -9.751 -4.727 -4.369 1.00 0.00 C ATOM 93 OG SER A 9 -10.414 -4.369 -5.579 1.00 0.00 O ATOM 0 H SER A 9 -12.293 -4.498 -3.463 1.00 0.00 H new ATOM 0 HA SER A 9 -9.584 -4.065 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.682 -4.538 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.870 -5.796 -4.193 1.00 0.00 H new ATOM 0 HG SER A 9 -10.816 -3.480 -5.481 1.00 0.00 H new ATOM 99 N LEU A 10 -9.588 -1.665 -2.870 1.00 0.00 N ATOM 100 CA LEU A 10 -9.603 -0.230 -3.098 1.00 0.00 C ATOM 101 C LEU A 10 -8.257 0.204 -3.681 1.00 0.00 C ATOM 102 O LEU A 10 -7.248 -0.476 -3.496 1.00 0.00 O ATOM 103 CB LEU A 10 -9.985 0.512 -1.816 1.00 0.00 C ATOM 104 CG LEU A 10 -10.943 -0.222 -0.875 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.080 0.519 0.456 1.00 0.00 C ATOM 106 CD2 LEU A 10 -12.299 -0.454 -1.545 1.00 0.00 C ATOM 0 H LEU A 10 -8.894 -1.982 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.367 0.031 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.072 0.741 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.438 1.464 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.521 -1.203 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.766 -0.024 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.104 0.588 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.468 1.522 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.961 -0.977 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.741 0.505 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.163 -1.056 -2.444 1.00 0.00 H new ATOM 118 N THR A 11 -8.284 1.333 -4.374 1.00 0.00 N ATOM 119 CA THR A 11 -7.078 1.865 -4.985 1.00 0.00 C ATOM 120 C THR A 11 -6.612 3.119 -4.242 1.00 0.00 C ATOM 121 O THR A 11 -7.429 3.939 -3.827 1.00 0.00 O ATOM 122 CB THR A 11 -7.368 2.109 -6.467 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.291 1.081 -6.815 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.152 1.834 -7.355 1.00 0.00 C ATOM 0 H THR A 11 -9.122 1.894 -4.526 1.00 0.00 H new ATOM 0 HA THR A 11 -6.252 1.157 -4.913 1.00 0.00 H new ATOM 0 HB THR A 11 -7.695 3.139 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.534 1.166 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.412 2.023 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.332 2.489 -7.062 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.845 0.794 -7.240 1.00 0.00 H new ATOM 132 N LEU A 12 -5.299 3.228 -4.097 1.00 0.00 N ATOM 133 CA LEU A 12 -4.715 4.368 -3.412 1.00 0.00 C ATOM 134 C LEU A 12 -3.478 4.840 -4.179 1.00 0.00 C ATOM 135 O LEU A 12 -2.643 4.029 -4.577 1.00 0.00 O ATOM 136 CB LEU A 12 -4.436 4.026 -1.946 1.00 0.00 C ATOM 137 CG LEU A 12 -4.913 2.651 -1.475 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.752 1.656 -1.423 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.642 2.754 -0.134 1.00 0.00 C ATOM 0 H LEU A 12 -4.624 2.546 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.417 5.202 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.361 4.093 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.906 4.785 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.630 2.270 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.118 0.687 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.316 1.553 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.993 2.019 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.971 1.763 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.967 3.166 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.508 3.407 -0.240 1.00 0.00 H new ATOM 151 N VAL A 13 -3.400 6.149 -4.364 1.00 0.00 N ATOM 152 CA VAL A 13 -2.280 6.739 -5.077 1.00 0.00 C ATOM 153 C VAL A 13 -1.260 7.269 -4.067 1.00 0.00 C ATOM 154 O VAL A 13 -1.563 8.175 -3.291 1.00 0.00 O ATOM 155 CB VAL A 13 -2.781 7.816 -6.041 1.00 0.00 C ATOM 156 CG1 VAL A 13 -1.613 8.596 -6.648 1.00 0.00 C ATOM 157 CG2 VAL A 13 -3.660 7.206 -7.135 1.00 0.00 C ATOM 0 H VAL A 13 -4.095 6.818 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.776 5.987 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.392 8.517 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.997 9.355 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.044 9.077 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.964 7.912 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.003 7.993 -7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.083 6.473 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.521 6.717 -6.679 1.00 0.00 H new ATOM 167 N LEU A 14 -0.073 6.683 -4.109 1.00 0.00 N ATOM 168 CA LEU A 14 0.993 7.085 -3.207 1.00 0.00 C ATOM 169 C LEU A 14 2.009 7.935 -3.972 1.00 0.00 C ATOM 170 O LEU A 14 2.140 7.807 -5.188 1.00 0.00 O ATOM 171 CB LEU A 14 1.606 5.861 -2.522 1.00 0.00 C ATOM 172 CG LEU A 14 0.641 4.992 -1.713 1.00 0.00 C ATOM 173 CD1 LEU A 14 1.388 3.865 -0.997 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.180 5.842 -0.742 1.00 0.00 C ATOM 0 H LEU A 14 0.175 5.932 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 14 0.598 7.706 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.072 5.238 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.401 6.201 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.060 4.526 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.679 3.262 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.891 3.237 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.127 4.292 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.858 5.200 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.490 6.355 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.758 6.578 -1.301 1.00 0.00 H new ATOM 186 N HIS A 15 2.703 8.783 -3.227 1.00 0.00 N ATOM 187 CA HIS A 15 3.704 9.654 -3.820 1.00 0.00 C ATOM 188 C HIS A 15 4.991 9.594 -2.995 1.00 0.00 C ATOM 189 O HIS A 15 5.015 8.999 -1.919 1.00 0.00 O ATOM 190 CB HIS A 15 3.163 11.077 -3.973 1.00 0.00 C ATOM 191 CG HIS A 15 1.830 11.156 -4.677 1.00 0.00 C ATOM 192 ND1 HIS A 15 1.696 11.017 -6.048 1.00 0.00 N ATOM 193 CD2 HIS A 15 0.574 11.360 -4.186 1.00 0.00 C ATOM 194 CE1 HIS A 15 0.413 11.134 -6.357 1.00 0.00 C ATOM 195 NE2 HIS A 15 -0.281 11.347 -5.202 1.00 0.00 N ATOM 0 H HIS A 15 2.592 8.886 -2.218 1.00 0.00 H new ATOM 0 HA HIS A 15 3.943 9.308 -4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.067 11.526 -2.985 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.890 11.673 -4.525 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.318 11.507 -3.147 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.009 11.072 -7.349 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.290 11.475 -5.131 1.00 0.00 H new ATOM 268 N LEU A 21 7.653 6.937 1.403 1.00 0.00 N ATOM 269 CA LEU A 21 6.261 6.768 1.022 1.00 0.00 C ATOM 270 C LEU A 21 5.366 7.425 2.074 1.00 0.00 C ATOM 271 O LEU A 21 4.301 7.948 1.750 1.00 0.00 O ATOM 272 CB LEU A 21 5.947 5.290 0.782 1.00 0.00 C ATOM 273 CG LEU A 21 6.422 4.712 -0.552 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.599 5.267 -1.716 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.921 4.945 -0.748 1.00 0.00 C ATOM 0 HA LEU A 21 6.061 7.270 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.395 4.708 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.868 5.152 0.851 1.00 0.00 H new ATOM 0 HG LEU A 21 6.263 3.634 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.958 4.839 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.550 5.006 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.702 6.352 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.233 4.524 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.127 6.015 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.473 4.462 0.058 1.00 0.00 H new ATOM 287 N GLY A 22 5.830 7.375 3.314 1.00 0.00 N ATOM 288 CA GLY A 22 5.084 7.959 4.416 1.00 0.00 C ATOM 289 C GLY A 22 4.356 6.878 5.219 1.00 0.00 C ATOM 290 O GLY A 22 3.261 7.110 5.728 1.00 0.00 O ATOM 0 H GLY A 22 6.713 6.939 3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.763 8.507 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.362 8.679 4.030 1.00 0.00 H new ATOM 294 N PHE A 23 4.995 5.720 5.306 1.00 0.00 N ATOM 295 CA PHE A 23 4.421 4.603 6.037 1.00 0.00 C ATOM 296 C PHE A 23 5.366 3.399 6.028 1.00 0.00 C ATOM 297 O PHE A 23 6.458 3.467 5.467 1.00 0.00 O ATOM 298 CB PHE A 23 3.122 4.222 5.326 1.00 0.00 C ATOM 299 CG PHE A 23 3.323 3.335 4.095 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.287 3.642 3.186 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.538 2.240 3.910 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.474 2.819 2.044 1.00 0.00 C ATOM 303 CE2 PHE A 23 2.725 1.417 2.768 1.00 0.00 C ATOM 304 CZ PHE A 23 3.689 1.724 1.859 1.00 0.00 C ATOM 0 H PHE A 23 5.904 5.532 4.883 1.00 0.00 H new ATOM 0 HA PHE A 23 4.247 4.888 7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.472 3.705 6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.604 5.133 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.910 4.512 3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.772 1.996 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.240 3.063 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.102 0.547 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.831 1.098 0.990 1.00 0.00 H new ATOM 314 N ASN A 24 4.910 2.326 6.657 1.00 0.00 N ATOM 315 CA ASN A 24 5.701 1.109 6.728 1.00 0.00 C ATOM 316 C ASN A 24 4.830 -0.084 6.331 1.00 0.00 C ATOM 317 O ASN A 24 3.671 0.087 5.956 1.00 0.00 O ATOM 318 CB ASN A 24 6.213 0.867 8.150 1.00 0.00 C ATOM 319 CG ASN A 24 7.742 0.830 8.183 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.418 1.817 7.944 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.247 -0.361 8.491 1.00 0.00 N ATOM 0 H ASN A 24 4.004 2.274 7.122 1.00 0.00 H new ATOM 0 HA ASN A 24 6.549 1.219 6.052 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.850 1.655 8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.815 -0.074 8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.258 -0.490 8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.624 -1.146 8.680 1.00 0.00 H new ATOM 328 N ILE A 25 5.421 -1.266 6.426 1.00 0.00 N ATOM 329 CA ILE A 25 4.714 -2.487 6.080 1.00 0.00 C ATOM 330 C ILE A 25 5.266 -3.645 6.914 1.00 0.00 C ATOM 331 O ILE A 25 6.354 -3.544 7.479 1.00 0.00 O ATOM 332 CB ILE A 25 4.774 -2.733 4.571 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.141 -2.340 4.006 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.629 -2.016 3.853 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.441 -3.106 2.716 1.00 0.00 C ATOM 0 H ILE A 25 6.382 -1.404 6.738 1.00 0.00 H new ATOM 0 HA ILE A 25 3.655 -2.395 6.322 1.00 0.00 H new ATOM 0 HB ILE A 25 4.647 -3.801 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.163 -1.268 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.916 -2.545 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.695 -2.207 2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.675 -2.386 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.700 -0.944 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.418 -2.808 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.442 -4.177 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.677 -2.879 1.972 1.00 0.00 H new ATOM 347 N ILE A 26 4.490 -4.717 6.966 1.00 0.00 N ATOM 348 CA ILE A 26 4.887 -5.893 7.722 1.00 0.00 C ATOM 349 C ILE A 26 4.754 -7.133 6.836 1.00 0.00 C ATOM 350 O ILE A 26 4.136 -7.078 5.774 1.00 0.00 O ATOM 351 CB ILE A 26 4.096 -5.983 9.029 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.733 -6.639 8.800 1.00 0.00 C ATOM 353 CG2 ILE A 26 3.967 -4.608 9.687 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.062 -6.986 10.130 1.00 0.00 C ATOM 0 H ILE A 26 3.588 -4.796 6.497 1.00 0.00 H new ATOM 0 HA ILE A 26 5.934 -5.821 8.015 1.00 0.00 H new ATOM 0 HB ILE A 26 4.648 -6.620 9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.093 -5.966 8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.856 -7.543 8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.401 -4.700 10.614 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.960 -4.215 9.906 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.448 -3.928 9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.095 -7.451 9.939 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.694 -7.678 10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.918 -6.076 10.713 1.00 0.00 H new ATOM 555 N GLY A 42 2.485 -12.236 3.374 1.00 0.00 N ATOM 556 CA GLY A 42 1.641 -11.166 2.871 1.00 0.00 C ATOM 557 C GLY A 42 2.226 -9.796 3.219 1.00 0.00 C ATOM 558 O GLY A 42 3.072 -9.685 4.105 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.538 -11.257 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.641 -11.257 3.295 1.00 0.00 H new ATOM 562 N ILE A 43 1.753 -8.786 2.503 1.00 0.00 N ATOM 563 CA ILE A 43 2.219 -7.428 2.725 1.00 0.00 C ATOM 564 C ILE A 43 1.083 -6.595 3.322 1.00 0.00 C ATOM 565 O ILE A 43 0.023 -6.456 2.712 1.00 0.00 O ATOM 566 CB ILE A 43 2.799 -6.843 1.436 1.00 0.00 C ATOM 567 CG1 ILE A 43 3.856 -7.774 0.839 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.344 -5.433 1.671 1.00 0.00 C ATOM 569 CD1 ILE A 43 4.866 -8.211 1.902 1.00 0.00 C ATOM 0 H ILE A 43 1.052 -8.881 1.769 1.00 0.00 H new ATOM 0 HA ILE A 43 3.035 -7.419 3.447 1.00 0.00 H new ATOM 0 HB ILE A 43 1.994 -6.760 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.372 -8.651 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.375 -7.266 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.750 -5.040 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.539 -4.785 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.131 -5.468 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.606 -8.872 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.366 -7.333 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.347 -8.740 2.702 1.00 0.00 H new ATOM 581 N PHE A 44 1.342 -6.062 4.507 1.00 0.00 N ATOM 582 CA PHE A 44 0.354 -5.246 5.193 1.00 0.00 C ATOM 583 C PHE A 44 0.990 -3.975 5.759 1.00 0.00 C ATOM 584 O PHE A 44 2.213 -3.874 5.845 1.00 0.00 O ATOM 585 CB PHE A 44 -0.195 -6.085 6.349 1.00 0.00 C ATOM 586 CG PHE A 44 -0.995 -7.311 5.903 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.348 -8.406 5.420 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.352 -7.305 5.988 1.00 0.00 C ATOM 589 CE1 PHE A 44 -1.091 -9.544 5.006 1.00 0.00 C ATOM 590 CE2 PHE A 44 -3.094 -8.443 5.574 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.448 -9.538 5.092 1.00 0.00 C ATOM 0 H PHE A 44 2.222 -6.179 5.010 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.431 -4.949 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.636 -6.414 6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.831 -5.455 6.971 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.730 -8.410 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.865 -6.435 6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.578 -10.414 4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.172 -8.439 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.013 -10.403 4.777 1.00 0.00 H new ATOM 601 N VAL A 45 0.132 -3.037 6.130 1.00 0.00 N ATOM 602 CA VAL A 45 0.594 -1.776 6.685 1.00 0.00 C ATOM 603 C VAL A 45 0.343 -1.766 8.194 1.00 0.00 C ATOM 604 O VAL A 45 -0.796 -1.893 8.638 1.00 0.00 O ATOM 605 CB VAL A 45 -0.076 -0.607 5.959 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.242 0.721 6.649 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.332 -0.571 4.485 1.00 0.00 C ATOM 0 H VAL A 45 -0.882 -3.125 6.057 1.00 0.00 H new ATOM 0 HA VAL A 45 1.667 -1.662 6.533 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.155 -0.758 6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.246 1.535 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.121 0.693 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.320 0.882 6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.158 0.269 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.413 -0.456 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.032 -1.501 4.002 1.00 0.00 H new ATOM 617 N SER A 46 1.427 -1.613 8.941 1.00 0.00 N ATOM 618 CA SER A 46 1.339 -1.584 10.391 1.00 0.00 C ATOM 619 C SER A 46 1.734 -0.201 10.912 1.00 0.00 C ATOM 620 O SER A 46 1.848 0.002 12.120 1.00 0.00 O ATOM 621 CB SER A 46 2.227 -2.661 11.018 1.00 0.00 C ATOM 622 OG SER A 46 2.207 -2.607 12.442 1.00 0.00 O ATOM 0 H SER A 46 2.371 -1.508 8.569 1.00 0.00 H new ATOM 0 HA SER A 46 0.307 -1.791 10.675 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.892 -3.644 10.688 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.251 -2.538 10.665 1.00 0.00 H new ATOM 0 HG SER A 46 2.014 -1.691 12.732 1.00 0.00 H new ATOM 628 N LYS A 47 1.931 0.715 9.975 1.00 0.00 N ATOM 629 CA LYS A 47 2.311 2.073 10.325 1.00 0.00 C ATOM 630 C LYS A 47 2.079 2.989 9.121 1.00 0.00 C ATOM 631 O LYS A 47 2.230 2.565 7.976 1.00 0.00 O ATOM 632 CB LYS A 47 3.745 2.108 10.857 1.00 0.00 C ATOM 633 CG LYS A 47 3.900 3.169 11.948 1.00 0.00 C ATOM 634 CD LYS A 47 5.065 4.110 11.638 1.00 0.00 C ATOM 635 CE LYS A 47 5.301 5.089 12.789 1.00 0.00 C ATOM 636 NZ LYS A 47 6.733 5.115 13.162 1.00 0.00 N ATOM 0 H LYS A 47 1.835 0.543 8.974 1.00 0.00 H new ATOM 0 HA LYS A 47 1.686 2.447 11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.013 1.130 11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.435 2.318 10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.978 3.743 12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.066 2.684 12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.969 3.528 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.856 4.663 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.977 6.088 12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.700 4.798 13.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.876 5.785 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.031 4.165 13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.300 5.414 12.343 1.00 0.00 H new ATOM 650 N ILE A 48 1.714 4.226 9.422 1.00 0.00 N ATOM 651 CA ILE A 48 1.459 5.206 8.379 1.00 0.00 C ATOM 652 C ILE A 48 1.786 6.604 8.907 1.00 0.00 C ATOM 653 O ILE A 48 1.353 6.977 9.997 1.00 0.00 O ATOM 654 CB ILE A 48 0.030 5.066 7.851 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.197 3.679 7.245 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.300 6.185 6.861 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.606 3.561 6.661 1.00 0.00 C ATOM 0 H ILE A 48 1.589 4.573 10.373 1.00 0.00 H new ATOM 0 HA ILE A 48 2.109 5.029 7.522 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.657 5.166 8.692 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.541 3.494 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.051 2.916 8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.321 6.062 6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.204 7.150 7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.390 6.140 6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.742 2.566 6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.341 3.723 7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.740 4.310 5.880 1.00 0.00 H new ATOM 669 N VAL A 49 2.547 7.340 8.111 1.00 0.00 N ATOM 670 CA VAL A 49 2.936 8.689 8.485 1.00 0.00 C ATOM 671 C VAL A 49 1.774 9.645 8.211 1.00 0.00 C ATOM 672 O VAL A 49 1.349 9.800 7.068 1.00 0.00 O ATOM 673 CB VAL A 49 4.221 9.085 7.753 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.629 10.518 8.098 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.352 8.102 8.061 1.00 0.00 C ATOM 0 H VAL A 49 2.905 7.028 7.208 1.00 0.00 H new ATOM 0 HA VAL A 49 3.155 8.741 9.551 1.00 0.00 H new ATOM 0 HB VAL A 49 4.024 9.043 6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.545 10.774 7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.834 11.203 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.799 10.599 9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.253 8.406 7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.548 8.097 9.133 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.062 7.101 7.741 1.00 0.00 H new ATOM 685 N ASP A 50 1.292 10.261 9.281 1.00 0.00 N ATOM 686 CA ASP A 50 0.187 11.198 9.171 1.00 0.00 C ATOM 687 C ASP A 50 0.508 12.235 8.093 1.00 0.00 C ATOM 688 O ASP A 50 -0.107 12.240 7.028 1.00 0.00 O ATOM 689 CB ASP A 50 -0.039 11.941 10.489 1.00 0.00 C ATOM 690 CG ASP A 50 -1.471 11.887 11.024 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.390 11.815 10.180 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.615 11.920 12.265 1.00 0.00 O ATOM 0 H ASP A 50 1.647 10.129 10.228 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.710 10.633 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.630 11.525 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.243 12.985 10.353 1.00 0.00 H new ATOM 697 N SER A 51 1.472 13.088 8.406 1.00 0.00 N ATOM 698 CA SER A 51 1.883 14.128 7.478 1.00 0.00 C ATOM 699 C SER A 51 2.361 13.499 6.167 1.00 0.00 C ATOM 700 O SER A 51 2.477 14.185 5.152 1.00 0.00 O ATOM 701 CB SER A 51 2.985 15.001 8.081 1.00 0.00 C ATOM 702 OG SER A 51 2.601 16.371 8.152 1.00 0.00 O ATOM 0 H SER A 51 1.981 13.080 9.290 1.00 0.00 H new ATOM 0 HA SER A 51 1.023 14.766 7.276 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.227 14.640 9.081 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.890 14.909 7.481 1.00 0.00 H new ATOM 0 HG SER A 51 3.330 16.895 8.544 1.00 0.00 H new ATOM 708 N GLY A 52 2.625 12.203 6.232 1.00 0.00 N ATOM 709 CA GLY A 52 3.088 11.474 5.062 1.00 0.00 C ATOM 710 C GLY A 52 2.092 11.601 3.908 1.00 0.00 C ATOM 711 O GLY A 52 0.902 11.821 4.130 1.00 0.00 O ATOM 0 H GLY A 52 2.528 11.638 7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.060 11.857 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.225 10.423 5.315 1.00 0.00 H new ATOM 715 N PRO A 53 2.629 11.453 2.667 1.00 0.00 N ATOM 716 CA PRO A 53 1.801 11.548 1.477 1.00 0.00 C ATOM 717 C PRO A 53 0.951 10.288 1.298 1.00 0.00 C ATOM 718 O PRO A 53 0.155 10.200 0.364 1.00 0.00 O ATOM 719 CB PRO A 53 2.778 11.774 0.335 1.00 0.00 C ATOM 720 CG PRO A 53 4.136 11.334 0.855 1.00 0.00 C ATOM 721 CD PRO A 53 4.033 11.192 2.365 1.00 0.00 C ATOM 0 HA PRO A 53 1.078 12.362 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.491 11.197 -0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.795 12.822 0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.430 10.387 0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.901 12.065 0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.329 10.195 2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.686 11.900 2.875 1.00 0.00 H new ATOM 729 N ALA A 54 1.149 9.346 2.207 1.00 0.00 N ATOM 730 CA ALA A 54 0.412 8.095 2.161 1.00 0.00 C ATOM 731 C ALA A 54 -0.872 8.234 2.982 1.00 0.00 C ATOM 732 O ALA A 54 -1.894 7.636 2.650 1.00 0.00 O ATOM 733 CB ALA A 54 1.304 6.957 2.661 1.00 0.00 C ATOM 0 H ALA A 54 1.810 9.424 2.980 1.00 0.00 H new ATOM 0 HA ALA A 54 0.124 7.857 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.750 6.019 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.187 6.881 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.611 7.159 3.687 1.00 0.00 H new ATOM 739 N ALA A 55 -0.776 9.026 4.040 1.00 0.00 N ATOM 740 CA ALA A 55 -1.917 9.252 4.911 1.00 0.00 C ATOM 741 C ALA A 55 -2.687 10.483 4.429 1.00 0.00 C ATOM 742 O ALA A 55 -3.907 10.551 4.570 1.00 0.00 O ATOM 743 CB ALA A 55 -1.435 9.395 6.356 1.00 0.00 C ATOM 0 H ALA A 55 0.074 9.519 4.314 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.600 8.403 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.290 9.565 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.921 8.483 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.750 10.239 6.429 1.00 0.00 H new ATOM 749 N LYS A 56 -1.942 11.425 3.869 1.00 0.00 N ATOM 750 CA LYS A 56 -2.539 12.650 3.365 1.00 0.00 C ATOM 751 C LYS A 56 -3.550 12.306 2.269 1.00 0.00 C ATOM 752 O LYS A 56 -4.748 12.211 2.531 1.00 0.00 O ATOM 753 CB LYS A 56 -1.454 13.629 2.915 1.00 0.00 C ATOM 754 CG LYS A 56 -0.937 14.455 4.095 1.00 0.00 C ATOM 755 CD LYS A 56 -1.985 15.472 4.553 1.00 0.00 C ATOM 756 CE LYS A 56 -2.534 15.108 5.934 1.00 0.00 C ATOM 757 NZ LYS A 56 -1.583 15.515 6.993 1.00 0.00 N ATOM 0 H LYS A 56 -0.930 11.364 3.753 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.088 13.160 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.629 13.080 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.854 14.293 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.681 13.793 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.023 14.974 3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.542 16.467 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.801 15.509 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.494 15.599 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.712 14.034 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.365 14.697 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.707 15.867 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.008 16.268 7.571 1.00 0.00 H new ATOM 771 N GLU A 57 -3.030 12.127 1.063 1.00 0.00 N ATOM 772 CA GLU A 57 -3.872 11.796 -0.074 1.00 0.00 C ATOM 773 C GLU A 57 -3.773 10.302 -0.389 1.00 0.00 C ATOM 774 O GLU A 57 -4.685 9.727 -0.982 1.00 0.00 O ATOM 775 CB GLU A 57 -3.501 12.640 -1.295 1.00 0.00 C ATOM 776 CG GLU A 57 -3.762 14.125 -1.034 1.00 0.00 C ATOM 777 CD GLU A 57 -5.152 14.532 -1.527 1.00 0.00 C ATOM 778 OE1 GLU A 57 -5.396 14.362 -2.742 1.00 0.00 O ATOM 779 OE2 GLU A 57 -5.939 15.004 -0.679 1.00 0.00 O ATOM 0 H GLU A 57 -2.036 12.205 0.849 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.906 12.026 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.450 12.489 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.080 12.311 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.676 14.331 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.004 14.725 -1.537 1.00 0.00 H new ATOM 786 N GLY A 58 -2.658 9.715 0.021 1.00 0.00 N ATOM 787 CA GLY A 58 -2.428 8.299 -0.211 1.00 0.00 C ATOM 788 C GLY A 58 -3.737 7.511 -0.132 1.00 0.00 C ATOM 789 O GLY A 58 -4.110 6.822 -1.080 1.00 0.00 O ATOM 0 H GLY A 58 -1.904 10.194 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.972 8.157 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.723 7.916 0.527 1.00 0.00 H new ATOM 793 N GLY A 59 -4.400 7.640 1.009 1.00 0.00 N ATOM 794 CA GLY A 59 -5.659 6.948 1.224 1.00 0.00 C ATOM 795 C GLY A 59 -5.442 5.635 1.978 1.00 0.00 C ATOM 796 O GLY A 59 -6.395 4.908 2.254 1.00 0.00 O ATOM 0 H GLY A 59 -4.089 8.213 1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.338 7.588 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.135 6.746 0.265 1.00 0.00 H new ATOM 800 N LEU A 60 -4.182 5.371 2.290 1.00 0.00 N ATOM 801 CA LEU A 60 -3.827 4.158 3.007 1.00 0.00 C ATOM 802 C LEU A 60 -4.422 4.210 4.416 1.00 0.00 C ATOM 803 O LEU A 60 -4.888 5.259 4.858 1.00 0.00 O ATOM 804 CB LEU A 60 -2.311 3.947 2.987 1.00 0.00 C ATOM 805 CG LEU A 60 -1.835 2.495 3.045 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.651 1.612 2.097 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.334 2.399 2.767 1.00 0.00 C ATOM 0 H LEU A 60 -3.394 5.976 2.059 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.254 3.285 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.913 4.403 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.878 4.484 3.831 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.000 2.121 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.292 0.585 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.702 1.647 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.540 1.975 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.021 1.356 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.122 2.797 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.212 2.976 3.514 1.00 0.00 H new ATOM 819 N GLN A 61 -4.387 3.065 5.082 1.00 0.00 N ATOM 820 CA GLN A 61 -4.917 2.968 6.431 1.00 0.00 C ATOM 821 C GLN A 61 -4.327 1.750 7.146 1.00 0.00 C ATOM 822 O GLN A 61 -4.389 0.634 6.633 1.00 0.00 O ATOM 823 CB GLN A 61 -6.445 2.908 6.416 1.00 0.00 C ATOM 824 CG GLN A 61 -7.046 4.021 7.277 1.00 0.00 C ATOM 825 CD GLN A 61 -8.523 3.752 7.569 1.00 0.00 C ATOM 826 OE1 GLN A 61 -9.197 3.256 6.535 1.00 0.00 O flip ATOM 827 NE2 GLN A 61 -9.019 3.979 8.661 1.00 0.00 N flip ATOM 0 H GLN A 61 -4.000 2.197 4.712 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.627 3.864 6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.806 3.001 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.778 1.938 6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.495 4.098 8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.941 4.978 6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.445 4.360 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.008 3.787 8.822 1.00 0.00 H new ATOM 836 N ILE A 62 -3.768 2.006 8.320 1.00 0.00 N ATOM 837 CA ILE A 62 -3.168 0.946 9.111 1.00 0.00 C ATOM 838 C ILE A 62 -4.013 -0.323 8.979 1.00 0.00 C ATOM 839 O ILE A 62 -5.215 -0.250 8.727 1.00 0.00 O ATOM 840 CB ILE A 62 -2.968 1.403 10.557 1.00 0.00 C ATOM 841 CG1 ILE A 62 -2.262 2.760 10.610 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.227 0.340 11.371 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.340 2.851 11.827 1.00 0.00 C ATOM 0 H ILE A 62 -3.718 2.933 8.742 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.173 0.708 8.736 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.950 1.532 11.013 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.683 2.908 9.699 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.003 3.558 10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.098 0.690 12.395 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.805 -0.584 11.374 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.250 0.156 10.925 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.851 3.825 11.841 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.926 2.726 12.738 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.585 2.067 11.771 1.00 0.00 H new ATOM 855 N HIS A 63 -3.351 -1.458 9.154 1.00 0.00 N ATOM 856 CA HIS A 63 -4.026 -2.741 9.058 1.00 0.00 C ATOM 857 C HIS A 63 -4.575 -2.927 7.642 1.00 0.00 C ATOM 858 O HIS A 63 -5.752 -3.235 7.464 1.00 0.00 O ATOM 859 CB HIS A 63 -5.106 -2.868 10.134 1.00 0.00 C ATOM 860 CG HIS A 63 -4.670 -2.398 11.501 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.499 -2.584 12.175 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -5.483 -1.644 12.329 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -3.591 -1.975 13.351 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -4.821 -1.392 13.449 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.354 -1.515 9.362 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.314 -3.546 9.243 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.980 -2.295 9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.416 -3.911 10.202 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.487 -1.317 12.101 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.819 -1.946 14.106 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.169 -0.857 14.244 1.00 0.00 H new ATOM 872 N ASP A 64 -3.696 -2.731 6.670 1.00 0.00 N ATOM 873 CA ASP A 64 -4.077 -2.874 5.276 1.00 0.00 C ATOM 874 C ASP A 64 -3.336 -4.066 4.668 1.00 0.00 C ATOM 875 O ASP A 64 -2.410 -4.601 5.275 1.00 0.00 O ATOM 876 CB ASP A 64 -3.705 -1.626 4.473 1.00 0.00 C ATOM 877 CG ASP A 64 -2.329 -1.673 3.805 1.00 0.00 C ATOM 878 OD1 ASP A 64 -1.461 -2.393 4.345 1.00 0.00 O ATOM 879 OD2 ASP A 64 -2.176 -0.988 2.771 1.00 0.00 O ATOM 0 H ASP A 64 -2.720 -2.474 6.821 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.156 -3.021 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.461 -1.469 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.741 -0.762 5.136 1.00 0.00 H new ATOM 884 N ARG A 65 -3.771 -4.447 3.476 1.00 0.00 N ATOM 885 CA ARG A 65 -3.160 -5.566 2.779 1.00 0.00 C ATOM 886 C ARG A 65 -2.862 -5.188 1.326 1.00 0.00 C ATOM 887 O ARG A 65 -3.651 -5.483 0.430 1.00 0.00 O ATOM 888 CB ARG A 65 -4.072 -6.794 2.802 1.00 0.00 C ATOM 889 CG ARG A 65 -3.297 -8.060 2.432 1.00 0.00 C ATOM 890 CD ARG A 65 -4.232 -9.268 2.340 1.00 0.00 C ATOM 891 NE ARG A 65 -3.863 -10.106 1.177 1.00 0.00 N ATOM 892 CZ ARG A 65 -4.662 -11.038 0.640 1.00 0.00 C ATOM 893 NH1 ARG A 65 -5.879 -11.257 1.157 1.00 0.00 N ATOM 894 NH2 ARG A 65 -4.244 -11.751 -0.415 1.00 0.00 N ATOM 0 H ARG A 65 -4.539 -4.001 2.975 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.230 -5.809 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.509 -6.908 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.897 -6.652 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.790 -7.915 1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.525 -8.249 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.172 -9.856 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.265 -8.933 2.244 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.944 -9.965 0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.197 -10.714 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.487 -11.967 0.748 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.318 -11.584 -0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.852 -12.461 -0.824 1.00 0.00 H new ATOM 908 N ILE A 66 -1.721 -4.541 1.139 1.00 0.00 N ATOM 909 CA ILE A 66 -1.309 -4.120 -0.189 1.00 0.00 C ATOM 910 C ILE A 66 -1.405 -5.307 -1.149 1.00 0.00 C ATOM 911 O ILE A 66 -0.827 -6.363 -0.895 1.00 0.00 O ATOM 912 CB ILE A 66 0.080 -3.479 -0.141 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.214 -2.551 1.068 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.397 -2.759 -1.454 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.288 -1.489 0.827 1.00 0.00 C ATOM 0 H ILE A 66 -1.069 -4.298 1.885 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.979 -3.348 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 66 0.818 -4.272 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.742 -2.068 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.467 -3.135 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.389 -2.312 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.370 -3.474 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.343 -1.978 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.363 -0.843 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.248 -1.975 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.020 -0.891 -0.044 1.00 0.00 H new ATOM 927 N ILE A 67 -2.139 -5.095 -2.231 1.00 0.00 N ATOM 928 CA ILE A 67 -2.319 -6.134 -3.230 1.00 0.00 C ATOM 929 C ILE A 67 -1.347 -5.897 -4.388 1.00 0.00 C ATOM 930 O ILE A 67 -0.696 -6.828 -4.858 1.00 0.00 O ATOM 931 CB ILE A 67 -3.784 -6.214 -3.664 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.720 -6.046 -2.465 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.059 -7.509 -4.430 1.00 0.00 C ATOM 934 CD1 ILE A 67 -5.034 -7.398 -1.821 1.00 0.00 C ATOM 0 H ILE A 67 -2.617 -4.218 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.082 -7.111 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.984 -5.388 -4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.259 -5.387 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.646 -5.568 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.107 -7.541 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.429 -7.547 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.837 -8.364 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.701 -7.250 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.516 -8.046 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.109 -7.862 -1.479 1.00 0.00 H new ATOM 946 N GLU A 68 -1.279 -4.644 -4.814 1.00 0.00 N ATOM 947 CA GLU A 68 -0.398 -4.272 -5.908 1.00 0.00 C ATOM 948 C GLU A 68 0.074 -2.826 -5.741 1.00 0.00 C ATOM 949 O GLU A 68 -0.604 -2.017 -5.109 1.00 0.00 O ATOM 950 CB GLU A 68 -1.087 -4.471 -7.259 1.00 0.00 C ATOM 951 CG GLU A 68 -0.188 -5.249 -8.223 1.00 0.00 C ATOM 952 CD GLU A 68 -0.827 -6.584 -8.611 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.438 -7.203 -7.713 1.00 0.00 O ATOM 954 OE2 GLU A 68 -0.689 -6.956 -9.797 1.00 0.00 O ATOM 0 H GLU A 68 -1.820 -3.874 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 68 0.475 -4.924 -5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.025 -5.008 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.336 -3.502 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.008 -4.654 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.782 -5.427 -7.758 1.00 0.00 H new ATOM 961 N VAL A 69 1.233 -2.545 -6.318 1.00 0.00 N ATOM 962 CA VAL A 69 1.803 -1.211 -6.241 1.00 0.00 C ATOM 963 C VAL A 69 2.394 -0.834 -7.601 1.00 0.00 C ATOM 964 O VAL A 69 3.375 -1.431 -8.043 1.00 0.00 O ATOM 965 CB VAL A 69 2.826 -1.144 -5.106 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.243 -1.389 -5.629 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.738 0.193 -4.367 1.00 0.00 C ATOM 0 H VAL A 69 1.793 -3.219 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 69 1.030 -0.479 -6.008 1.00 0.00 H new ATOM 0 HB VAL A 69 2.590 -1.936 -4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.951 -1.336 -4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.296 -2.376 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.494 -0.630 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.476 0.215 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.935 1.008 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.740 0.310 -3.945 1.00 0.00 H new ATOM 977 N ASN A 70 1.772 0.154 -8.228 1.00 0.00 N ATOM 978 CA ASN A 70 2.224 0.617 -9.529 1.00 0.00 C ATOM 979 C ASN A 70 1.864 -0.425 -10.590 1.00 0.00 C ATOM 980 O ASN A 70 1.277 -0.091 -11.618 1.00 0.00 O ATOM 981 CB ASN A 70 3.742 0.806 -9.549 1.00 0.00 C ATOM 982 CG ASN A 70 4.127 2.069 -10.323 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.280 3.146 -9.559 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.276 2.064 -11.534 1.00 0.00 N flip ATOM 0 H ASN A 70 0.959 0.647 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 70 1.738 1.571 -9.735 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.117 0.872 -8.528 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.214 -0.063 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.143 1.201 -12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.534 2.923 -12.020 1.00 0.00 H new ATOM 991 N GLY A 71 2.230 -1.666 -10.304 1.00 0.00 N ATOM 992 CA GLY A 71 1.953 -2.758 -11.220 1.00 0.00 C ATOM 993 C GLY A 71 2.798 -3.988 -10.880 1.00 0.00 C ATOM 994 O GLY A 71 3.060 -4.823 -11.743 1.00 0.00 O ATOM 0 H GLY A 71 2.716 -1.939 -9.450 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.895 -3.016 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.160 -2.441 -12.242 1.00 0.00 H new ATOM 998 N ARG A 72 3.200 -4.059 -9.620 1.00 0.00 N ATOM 999 CA ARG A 72 4.010 -5.172 -9.154 1.00 0.00 C ATOM 1000 C ARG A 72 3.248 -5.979 -8.101 1.00 0.00 C ATOM 1001 O ARG A 72 2.814 -5.431 -7.089 1.00 0.00 O ATOM 1002 CB ARG A 72 5.329 -4.681 -8.555 1.00 0.00 C ATOM 1003 CG ARG A 72 6.522 -5.175 -9.375 1.00 0.00 C ATOM 1004 CD ARG A 72 7.831 -4.993 -8.604 1.00 0.00 C ATOM 1005 NE ARG A 72 8.787 -6.062 -8.969 1.00 0.00 N ATOM 1006 CZ ARG A 72 10.063 -6.099 -8.563 1.00 0.00 C ATOM 1007 NH1 ARG A 72 10.545 -5.127 -7.777 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.858 -7.109 -8.943 1.00 0.00 N ATOM 0 H ARG A 72 2.980 -3.364 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 72 4.229 -5.805 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.333 -3.592 -8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.419 -5.033 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.386 -6.227 -9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.572 -4.629 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.262 -4.017 -8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.637 -5.018 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 72 8.453 -6.818 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.940 -4.358 -7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.517 -5.156 -7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.491 -7.849 -9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.830 -7.137 -8.634 1.00 0.00 H new ATOM 1022 N ASP A 73 3.110 -7.268 -8.375 1.00 0.00 N ATOM 1023 CA ASP A 73 2.408 -8.155 -7.464 1.00 0.00 C ATOM 1024 C ASP A 73 3.142 -8.186 -6.122 1.00 0.00 C ATOM 1025 O ASP A 73 4.266 -8.678 -6.036 1.00 0.00 O ATOM 1026 CB ASP A 73 2.364 -9.583 -8.011 1.00 0.00 C ATOM 1027 CG ASP A 73 1.158 -9.899 -8.898 1.00 0.00 C ATOM 1028 OD1 ASP A 73 1.259 -9.619 -10.112 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.163 -10.413 -8.342 1.00 0.00 O ATOM 0 H ASP A 73 3.473 -7.719 -9.215 1.00 0.00 H new ATOM 0 HA ASP A 73 1.391 -7.782 -7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.274 -9.765 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.370 -10.278 -7.171 1.00 0.00 H new ATOM 1034 N LEU A 74 2.477 -7.653 -5.107 1.00 0.00 N ATOM 1035 CA LEU A 74 3.052 -7.612 -3.774 1.00 0.00 C ATOM 1036 C LEU A 74 2.207 -8.472 -2.832 1.00 0.00 C ATOM 1037 O LEU A 74 2.505 -8.574 -1.643 1.00 0.00 O ATOM 1038 CB LEU A 74 3.217 -6.165 -3.305 1.00 0.00 C ATOM 1039 CG LEU A 74 3.908 -5.216 -4.285 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.396 -3.953 -3.574 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.039 -5.928 -5.031 1.00 0.00 C ATOM 0 H LEU A 74 1.545 -7.246 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 74 4.056 -8.037 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.230 -5.763 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.783 -6.168 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 74 3.177 -4.903 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.884 -3.296 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.547 -3.436 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.106 -4.226 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.514 -5.231 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.777 -6.289 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.632 -6.772 -5.589 1.00 0.00 H new ATOM 1053 N SER A 75 1.169 -9.069 -3.399 1.00 0.00 N ATOM 1054 CA SER A 75 0.278 -9.917 -2.625 1.00 0.00 C ATOM 1055 C SER A 75 1.045 -11.125 -2.084 1.00 0.00 C ATOM 1056 O SER A 75 0.849 -11.527 -0.938 1.00 0.00 O ATOM 1057 CB SER A 75 -0.913 -10.378 -3.467 1.00 0.00 C ATOM 1058 OG SER A 75 -1.596 -11.476 -2.869 1.00 0.00 O ATOM 0 H SER A 75 0.925 -8.982 -4.386 1.00 0.00 H new ATOM 0 HA SER A 75 -0.107 -9.335 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.607 -9.548 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.566 -10.664 -4.460 1.00 0.00 H new ATOM 0 HG SER A 75 -2.351 -11.740 -3.436 1.00 0.00 H new ATOM 1064 N ARG A 76 1.902 -11.671 -2.934 1.00 0.00 N ATOM 1065 CA ARG A 76 2.699 -12.825 -2.556 1.00 0.00 C ATOM 1066 C ARG A 76 4.179 -12.445 -2.474 1.00 0.00 C ATOM 1067 O ARG A 76 5.051 -13.306 -2.576 1.00 0.00 O ATOM 1068 CB ARG A 76 2.528 -13.967 -3.560 1.00 0.00 C ATOM 1069 CG ARG A 76 2.806 -13.488 -4.987 1.00 0.00 C ATOM 1070 CD ARG A 76 3.186 -14.660 -5.894 1.00 0.00 C ATOM 1071 NE ARG A 76 3.048 -14.266 -7.314 1.00 0.00 N ATOM 1072 CZ ARG A 76 3.419 -15.035 -8.346 1.00 0.00 C ATOM 1073 NH1 ARG A 76 3.953 -16.244 -8.123 1.00 0.00 N ATOM 1074 NH2 ARG A 76 3.256 -14.596 -9.602 1.00 0.00 N ATOM 0 H ARG A 76 2.062 -11.335 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 76 2.352 -13.161 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.206 -14.783 -3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.515 -14.363 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.923 -12.987 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.612 -12.754 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.211 -14.970 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.547 -15.517 -5.682 1.00 0.00 H new ATOM 0 HE ARG A 76 2.645 -13.352 -7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.077 -16.578 -7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.235 -16.830 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.849 -13.676 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.539 -15.182 -10.388 1.00 0.00 H new ATOM 1088 N ALA A 77 4.416 -11.155 -2.290 1.00 0.00 N ATOM 1089 CA ALA A 77 5.775 -10.650 -2.194 1.00 0.00 C ATOM 1090 C ALA A 77 6.167 -10.531 -0.719 1.00 0.00 C ATOM 1091 O ALA A 77 5.354 -10.796 0.166 1.00 0.00 O ATOM 1092 CB ALA A 77 5.878 -9.315 -2.934 1.00 0.00 C ATOM 0 H ALA A 77 3.690 -10.444 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 77 6.475 -11.339 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.898 -8.937 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.618 -9.459 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.192 -8.597 -2.486 1.00 0.00 H new ATOM 1098 N THR A 78 7.411 -10.132 -0.501 1.00 0.00 N ATOM 1099 CA THR A 78 7.920 -9.975 0.851 1.00 0.00 C ATOM 1100 C THR A 78 8.266 -8.510 1.123 1.00 0.00 C ATOM 1101 O THR A 78 8.344 -7.704 0.197 1.00 0.00 O ATOM 1102 CB THR A 78 9.110 -10.922 1.021 1.00 0.00 C ATOM 1103 OG1 THR A 78 9.524 -10.720 2.370 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.322 -10.495 0.191 1.00 0.00 C ATOM 0 H THR A 78 8.082 -9.913 -1.238 1.00 0.00 H new ATOM 0 HA THR A 78 7.166 -10.241 1.591 1.00 0.00 H new ATOM 0 HB THR A 78 8.814 -11.932 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.291 -11.297 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.138 -11.201 0.348 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.053 -10.481 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.640 -9.499 0.498 1.00 0.00 H new ATOM 1112 N HIS A 79 8.465 -8.209 2.398 1.00 0.00 N ATOM 1113 CA HIS A 79 8.801 -6.855 2.804 1.00 0.00 C ATOM 1114 C HIS A 79 9.956 -6.334 1.947 1.00 0.00 C ATOM 1115 O HIS A 79 9.976 -5.163 1.570 1.00 0.00 O ATOM 1116 CB HIS A 79 9.101 -6.796 4.303 1.00 0.00 C ATOM 1117 CG HIS A 79 9.353 -5.401 4.825 1.00 0.00 C ATOM 1118 ND1 HIS A 79 10.625 -4.896 5.030 1.00 0.00 N ATOM 1119 CD2 HIS A 79 8.484 -4.412 5.179 1.00 0.00 C ATOM 1120 CE1 HIS A 79 10.515 -3.658 5.488 1.00 0.00 C ATOM 1121 NE2 HIS A 79 9.187 -3.360 5.580 1.00 0.00 N ATOM 0 H HIS A 79 8.400 -8.880 3.164 1.00 0.00 H new ATOM 0 HA HIS A 79 7.947 -6.199 2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.263 -7.231 4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.974 -7.415 4.513 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.406 -4.474 5.140 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.333 -3.000 5.744 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.798 -2.474 5.904 1.00 0.00 H new ATOM 1129 N ASP A 80 10.892 -7.229 1.665 1.00 0.00 N ATOM 1130 CA ASP A 80 12.048 -6.875 0.860 1.00 0.00 C ATOM 1131 C ASP A 80 11.579 -6.399 -0.517 1.00 0.00 C ATOM 1132 O ASP A 80 11.955 -5.317 -0.965 1.00 0.00 O ATOM 1133 CB ASP A 80 12.968 -8.080 0.656 1.00 0.00 C ATOM 1134 CG ASP A 80 14.424 -7.861 1.071 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.858 -6.690 1.018 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.069 -8.868 1.431 1.00 0.00 O ATOM 0 H ASP A 80 10.873 -8.199 1.980 1.00 0.00 H new ATOM 0 HA ASP A 80 12.594 -6.089 1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.568 -8.923 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.945 -8.361 -0.397 1.00 0.00 H new ATOM 1141 N GLN A 81 10.765 -7.231 -1.149 1.00 0.00 N ATOM 1142 CA GLN A 81 10.240 -6.909 -2.465 1.00 0.00 C ATOM 1143 C GLN A 81 9.288 -5.715 -2.380 1.00 0.00 C ATOM 1144 O GLN A 81 9.389 -4.778 -3.170 1.00 0.00 O ATOM 1145 CB GLN A 81 9.546 -8.121 -3.090 1.00 0.00 C ATOM 1146 CG GLN A 81 10.569 -9.145 -3.583 1.00 0.00 C ATOM 1147 CD GLN A 81 9.913 -10.177 -4.503 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.169 -9.852 -5.413 1.00 0.00 O ATOM 1149 NE2 GLN A 81 10.228 -11.437 -4.215 1.00 0.00 N ATOM 0 H GLN A 81 10.456 -8.128 -0.774 1.00 0.00 H new ATOM 0 HA GLN A 81 11.075 -6.637 -3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.886 -8.585 -2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.920 -7.797 -3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.371 -8.635 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.024 -9.650 -2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.858 -11.641 -3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.840 -12.199 -4.770 1.00 0.00 H new ATOM 1158 N ALA A 82 8.385 -5.787 -1.413 1.00 0.00 N ATOM 1159 CA ALA A 82 7.415 -4.723 -1.215 1.00 0.00 C ATOM 1160 C ALA A 82 8.143 -3.379 -1.159 1.00 0.00 C ATOM 1161 O ALA A 82 7.745 -2.425 -1.825 1.00 0.00 O ATOM 1162 CB ALA A 82 6.605 -5.001 0.054 1.00 0.00 C ATOM 0 H ALA A 82 8.305 -6.565 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 82 6.713 -4.683 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.877 -4.203 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.084 -5.953 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.276 -5.045 0.912 1.00 0.00 H new ATOM 1168 N VAL A 83 9.198 -3.346 -0.357 1.00 0.00 N ATOM 1169 CA VAL A 83 9.985 -2.135 -0.206 1.00 0.00 C ATOM 1170 C VAL A 83 10.562 -1.733 -1.565 1.00 0.00 C ATOM 1171 O VAL A 83 10.352 -0.612 -2.026 1.00 0.00 O ATOM 1172 CB VAL A 83 11.061 -2.340 0.863 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.121 -1.239 0.792 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.439 -2.414 2.259 1.00 0.00 C ATOM 0 H VAL A 83 9.525 -4.139 0.195 1.00 0.00 H new ATOM 0 HA VAL A 83 9.357 -1.312 0.137 1.00 0.00 H new ATOM 0 HB VAL A 83 11.554 -3.292 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.874 -1.408 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.596 -1.254 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.650 -0.269 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.225 -2.560 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.908 -1.486 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.740 -3.249 2.302 1.00 0.00 H new ATOM 1184 N GLU A 84 11.278 -2.671 -2.169 1.00 0.00 N ATOM 1185 CA GLU A 84 11.886 -2.429 -3.466 1.00 0.00 C ATOM 1186 C GLU A 84 10.850 -1.866 -4.441 1.00 0.00 C ATOM 1187 O GLU A 84 11.152 -0.963 -5.220 1.00 0.00 O ATOM 1188 CB GLU A 84 12.524 -3.705 -4.019 1.00 0.00 C ATOM 1189 CG GLU A 84 13.175 -3.447 -5.380 1.00 0.00 C ATOM 1190 CD GLU A 84 14.434 -4.299 -5.555 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.268 -5.523 -5.745 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.533 -3.706 -5.495 1.00 0.00 O ATOM 0 H GLU A 84 11.450 -3.600 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 84 12.678 -1.691 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.272 -4.075 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.766 -4.482 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.465 -3.673 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.430 -2.391 -5.471 1.00 0.00 H new ATOM 1199 N ALA A 85 9.650 -2.423 -4.367 1.00 0.00 N ATOM 1200 CA ALA A 85 8.568 -1.988 -5.233 1.00 0.00 C ATOM 1201 C ALA A 85 8.330 -0.490 -5.032 1.00 0.00 C ATOM 1202 O ALA A 85 8.385 0.285 -5.986 1.00 0.00 O ATOM 1203 CB ALA A 85 7.317 -2.821 -4.946 1.00 0.00 C ATOM 0 H ALA A 85 9.403 -3.172 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 85 8.829 -2.143 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.505 -2.494 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.530 -3.874 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.023 -2.689 -3.905 1.00 0.00 H new ATOM 1209 N PHE A 86 8.071 -0.127 -3.785 1.00 0.00 N ATOM 1210 CA PHE A 86 7.824 1.265 -3.446 1.00 0.00 C ATOM 1211 C PHE A 86 9.078 2.113 -3.667 1.00 0.00 C ATOM 1212 O PHE A 86 8.983 3.316 -3.904 1.00 0.00 O ATOM 1213 CB PHE A 86 7.450 1.304 -1.963 1.00 0.00 C ATOM 1214 CG PHE A 86 6.001 0.907 -1.675 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.980 1.668 -2.151 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.735 -0.208 -0.944 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.635 1.299 -1.884 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.390 -0.577 -0.677 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.368 0.184 -1.153 1.00 0.00 C ATOM 0 H PHE A 86 8.027 -0.772 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 86 7.031 1.667 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.114 0.637 -1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.623 2.311 -1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.192 2.553 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.546 -0.813 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.824 1.904 -2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.178 -1.462 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.345 -0.097 -0.950 1.00 0.00 H new ATOM 1229 N LYS A 87 10.223 1.453 -3.581 1.00 0.00 N ATOM 1230 CA LYS A 87 11.494 2.132 -3.768 1.00 0.00 C ATOM 1231 C LYS A 87 11.684 2.448 -5.253 1.00 0.00 C ATOM 1232 O LYS A 87 12.195 3.510 -5.605 1.00 0.00 O ATOM 1233 CB LYS A 87 12.634 1.310 -3.163 1.00 0.00 C ATOM 1234 CG LYS A 87 13.542 2.187 -2.297 1.00 0.00 C ATOM 1235 CD LYS A 87 14.968 1.634 -2.262 1.00 0.00 C ATOM 1236 CE LYS A 87 15.541 1.684 -0.845 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.009 0.344 -0.427 1.00 0.00 N ATOM 0 H LYS A 87 10.297 0.455 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 87 11.501 3.083 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.223 0.500 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.219 0.850 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.552 3.204 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.144 2.240 -1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.972 0.606 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.602 2.211 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.368 2.393 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.780 2.043 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.395 0.396 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.212 -0.323 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.750 0.016 -1.079 1.00 0.00 H new ATOM 1251 N THR A 88 11.263 1.506 -6.085 1.00 0.00 N ATOM 1252 CA THR A 88 11.381 1.670 -7.523 1.00 0.00 C ATOM 1253 C THR A 88 10.038 2.093 -8.123 1.00 0.00 C ATOM 1254 O THR A 88 9.894 2.163 -9.343 1.00 0.00 O ATOM 1255 CB THR A 88 11.923 0.363 -8.106 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.949 -0.610 -7.740 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.200 -0.105 -7.405 1.00 0.00 C ATOM 0 H THR A 88 10.840 0.626 -5.790 1.00 0.00 H new ATOM 0 HA THR A 88 12.080 2.468 -7.774 1.00 0.00 H new ATOM 0 HB THR A 88 12.120 0.494 -9.170 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.224 -1.052 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.543 -1.036 -7.857 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.973 0.656 -7.511 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.995 -0.269 -6.347 1.00 0.00 H new ATOM 1265 N ALA A 89 9.090 2.363 -7.239 1.00 0.00 N ATOM 1266 CA ALA A 89 7.764 2.776 -7.666 1.00 0.00 C ATOM 1267 C ALA A 89 7.829 4.208 -8.200 1.00 0.00 C ATOM 1268 O ALA A 89 8.601 5.026 -7.702 1.00 0.00 O ATOM 1269 CB ALA A 89 6.784 2.632 -6.499 1.00 0.00 C ATOM 0 H ALA A 89 9.213 2.304 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 89 7.404 2.139 -8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.789 2.942 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.754 1.591 -6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.110 3.260 -5.670 1.00 0.00 H new ATOM 1275 N LYS A 90 7.007 4.468 -9.206 1.00 0.00 N ATOM 1276 CA LYS A 90 6.961 5.787 -9.813 1.00 0.00 C ATOM 1277 C LYS A 90 5.583 6.407 -9.573 1.00 0.00 C ATOM 1278 O LYS A 90 4.589 5.692 -9.455 1.00 0.00 O ATOM 1279 CB LYS A 90 7.352 5.711 -11.291 1.00 0.00 C ATOM 1280 CG LYS A 90 8.855 5.929 -11.472 1.00 0.00 C ATOM 1281 CD LYS A 90 9.233 7.389 -11.217 1.00 0.00 C ATOM 1282 CE LYS A 90 10.722 7.624 -11.477 1.00 0.00 C ATOM 1283 NZ LYS A 90 11.510 7.359 -10.253 1.00 0.00 N ATOM 0 H LYS A 90 6.367 3.787 -9.616 1.00 0.00 H new ATOM 0 HA LYS A 90 7.693 6.446 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.071 4.739 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.801 6.463 -11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.405 5.283 -10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.148 5.645 -12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.641 8.039 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.994 7.656 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.063 6.975 -12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.882 8.651 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.518 7.523 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.195 7.995 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.371 6.372 -9.957 1.00 0.00 H new ATOM 1297 N GLU A 91 5.568 7.730 -9.507 1.00 0.00 N ATOM 1298 CA GLU A 91 4.328 8.454 -9.282 1.00 0.00 C ATOM 1299 C GLU A 91 3.672 8.811 -10.618 1.00 0.00 C ATOM 1300 O GLU A 91 4.362 9.109 -11.592 1.00 0.00 O ATOM 1301 CB GLU A 91 4.570 9.707 -8.438 1.00 0.00 C ATOM 1302 CG GLU A 91 5.347 9.369 -7.164 1.00 0.00 C ATOM 1303 CD GLU A 91 6.854 9.510 -7.388 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.310 10.672 -7.463 1.00 0.00 O ATOM 1305 OE2 GLU A 91 7.516 8.454 -7.478 1.00 0.00 O ATOM 0 H GLU A 91 6.394 8.320 -9.605 1.00 0.00 H new ATOM 0 HA GLU A 91 3.648 7.808 -8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.124 10.442 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.615 10.163 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.032 10.029 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.116 8.351 -6.852 1.00 0.00 H new ATOM 1312 N PRO A 92 2.313 8.767 -10.621 1.00 0.00 N ATOM 1313 CA PRO A 92 1.574 8.404 -9.424 1.00 0.00 C ATOM 1314 C PRO A 92 1.656 6.898 -9.164 1.00 0.00 C ATOM 1315 O PRO A 92 1.480 6.096 -10.080 1.00 0.00 O ATOM 1316 CB PRO A 92 0.155 8.886 -9.677 1.00 0.00 C ATOM 1317 CG PRO A 92 0.042 9.081 -11.180 1.00 0.00 C ATOM 1318 CD PRO A 92 1.448 9.061 -11.759 1.00 0.00 C ATOM 0 HA PRO A 92 1.982 8.862 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.574 8.157 -9.322 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.041 9.818 -9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.565 8.291 -11.623 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.451 10.026 -11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.545 8.303 -12.537 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.703 10.018 -12.213 1.00 0.00 H new ATOM 1326 N ILE A 93 1.923 6.560 -7.911 1.00 0.00 N ATOM 1327 CA ILE A 93 2.031 5.165 -7.520 1.00 0.00 C ATOM 1328 C ILE A 93 0.638 4.620 -7.200 1.00 0.00 C ATOM 1329 O ILE A 93 0.035 4.997 -6.196 1.00 0.00 O ATOM 1330 CB ILE A 93 3.031 5.006 -6.373 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.387 5.613 -6.740 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.154 3.541 -5.951 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.128 6.096 -5.491 1.00 0.00 C ATOM 0 H ILE A 93 2.068 7.228 -7.154 1.00 0.00 H new ATOM 0 HA ILE A 93 2.426 4.569 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 93 2.653 5.558 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.992 4.872 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.242 6.447 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.871 3.457 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.182 3.175 -5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.497 2.946 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.088 6.523 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.531 6.855 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.293 5.255 -4.818 1.00 0.00 H new ATOM 1345 N VAL A 94 0.166 3.742 -8.073 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.145 3.142 -7.897 1.00 0.00 C ATOM 1347 C VAL A 94 -1.021 1.911 -6.997 1.00 0.00 C ATOM 1348 O VAL A 94 -0.449 0.899 -7.398 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.764 2.826 -9.260 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.142 2.180 -9.100 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.844 4.082 -10.130 1.00 0.00 C ATOM 0 H VAL A 94 0.669 3.432 -8.905 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.821 3.840 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.116 2.110 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.560 1.966 -10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.046 1.252 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.804 2.862 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.288 3.830 -11.093 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.460 4.831 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.842 4.481 -10.286 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.566 2.038 -5.796 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.523 0.948 -4.835 1.00 0.00 C ATOM 1363 C VAL A 95 -2.948 0.467 -4.553 1.00 0.00 C ATOM 1364 O VAL A 95 -3.898 1.243 -4.642 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.781 1.392 -3.573 1.00 0.00 C ATOM 1366 CG1 VAL A 95 -0.013 0.224 -2.950 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.154 2.566 -3.871 1.00 0.00 C ATOM 0 H VAL A 95 -2.040 2.879 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.968 0.102 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.523 1.730 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.506 0.566 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.711 -0.570 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.714 -0.157 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.669 2.862 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.887 2.266 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.427 3.407 -4.249 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.051 -0.811 -4.218 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.344 -1.404 -3.921 1.00 0.00 C ATOM 1379 C GLN A 96 -4.276 -2.200 -2.616 1.00 0.00 C ATOM 1380 O GLN A 96 -3.317 -2.933 -2.381 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.820 -2.287 -5.077 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.087 -3.054 -4.695 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.254 -2.676 -5.610 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.104 -1.868 -5.273 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.248 -3.304 -6.782 1.00 0.00 N ATOM 0 H GLN A 96 -2.261 -1.452 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.070 -0.601 -3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.015 -1.670 -5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.033 -2.990 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.901 -4.126 -4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.348 -2.839 -3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.506 -3.969 -7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.985 -3.121 -7.463 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.307 -2.028 -1.802 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.376 -2.721 -0.526 1.00 0.00 C ATOM 1396 C VAL A 97 -6.747 -3.386 -0.386 1.00 0.00 C ATOM 1397 O VAL A 97 -7.689 -3.030 -1.093 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.063 -1.750 0.614 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.594 -1.324 0.584 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -5.989 -0.533 0.568 1.00 0.00 C ATOM 0 H VAL A 97 -6.101 -1.419 -2.001 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.625 -3.510 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.241 -2.270 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.398 -0.634 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.958 -2.203 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.377 -0.831 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.745 0.141 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.858 -0.012 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.025 -0.860 0.662 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.815 -4.340 0.531 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.055 -5.058 0.773 1.00 0.00 C ATOM 1412 C LEU A 98 -8.563 -4.730 2.178 1.00 0.00 C ATOM 1413 O LEU A 98 -8.024 -5.223 3.168 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.865 -6.555 0.521 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.363 -7.077 -0.828 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.824 -6.223 -1.978 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -8.020 -8.557 -1.004 1.00 0.00 C ATOM 0 H LEU A 98 -6.032 -4.632 1.115 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.825 -4.736 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.803 -6.786 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.376 -7.104 1.312 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.450 -6.994 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.193 -6.615 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.161 -5.194 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.734 -6.251 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.385 -8.903 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.939 -8.688 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.491 -9.137 -0.210 1.00 0.00 H new