USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.68 USER MOD Single : A 27 ASN : amide:sc= -0.959 K(o=-0.96,f=-0.14) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -2.34 K(o=-2.3,f=-4.3!) USER MOD Single : A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.072) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -6.52! C(o=-6.5!,f=-12!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.08 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 71 HIS : no HE2:sc= -6.94! C(o=-6.9!,f=-5.5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.31! C(o=-3.3!,f=-9.2!) USER MOD Single : A 77 THR OG1 : rot -31:sc= -2.61! USER MOD Single : A 80 ASN : amide:sc= 1.08 K(o=1.1,f=-0.35) USER MOD Single : A 81 THR OG1 : rot -87:sc= -0.767 USER MOD Single : A 83 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.6!) USER MOD Single : A 86 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.86) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.401 -2.354 -5.295 1.00 15.00 N ATOM 73 CA ILE A 6 -9.963 -2.319 -5.473 1.00 15.00 C ATOM 74 C ILE A 6 -9.527 -1.070 -6.233 1.00 15.00 C ATOM 75 O ILE A 6 -10.183 -0.651 -7.186 1.00 15.00 O ATOM 76 CB ILE A 6 -9.490 -3.579 -6.230 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.050 -4.657 -5.239 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.357 -3.253 -7.201 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.142 -5.084 -4.284 1.00 15.00 C ATOM 0 HA ILE A 6 -9.506 -2.294 -4.484 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.330 -3.956 -6.814 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.703 -5.529 -5.794 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.201 -4.286 -4.665 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.048 -4.162 -7.717 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.703 -2.521 -7.931 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.511 -2.844 -6.649 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.758 -5.851 -3.611 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.474 -4.224 -3.702 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.983 -5.486 -4.849 1.00 15.00 H new ATOM 91 N PHE A 7 -8.402 -0.500 -5.823 1.00 15.00 N ATOM 92 CA PHE A 7 -7.863 0.677 -6.485 1.00 15.00 C ATOM 93 C PHE A 7 -6.345 0.578 -6.576 1.00 15.00 C ATOM 94 O PHE A 7 -5.734 -0.264 -5.921 1.00 15.00 O ATOM 95 CB PHE A 7 -8.289 1.961 -5.762 1.00 15.00 C ATOM 96 CG PHE A 7 -7.540 2.237 -4.487 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.215 2.643 -4.517 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.167 2.099 -3.259 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.530 2.905 -3.348 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.486 2.362 -2.085 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.166 2.764 -2.131 1.00 15.00 C ATOM 0 H PHE A 7 -7.846 -0.834 -5.036 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.268 0.721 -7.496 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.154 2.805 -6.438 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.354 1.900 -5.537 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.713 2.756 -5.466 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.199 1.783 -3.219 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.498 3.220 -3.385 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.986 2.253 -1.134 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.631 2.968 -1.215 1.00 15.00 H new ATOM 111 N GLU A 8 -5.741 1.422 -7.403 1.00 15.00 N ATOM 112 CA GLU A 8 -4.294 1.399 -7.585 1.00 15.00 C ATOM 113 C GLU A 8 -3.683 2.787 -7.444 1.00 15.00 C ATOM 114 O GLU A 8 -4.265 3.789 -7.857 1.00 15.00 O ATOM 115 CB GLU A 8 -3.956 0.829 -8.958 1.00 15.00 C ATOM 116 CG GLU A 8 -4.702 1.504 -10.091 1.00 15.00 C ATOM 117 CD GLU A 8 -4.868 0.607 -11.302 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.309 -0.549 -11.128 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.558 1.060 -12.423 1.00 15.00 O ATOM 0 H GLU A 8 -6.227 2.128 -7.956 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.872 0.767 -6.804 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.884 0.927 -9.130 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.184 -0.237 -8.967 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.685 1.816 -9.738 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.168 2.408 -10.384 1.00 15.00 H new ATOM 126 N VAL A 9 -2.488 2.818 -6.874 1.00 15.00 N ATOM 127 CA VAL A 9 -1.743 4.055 -6.682 1.00 15.00 C ATOM 128 C VAL A 9 -0.669 4.168 -7.753 1.00 15.00 C ATOM 129 O VAL A 9 0.244 3.345 -7.819 1.00 15.00 O ATOM 130 CB VAL A 9 -1.106 4.138 -5.266 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.008 2.761 -4.627 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.267 4.801 -5.309 1.00 15.00 C ATOM 0 H VAL A 9 -2.006 1.987 -6.531 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.441 4.888 -6.768 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.761 4.757 -4.653 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.559 2.850 -3.638 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.005 2.331 -4.535 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.390 2.114 -5.249 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.683 4.842 -4.302 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.930 4.223 -5.952 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.170 5.813 -5.703 1.00 15.00 H new ATOM 142 N GLU A 10 -0.799 5.169 -8.607 1.00 15.00 N ATOM 143 CA GLU A 10 0.148 5.359 -9.692 1.00 15.00 C ATOM 144 C GLU A 10 1.092 6.530 -9.441 1.00 15.00 C ATOM 145 O GLU A 10 0.992 7.571 -10.090 1.00 15.00 O ATOM 146 CB GLU A 10 -0.609 5.560 -10.998 1.00 15.00 C ATOM 147 CG GLU A 10 0.291 5.754 -12.208 1.00 15.00 C ATOM 148 CD GLU A 10 -0.256 6.778 -13.183 1.00 15.00 C ATOM 149 OE1 GLU A 10 -1.328 6.523 -13.772 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.388 7.834 -13.359 1.00 15.00 O ATOM 0 H GLU A 10 -1.548 5.860 -8.570 1.00 15.00 H new ATOM 0 HA GLU A 10 0.765 4.463 -9.755 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.252 4.697 -11.170 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.261 6.428 -10.899 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.280 6.068 -11.874 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.415 4.800 -12.720 1.00 15.00 H new ATOM 157 N LEU A 11 2.026 6.339 -8.519 1.00 15.00 N ATOM 158 CA LEU A 11 3.009 7.368 -8.210 1.00 15.00 C ATOM 159 C LEU A 11 4.209 7.218 -9.136 1.00 15.00 C ATOM 160 O LEU A 11 4.393 6.172 -9.755 1.00 15.00 O ATOM 161 CB LEU A 11 3.459 7.269 -6.749 1.00 15.00 C ATOM 162 CG LEU A 11 3.622 8.605 -6.018 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.307 9.369 -5.985 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.141 8.377 -4.605 1.00 15.00 C ATOM 0 H LEU A 11 2.123 5.483 -7.973 1.00 15.00 H new ATOM 0 HA LEU A 11 2.552 8.346 -8.360 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.735 6.663 -6.204 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.410 6.738 -6.715 1.00 15.00 H new ATOM 0 HG LEU A 11 4.350 9.205 -6.564 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.448 10.314 -5.461 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.975 9.566 -7.004 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.554 8.775 -5.466 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.251 9.336 -4.099 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.435 7.755 -4.054 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.108 7.876 -4.649 1.00 15.00 H new ATOM 176 N ALA A 12 5.021 8.259 -9.239 1.00 15.00 N ATOM 177 CA ALA A 12 6.195 8.212 -10.103 1.00 15.00 C ATOM 178 C ALA A 12 7.447 7.851 -9.317 1.00 15.00 C ATOM 179 O ALA A 12 8.116 8.720 -8.758 1.00 15.00 O ATOM 180 CB ALA A 12 6.389 9.531 -10.828 1.00 15.00 C ATOM 0 H ALA A 12 4.892 9.140 -8.741 1.00 15.00 H new ATOM 0 HA ALA A 12 6.024 7.432 -10.845 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.271 9.469 -11.466 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.512 9.742 -11.441 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.523 10.330 -10.099 1.00 15.00 H new ATOM 186 N LYS A 13 7.761 6.563 -9.285 1.00 15.00 N ATOM 187 CA LYS A 13 8.937 6.079 -8.576 1.00 15.00 C ATOM 188 C LYS A 13 10.205 6.743 -9.115 1.00 15.00 C ATOM 189 O LYS A 13 11.185 6.920 -8.392 1.00 15.00 O ATOM 190 CB LYS A 13 9.032 4.557 -8.706 1.00 15.00 C ATOM 191 CG LYS A 13 9.597 3.877 -7.474 1.00 15.00 C ATOM 192 CD LYS A 13 10.958 4.439 -7.114 1.00 15.00 C ATOM 193 CE LYS A 13 10.860 5.436 -5.971 1.00 15.00 C ATOM 194 NZ LYS A 13 12.174 5.645 -5.302 1.00 15.00 N ATOM 0 H LYS A 13 7.216 5.833 -9.743 1.00 15.00 H new ATOM 0 HA LYS A 13 8.842 6.339 -7.522 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.039 4.155 -8.909 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.657 4.312 -9.565 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.913 4.009 -6.636 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.679 2.805 -7.652 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.627 3.625 -6.833 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.395 4.925 -7.986 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.490 6.389 -6.351 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.133 5.081 -5.241 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.064 6.332 -4.528 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.515 4.741 -4.917 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.861 6.009 -5.993 1.00 15.00 H new ATOM 259 N LEU A 18 8.401 6.646 -1.604 1.00 15.00 N ATOM 260 CA LEU A 18 7.213 6.820 -0.791 1.00 15.00 C ATOM 261 C LEU A 18 7.573 7.394 0.573 1.00 15.00 C ATOM 262 O LEU A 18 8.729 7.727 0.835 1.00 15.00 O ATOM 263 CB LEU A 18 6.466 5.491 -0.627 1.00 15.00 C ATOM 264 CG LEU A 18 5.996 4.846 -1.933 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.163 5.826 -2.743 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.187 4.357 -2.745 1.00 15.00 C ATOM 0 HA LEU A 18 6.556 7.524 -1.301 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.116 4.788 -0.106 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.598 5.656 0.012 1.00 15.00 H new ATOM 0 HG LEU A 18 5.372 3.987 -1.687 1.00 15.00 H new ATOM 0 HD11 LEU A 18 4.838 5.350 -3.668 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.290 6.127 -2.164 1.00 15.00 H new ATOM 0 HD13 LEU A 18 5.763 6.705 -2.979 1.00 15.00 H new ATOM 0 HD21 LEU A 18 6.834 3.901 -3.670 1.00 15.00 H new ATOM 0 HD22 LEU A 18 7.837 5.199 -2.981 1.00 15.00 H new ATOM 0 HD23 LEU A 18 7.744 3.620 -2.167 1.00 15.00 H new ATOM 278 N GLY A 19 6.574 7.510 1.434 1.00 15.00 N ATOM 279 CA GLY A 19 6.789 8.047 2.762 1.00 15.00 C ATOM 280 C GLY A 19 5.671 7.668 3.698 1.00 15.00 C ATOM 281 O GLY A 19 5.151 8.505 4.428 1.00 15.00 O ATOM 0 H GLY A 19 5.611 7.240 1.235 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.736 7.678 3.156 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.868 9.133 2.708 1.00 15.00 H new ATOM 285 N ILE A 20 5.293 6.401 3.652 1.00 15.00 N ATOM 286 CA ILE A 20 4.219 5.887 4.483 1.00 15.00 C ATOM 287 C ILE A 20 4.743 4.903 5.524 1.00 15.00 C ATOM 288 O ILE A 20 5.580 4.052 5.223 1.00 15.00 O ATOM 289 CB ILE A 20 3.141 5.204 3.611 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.781 5.841 3.868 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.085 3.711 3.878 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.614 4.894 3.707 1.00 15.00 C ATOM 0 H ILE A 20 5.720 5.704 3.041 1.00 15.00 H new ATOM 0 HA ILE A 20 3.774 6.733 5.007 1.00 15.00 H new ATOM 0 HB ILE A 20 3.408 5.347 2.564 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.768 6.248 4.879 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.650 6.680 3.185 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.318 3.258 3.250 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.052 3.264 3.649 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.845 3.538 4.927 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.316 5.426 3.907 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.598 4.506 2.689 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.717 4.067 4.409 1.00 15.00 H new ATOM 304 N SER A 21 4.214 4.997 6.735 1.00 15.00 N ATOM 305 CA SER A 21 4.595 4.084 7.799 1.00 15.00 C ATOM 306 C SER A 21 3.629 2.908 7.778 1.00 15.00 C ATOM 307 O SER A 21 2.478 3.032 8.193 1.00 15.00 O ATOM 308 CB SER A 21 4.569 4.793 9.157 1.00 15.00 C ATOM 309 OG SER A 21 4.553 3.858 10.222 1.00 15.00 O ATOM 0 H SER A 21 3.521 5.695 7.004 1.00 15.00 H new ATOM 0 HA SER A 21 5.614 3.729 7.643 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.442 5.439 9.250 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.690 5.434 9.219 1.00 15.00 H new ATOM 0 HG SER A 21 4.538 4.336 11.077 1.00 15.00 H new ATOM 315 N VAL A 22 4.082 1.782 7.237 1.00 15.00 N ATOM 316 CA VAL A 22 3.221 0.612 7.105 1.00 15.00 C ATOM 317 C VAL A 22 3.347 -0.356 8.275 1.00 15.00 C ATOM 318 O VAL A 22 4.365 -0.397 8.965 1.00 15.00 O ATOM 319 CB VAL A 22 3.519 -0.138 5.796 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.232 0.750 4.595 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.960 -0.617 5.776 1.00 15.00 C ATOM 0 H VAL A 22 5.031 1.655 6.886 1.00 15.00 H new ATOM 0 HA VAL A 22 2.199 0.990 7.097 1.00 15.00 H new ATOM 0 HB VAL A 22 2.866 -1.009 5.740 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.449 0.203 3.678 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.183 1.044 4.603 1.00 15.00 H new ATOM 0 HG13 VAL A 22 3.859 1.640 4.643 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.155 -1.146 4.843 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.629 0.240 5.854 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.132 -1.289 6.617 1.00 15.00 H new ATOM 331 N THR A 23 2.283 -1.131 8.487 1.00 15.00 N ATOM 332 CA THR A 23 2.234 -2.107 9.568 1.00 15.00 C ATOM 333 C THR A 23 1.363 -3.306 9.183 1.00 15.00 C ATOM 334 O THR A 23 0.861 -3.389 8.059 1.00 15.00 O ATOM 335 CB THR A 23 1.689 -1.448 10.838 1.00 15.00 C ATOM 336 OG1 THR A 23 1.668 -0.038 10.702 1.00 15.00 O ATOM 337 CG2 THR A 23 2.492 -1.772 12.076 1.00 15.00 C ATOM 0 H THR A 23 1.438 -1.098 7.917 1.00 15.00 H new ATOM 0 HA THR A 23 3.246 -2.467 9.754 1.00 15.00 H new ATOM 0 HB THR A 23 0.684 -1.852 10.960 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.790 0.377 11.581 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.050 -1.272 12.938 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.489 -2.850 12.240 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.518 -1.428 11.944 1.00 15.00 H new ATOM 345 N GLY A 24 1.184 -4.231 10.126 1.00 15.00 N ATOM 346 CA GLY A 24 0.372 -5.411 9.872 1.00 15.00 C ATOM 347 C GLY A 24 1.013 -6.356 8.875 1.00 15.00 C ATOM 348 O GLY A 24 2.110 -6.859 9.107 1.00 15.00 O ATOM 0 H GLY A 24 1.587 -4.184 11.062 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.202 -5.939 10.810 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.604 -5.102 9.498 1.00 15.00 H new ATOM 352 N GLY A 25 0.330 -6.593 7.759 1.00 15.00 N ATOM 353 CA GLY A 25 0.861 -7.474 6.735 1.00 15.00 C ATOM 354 C GLY A 25 0.919 -8.928 7.156 1.00 15.00 C ATOM 355 O GLY A 25 0.217 -9.766 6.591 1.00 15.00 O ATOM 0 H GLY A 25 -0.582 -6.190 7.546 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.246 -7.388 5.839 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.864 -7.142 6.466 1.00 15.00 H new ATOM 359 N VAL A 26 1.771 -9.228 8.137 1.00 15.00 N ATOM 360 CA VAL A 26 1.944 -10.598 8.636 1.00 15.00 C ATOM 361 C VAL A 26 0.670 -11.427 8.491 1.00 15.00 C ATOM 362 O VAL A 26 -0.436 -10.923 8.682 1.00 15.00 O ATOM 363 CB VAL A 26 2.376 -10.607 10.113 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.878 -10.401 10.234 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.621 -9.545 10.892 1.00 15.00 C ATOM 0 H VAL A 26 2.357 -8.537 8.606 1.00 15.00 H new ATOM 0 HA VAL A 26 2.727 -11.046 8.024 1.00 15.00 H new ATOM 0 HB VAL A 26 2.133 -11.581 10.538 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.163 -10.411 11.286 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.399 -11.202 9.710 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.150 -9.442 9.793 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.938 -9.564 11.935 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.831 -8.564 10.467 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.551 -9.743 10.834 1.00 15.00 H new ATOM 375 N ASN A 27 0.836 -12.699 8.145 1.00 15.00 N ATOM 376 CA ASN A 27 -0.299 -13.596 7.965 1.00 15.00 C ATOM 377 C ASN A 27 -0.882 -14.020 9.310 1.00 15.00 C ATOM 378 O ASN A 27 -0.895 -15.204 9.648 1.00 15.00 O ATOM 379 CB ASN A 27 0.126 -14.832 7.168 1.00 15.00 C ATOM 380 CG ASN A 27 1.335 -15.521 7.771 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.208 -16.338 8.682 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.517 -15.193 7.262 1.00 15.00 N ATOM 0 H ASN A 27 1.745 -13.132 7.984 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.069 -13.059 7.412 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.705 -15.536 7.123 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.352 -14.540 6.142 1.00 15.00 H new ATOM 0 HD21 ASN A 27 3.367 -15.624 7.626 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.575 -14.510 6.507 1.00 15.00 H new ATOM 389 N THR A 28 -1.365 -13.046 10.075 1.00 15.00 N ATOM 390 CA THR A 28 -1.950 -13.321 11.382 1.00 15.00 C ATOM 391 C THR A 28 -3.001 -12.277 11.744 1.00 15.00 C ATOM 392 O THR A 28 -4.128 -12.615 12.105 1.00 15.00 O ATOM 393 CB THR A 28 -0.860 -13.357 12.455 1.00 15.00 C ATOM 394 OG1 THR A 28 0.276 -14.063 11.991 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.311 -14.008 13.745 1.00 15.00 C ATOM 0 H THR A 28 -1.363 -12.060 9.812 1.00 15.00 H new ATOM 0 HA THR A 28 -2.437 -14.295 11.333 1.00 15.00 H new ATOM 0 HB THR A 28 -0.620 -12.313 12.659 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.963 -14.074 12.690 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.491 -14.001 14.463 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.157 -13.456 14.155 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.611 -15.037 13.548 1.00 15.00 H new ATOM 403 N SER A 29 -2.623 -11.006 11.650 1.00 15.00 N ATOM 404 CA SER A 29 -3.532 -9.912 11.972 1.00 15.00 C ATOM 405 C SER A 29 -4.398 -9.543 10.772 1.00 15.00 C ATOM 406 O SER A 29 -5.605 -9.340 10.905 1.00 15.00 O ATOM 407 CB SER A 29 -2.742 -8.688 12.439 1.00 15.00 C ATOM 408 OG SER A 29 -3.402 -8.031 13.507 1.00 15.00 O ATOM 0 H SER A 29 -1.694 -10.708 11.353 1.00 15.00 H new ATOM 0 HA SER A 29 -4.187 -10.246 12.776 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.745 -8.994 12.757 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.612 -7.996 11.607 1.00 15.00 H new ATOM 0 HG SER A 29 -2.876 -7.253 13.788 1.00 15.00 H new ATOM 414 N VAL A 30 -3.776 -9.455 9.601 1.00 15.00 N ATOM 415 CA VAL A 30 -4.495 -9.107 8.381 1.00 15.00 C ATOM 416 C VAL A 30 -5.418 -10.239 7.941 1.00 15.00 C ATOM 417 O VAL A 30 -5.577 -11.234 8.648 1.00 15.00 O ATOM 418 CB VAL A 30 -3.523 -8.764 7.232 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.566 -7.661 7.655 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.757 -10.000 6.784 1.00 15.00 C ATOM 0 H VAL A 30 -2.778 -9.619 9.471 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.096 -8.227 8.609 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.108 -8.405 6.385 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -1.888 -7.432 6.833 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.133 -6.768 7.917 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -1.990 -7.991 8.519 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.078 -9.734 5.974 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.184 -10.396 7.622 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.460 -10.757 6.435 1.00 15.00 H new ATOM 430 N ARG A 31 -6.025 -10.079 6.770 1.00 15.00 N ATOM 431 CA ARG A 31 -6.935 -11.086 6.235 1.00 15.00 C ATOM 432 C ARG A 31 -6.237 -12.435 6.091 1.00 15.00 C ATOM 433 O ARG A 31 -6.733 -13.455 6.569 1.00 15.00 O ATOM 434 CB ARG A 31 -7.485 -10.637 4.881 1.00 15.00 C ATOM 435 CG ARG A 31 -8.784 -9.853 4.982 1.00 15.00 C ATOM 436 CD ARG A 31 -9.987 -10.779 5.055 1.00 15.00 C ATOM 437 NE ARG A 31 -10.146 -11.366 6.384 1.00 15.00 N ATOM 438 CZ ARG A 31 -10.843 -12.473 6.627 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.450 -13.114 5.636 1.00 15.00 N ATOM 440 NH2 ARG A 31 -10.934 -12.940 7.864 1.00 15.00 N ATOM 0 H ARG A 31 -5.903 -9.261 6.173 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.761 -11.200 6.937 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.737 -10.022 4.380 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.648 -11.514 4.255 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.759 -9.217 5.867 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.882 -9.195 4.119 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.888 -10.224 4.794 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.877 -11.575 4.318 1.00 15.00 H new ATOM 0 HE ARG A 31 -9.696 -10.900 7.172 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.383 -12.758 4.682 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -11.983 -13.962 5.828 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -10.470 -12.451 8.629 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -11.468 -13.789 8.051 1.00 15.00 H new ATOM 454 N HIS A 32 -5.084 -12.435 5.429 1.00 15.00 N ATOM 455 CA HIS A 32 -4.323 -13.661 5.222 1.00 15.00 C ATOM 456 C HIS A 32 -2.835 -13.362 5.059 1.00 15.00 C ATOM 457 O HIS A 32 -1.991 -14.016 5.669 1.00 15.00 O ATOM 458 CB HIS A 32 -4.842 -14.405 3.990 1.00 15.00 C ATOM 459 CG HIS A 32 -4.971 -13.535 2.778 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.128 -12.856 2.459 1.00 15.00 N ATOM 461 CD2 HIS A 32 -4.078 -13.231 1.806 1.00 15.00 C ATOM 462 CE1 HIS A 32 -5.941 -12.174 1.343 1.00 15.00 C ATOM 463 NE2 HIS A 32 -4.706 -12.384 0.927 1.00 15.00 N ATOM 0 H HIS A 32 -4.657 -11.600 5.027 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.453 -14.290 6.102 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.169 -15.232 3.764 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.815 -14.840 4.221 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -6.993 -12.877 3.000 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -3.061 -13.588 1.736 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -6.675 -11.550 0.854 1.00 15.00 H new ATOM 472 N GLY A 33 -2.523 -12.374 4.227 1.00 15.00 N ATOM 473 CA GLY A 33 -1.135 -12.009 3.994 1.00 15.00 C ATOM 474 C GLY A 33 -0.987 -10.685 3.265 1.00 15.00 C ATOM 475 O GLY A 33 0.071 -10.394 2.708 1.00 15.00 O ATOM 0 H GLY A 33 -3.205 -11.819 3.710 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.614 -11.952 4.950 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.651 -12.794 3.413 1.00 15.00 H new ATOM 479 N GLY A 34 -2.036 -9.869 3.289 1.00 15.00 N ATOM 480 CA GLY A 34 -1.974 -8.571 2.648 1.00 15.00 C ATOM 481 C GLY A 34 -1.481 -7.529 3.624 1.00 15.00 C ATOM 482 O GLY A 34 -1.668 -7.684 4.831 1.00 15.00 O ATOM 0 H GLY A 34 -2.925 -10.084 3.740 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.309 -8.615 1.785 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -2.960 -8.294 2.276 1.00 15.00 H new ATOM 486 N ILE A 35 -0.842 -6.473 3.135 1.00 15.00 N ATOM 487 CA ILE A 35 -0.335 -5.451 4.042 1.00 15.00 C ATOM 488 C ILE A 35 -1.290 -4.270 4.148 1.00 15.00 C ATOM 489 O ILE A 35 -1.987 -3.928 3.193 1.00 15.00 O ATOM 490 CB ILE A 35 1.079 -4.977 3.646 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.697 -4.138 4.771 1.00 15.00 C ATOM 492 CG2 ILE A 35 1.049 -4.210 2.337 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.452 -2.652 4.642 1.00 15.00 C ATOM 0 H ILE A 35 -0.666 -6.304 2.145 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.264 -5.915 5.026 1.00 15.00 H new ATOM 0 HB ILE A 35 1.707 -5.855 3.496 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.297 -4.479 5.726 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.772 -4.317 4.794 1.00 15.00 H new ATOM 0 HG21 ILE A 35 2.058 -3.887 2.081 1.00 15.00 H new ATOM 0 HG22 ILE A 35 0.662 -4.854 1.547 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.405 -3.337 2.441 1.00 15.00 H new ATOM 0 HD11 ILE A 35 1.922 -2.132 5.477 1.00 15.00 H new ATOM 0 HD12 ILE A 35 1.878 -2.293 3.705 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.379 -2.458 4.651 1.00 15.00 H new ATOM 505 N TYR A 36 -1.322 -3.663 5.329 1.00 15.00 N ATOM 506 CA TYR A 36 -2.191 -2.531 5.594 1.00 15.00 C ATOM 507 C TYR A 36 -1.395 -1.414 6.238 1.00 15.00 C ATOM 508 O TYR A 36 -0.904 -1.552 7.358 1.00 15.00 O ATOM 509 CB TYR A 36 -3.337 -2.939 6.523 1.00 15.00 C ATOM 510 CG TYR A 36 -4.275 -3.972 5.939 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.816 -5.226 5.553 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.626 -3.691 5.781 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.678 -6.168 5.024 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.493 -4.628 5.254 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.014 -5.865 4.877 1.00 15.00 C ATOM 516 OH TYR A 36 -6.875 -6.801 4.352 1.00 15.00 O ATOM 0 H TYR A 36 -0.748 -3.943 6.124 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.609 -2.187 4.648 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.916 -3.330 7.449 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.911 -2.050 6.784 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.770 -5.468 5.668 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.005 -2.723 6.075 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.306 -7.137 4.727 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.541 -4.393 5.138 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.770 -6.670 4.729 1.00 15.00 H new ATOM 526 N VAL A 37 -1.255 -0.315 5.521 1.00 15.00 N ATOM 527 CA VAL A 37 -0.494 0.819 6.033 1.00 15.00 C ATOM 528 C VAL A 37 -1.024 1.273 7.388 1.00 15.00 C ATOM 529 O VAL A 37 -2.159 0.984 7.759 1.00 15.00 O ATOM 530 CB VAL A 37 -0.474 2.030 5.055 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.612 1.589 3.613 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.547 3.057 5.380 1.00 15.00 C ATOM 0 H VAL A 37 -1.652 -0.179 4.591 1.00 15.00 H new ATOM 0 HA VAL A 37 0.530 0.462 6.141 1.00 15.00 H new ATOM 0 HB VAL A 37 0.499 2.503 5.188 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.594 2.463 2.962 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.214 0.926 3.355 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.556 1.060 3.483 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.490 3.881 4.668 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.530 2.590 5.316 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.392 3.438 6.389 1.00 15.00 H new ATOM 542 N LYS A 38 -0.196 2.012 8.107 1.00 15.00 N ATOM 543 CA LYS A 38 -0.574 2.545 9.401 1.00 15.00 C ATOM 544 C LYS A 38 -1.171 3.929 9.196 1.00 15.00 C ATOM 545 O LYS A 38 -2.225 4.253 9.740 1.00 15.00 O ATOM 546 CB LYS A 38 0.642 2.573 10.345 1.00 15.00 C ATOM 547 CG LYS A 38 1.182 3.960 10.681 1.00 15.00 C ATOM 548 CD LYS A 38 1.643 4.029 12.127 1.00 15.00 C ATOM 549 CE LYS A 38 0.717 4.895 12.966 1.00 15.00 C ATOM 550 NZ LYS A 38 1.123 4.920 14.398 1.00 15.00 N ATOM 0 H LYS A 38 0.749 2.257 7.812 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.322 1.908 9.872 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.370 2.073 11.275 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.444 1.990 9.893 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.013 4.201 10.019 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.408 4.708 10.506 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.682 3.024 12.546 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.655 4.431 12.169 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.715 5.911 12.572 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.303 4.520 12.885 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.466 5.521 14.935 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 1.100 3.954 14.782 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.087 5.302 14.479 1.00 15.00 H new ATOM 564 N ALA A 39 -0.485 4.730 8.383 1.00 15.00 N ATOM 565 CA ALA A 39 -0.933 6.075 8.061 1.00 15.00 C ATOM 566 C ALA A 39 -0.056 6.674 6.970 1.00 15.00 C ATOM 567 O ALA A 39 0.953 6.082 6.592 1.00 15.00 O ATOM 568 CB ALA A 39 -0.935 6.947 9.301 1.00 15.00 C ATOM 0 H ALA A 39 0.391 4.463 7.934 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.956 6.025 7.687 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.273 7.950 9.040 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.607 6.520 10.045 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.074 6.999 9.711 1.00 15.00 H new ATOM 574 N VAL A 40 -0.428 7.853 6.483 1.00 15.00 N ATOM 575 CA VAL A 40 0.352 8.524 5.444 1.00 15.00 C ATOM 576 C VAL A 40 1.283 9.544 6.087 1.00 15.00 C ATOM 577 O VAL A 40 0.838 10.559 6.624 1.00 15.00 O ATOM 578 CB VAL A 40 -0.537 9.228 4.390 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.485 8.482 3.065 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.973 9.352 4.874 1.00 15.00 C ATOM 0 H VAL A 40 -1.258 8.362 6.787 1.00 15.00 H new ATOM 0 HA VAL A 40 0.925 7.757 4.923 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.145 10.234 4.241 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.116 8.991 2.336 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.542 8.457 2.702 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.844 7.463 3.207 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.572 9.850 4.112 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.380 8.359 5.063 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.998 9.936 5.794 1.00 15.00 H new ATOM 590 N ILE A 41 2.574 9.235 6.076 1.00 15.00 N ATOM 591 CA ILE A 41 3.574 10.086 6.706 1.00 15.00 C ATOM 592 C ILE A 41 3.943 11.314 5.871 1.00 15.00 C ATOM 593 O ILE A 41 4.488 11.194 4.772 1.00 15.00 O ATOM 594 CB ILE A 41 4.833 9.258 7.072 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.568 8.398 8.315 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.048 10.146 7.297 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.148 7.877 8.415 1.00 15.00 C ATOM 0 H ILE A 41 2.954 8.397 5.635 1.00 15.00 H new ATOM 0 HA ILE A 41 3.123 10.474 7.619 1.00 15.00 H new ATOM 0 HB ILE A 41 5.051 8.605 6.227 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.255 7.552 8.311 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.792 8.986 9.205 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.909 9.527 7.551 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.261 10.708 6.388 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.846 10.839 8.113 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.043 7.279 9.320 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.454 8.717 8.452 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.925 7.260 7.545 1.00 15.00 H new ATOM 609 N PRO A 42 3.644 12.523 6.412 1.00 15.00 N ATOM 610 CA PRO A 42 3.931 13.808 5.751 1.00 15.00 C ATOM 611 C PRO A 42 5.422 14.042 5.507 1.00 15.00 C ATOM 612 O PRO A 42 5.992 15.015 6.001 1.00 15.00 O ATOM 613 CB PRO A 42 3.395 14.857 6.735 1.00 15.00 C ATOM 614 CG PRO A 42 2.449 14.119 7.614 1.00 15.00 C ATOM 615 CD PRO A 42 2.997 12.728 7.721 1.00 15.00 C ATOM 0 HA PRO A 42 3.473 13.846 4.763 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.204 15.304 7.314 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.893 15.669 6.210 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.378 14.589 8.595 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.445 14.113 7.191 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.709 12.637 8.541 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.209 11.997 7.900 1.00 15.00 H new ATOM 623 N GLN A 43 6.053 13.156 4.742 1.00 15.00 N ATOM 624 CA GLN A 43 7.472 13.290 4.444 1.00 15.00 C ATOM 625 C GLN A 43 7.804 12.756 3.053 1.00 15.00 C ATOM 626 O GLN A 43 8.519 13.402 2.287 1.00 15.00 O ATOM 627 CB GLN A 43 8.305 12.555 5.496 1.00 15.00 C ATOM 628 CG GLN A 43 8.526 13.357 6.768 1.00 15.00 C ATOM 629 CD GLN A 43 9.991 13.649 7.027 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.462 13.566 8.162 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.721 13.995 5.973 1.00 15.00 N ATOM 0 H GLN A 43 5.606 12.342 4.320 1.00 15.00 H new ATOM 0 HA GLN A 43 7.717 14.352 4.466 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.810 11.618 5.749 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.273 12.298 5.066 1.00 15.00 H new ATOM 0 HG2 GLN A 43 7.979 14.297 6.700 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.114 12.809 7.615 1.00 15.00 H new ATOM 0 HE21 GLN A 43 10.290 14.051 5.050 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.713 14.204 6.086 1.00 15.00 H new ATOM 640 N GLY A 44 7.298 11.567 2.735 1.00 15.00 N ATOM 641 CA GLY A 44 7.578 10.971 1.437 1.00 15.00 C ATOM 642 C GLY A 44 6.604 11.377 0.349 1.00 15.00 C ATOM 643 O GLY A 44 5.559 11.971 0.613 1.00 15.00 O ATOM 0 H GLY A 44 6.703 11.008 3.347 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.586 11.250 1.130 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.564 9.886 1.536 1.00 15.00 H new ATOM 647 N ALA A 45 6.963 11.035 -0.882 1.00 15.00 N ATOM 648 CA ALA A 45 6.152 11.347 -2.058 1.00 15.00 C ATOM 649 C ALA A 45 4.745 10.760 -1.970 1.00 15.00 C ATOM 650 O ALA A 45 3.861 11.145 -2.736 1.00 15.00 O ATOM 651 CB ALA A 45 6.846 10.844 -3.313 1.00 15.00 C ATOM 0 H ALA A 45 7.825 10.533 -1.096 1.00 15.00 H new ATOM 0 HA ALA A 45 6.047 12.431 -2.100 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.236 11.080 -4.185 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.819 11.326 -3.409 1.00 15.00 H new ATOM 0 HB3 ALA A 45 6.981 9.765 -3.246 1.00 15.00 H new ATOM 657 N ALA A 46 4.536 9.828 -1.048 1.00 15.00 N ATOM 658 CA ALA A 46 3.231 9.202 -0.890 1.00 15.00 C ATOM 659 C ALA A 46 2.234 10.169 -0.266 1.00 15.00 C ATOM 660 O ALA A 46 1.176 10.439 -0.842 1.00 15.00 O ATOM 661 CB ALA A 46 3.347 7.943 -0.045 1.00 15.00 C ATOM 0 H ALA A 46 5.250 9.491 -0.402 1.00 15.00 H new ATOM 0 HA ALA A 46 2.864 8.928 -1.879 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.363 7.486 0.064 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.022 7.239 -0.532 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.739 8.200 0.939 1.00 15.00 H new ATOM 667 N GLU A 47 2.580 10.695 0.908 1.00 15.00 N ATOM 668 CA GLU A 47 1.718 11.648 1.602 1.00 15.00 C ATOM 669 C GLU A 47 1.439 12.857 0.711 1.00 15.00 C ATOM 670 O GLU A 47 0.311 13.346 0.641 1.00 15.00 O ATOM 671 CB GLU A 47 2.363 12.115 2.916 1.00 15.00 C ATOM 672 CG GLU A 47 3.587 12.983 2.688 1.00 15.00 C ATOM 673 CD GLU A 47 3.240 14.446 2.486 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.132 14.855 2.893 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.077 15.182 1.922 1.00 15.00 O ATOM 0 H GLU A 47 3.449 10.478 1.397 1.00 15.00 H new ATOM 0 HA GLU A 47 0.779 11.145 1.833 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.630 12.673 3.498 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.645 11.244 3.508 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.258 12.888 3.541 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.128 12.619 1.815 1.00 15.00 H new ATOM 682 N SER A 48 2.487 13.338 0.040 1.00 15.00 N ATOM 683 CA SER A 48 2.377 14.496 -0.841 1.00 15.00 C ATOM 684 C SER A 48 1.271 14.285 -1.861 1.00 15.00 C ATOM 685 O SER A 48 0.212 14.906 -1.780 1.00 15.00 O ATOM 686 CB SER A 48 3.708 14.750 -1.552 1.00 15.00 C ATOM 687 OG SER A 48 4.085 16.113 -1.459 1.00 15.00 O ATOM 0 H SER A 48 3.425 12.940 0.092 1.00 15.00 H new ATOM 0 HA SER A 48 2.130 15.368 -0.235 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.484 14.124 -1.112 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.624 14.464 -2.600 1.00 15.00 H new ATOM 0 HG SER A 48 4.939 16.248 -1.920 1.00 15.00 H new ATOM 693 N ASP A 49 1.512 13.389 -2.811 1.00 15.00 N ATOM 694 CA ASP A 49 0.515 13.088 -3.824 1.00 15.00 C ATOM 695 C ASP A 49 -0.759 12.603 -3.147 1.00 15.00 C ATOM 696 O ASP A 49 -1.869 12.959 -3.545 1.00 15.00 O ATOM 697 CB ASP A 49 1.038 12.026 -4.794 1.00 15.00 C ATOM 698 CG ASP A 49 1.276 12.581 -6.185 1.00 15.00 C ATOM 699 OD1 ASP A 49 0.287 12.939 -6.859 1.00 15.00 O ATOM 700 OD2 ASP A 49 2.452 12.658 -6.600 1.00 15.00 O ATOM 0 H ASP A 49 2.382 12.864 -2.899 1.00 15.00 H new ATOM 0 HA ASP A 49 0.301 13.992 -4.394 1.00 15.00 H new ATOM 0 HB2 ASP A 49 1.969 11.611 -4.407 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.323 11.206 -4.851 1.00 15.00 H new ATOM 705 N GLY A 50 -0.579 11.793 -2.109 1.00 15.00 N ATOM 706 CA GLY A 50 -1.704 11.269 -1.367 1.00 15.00 C ATOM 707 C GLY A 50 -2.329 10.079 -2.062 1.00 15.00 C ATOM 708 O GLY A 50 -3.551 9.925 -2.065 1.00 15.00 O ATOM 0 H GLY A 50 0.334 11.490 -1.769 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.377 10.977 -0.369 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.453 12.051 -1.241 1.00 15.00 H new ATOM 712 N ARG A 51 -1.492 9.240 -2.662 1.00 15.00 N ATOM 713 CA ARG A 51 -1.983 8.064 -3.374 1.00 15.00 C ATOM 714 C ARG A 51 -2.309 6.940 -2.400 1.00 15.00 C ATOM 715 O ARG A 51 -3.380 6.336 -2.468 1.00 15.00 O ATOM 716 CB ARG A 51 -0.957 7.583 -4.403 1.00 15.00 C ATOM 717 CG ARG A 51 -0.932 8.411 -5.677 1.00 15.00 C ATOM 718 CD ARG A 51 -1.927 7.888 -6.700 1.00 15.00 C ATOM 719 NE ARG A 51 -3.189 8.624 -6.662 1.00 15.00 N ATOM 720 CZ ARG A 51 -4.257 8.298 -7.386 1.00 15.00 C ATOM 721 NH1 ARG A 51 -4.220 7.253 -8.203 1.00 15.00 N ATOM 722 NH2 ARG A 51 -5.366 9.019 -7.291 1.00 15.00 N ATOM 0 H ARG A 51 -0.478 9.350 -2.671 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.896 8.348 -3.898 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.034 7.601 -3.950 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -1.172 6.546 -4.659 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -1.163 9.450 -5.442 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.071 8.396 -6.103 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.494 7.962 -7.698 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.118 6.831 -6.513 1.00 15.00 H new ATOM 0 HE ARG A 51 -3.255 9.434 -6.045 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.370 6.695 -8.279 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -5.042 7.008 -8.755 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -5.400 9.822 -6.664 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -6.185 8.770 -7.845 1.00 15.00 H new ATOM 736 N ILE A 52 -1.383 6.669 -1.491 1.00 15.00 N ATOM 737 CA ILE A 52 -1.569 5.628 -0.498 1.00 15.00 C ATOM 738 C ILE A 52 -2.425 6.143 0.660 1.00 15.00 C ATOM 739 O ILE A 52 -2.495 7.350 0.895 1.00 15.00 O ATOM 740 CB ILE A 52 -0.204 5.128 0.016 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.360 3.787 0.723 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.445 6.157 0.933 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.766 2.662 -0.204 1.00 15.00 C ATOM 0 H ILE A 52 -0.492 7.160 -1.423 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.089 4.791 -0.964 1.00 15.00 H new ATOM 0 HB ILE A 52 0.454 4.988 -0.842 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.582 3.528 1.206 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.106 3.885 1.512 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.406 5.779 1.281 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.598 7.087 0.386 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.204 6.342 1.789 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -0.859 1.737 0.365 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -1.723 2.900 -0.668 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.009 2.537 -0.978 1.00 15.00 H new ATOM 755 N HIS A 53 -3.089 5.235 1.371 1.00 15.00 N ATOM 756 CA HIS A 53 -3.950 5.631 2.484 1.00 15.00 C ATOM 757 C HIS A 53 -3.878 4.658 3.642 1.00 15.00 C ATOM 758 O HIS A 53 -3.427 3.525 3.505 1.00 15.00 O ATOM 759 CB HIS A 53 -5.397 5.777 2.011 1.00 15.00 C ATOM 760 CG HIS A 53 -5.567 6.771 0.905 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.803 6.408 -0.405 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.534 8.125 0.917 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.906 7.495 -1.149 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.747 8.549 -0.371 1.00 15.00 N ATOM 0 H HIS A 53 -3.049 4.230 1.200 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.586 6.593 2.844 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.761 4.806 1.675 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.018 6.075 2.855 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.371 8.754 1.780 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -6.089 7.517 -2.213 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.777 9.521 -0.677 1.00 15.00 H new ATOM 773 N LYS A 54 -4.314 5.144 4.794 1.00 15.00 N ATOM 774 CA LYS A 54 -4.302 4.378 6.028 1.00 15.00 C ATOM 775 C LYS A 54 -4.800 2.945 5.834 1.00 15.00 C ATOM 776 O LYS A 54 -5.834 2.714 5.207 1.00 15.00 O ATOM 777 CB LYS A 54 -5.159 5.084 7.084 1.00 15.00 C ATOM 778 CG LYS A 54 -4.365 5.589 8.274 1.00 15.00 C ATOM 779 CD LYS A 54 -5.113 5.368 9.579 1.00 15.00 C ATOM 780 CE LYS A 54 -5.304 3.888 9.867 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.650 3.640 11.294 1.00 15.00 N ATOM 0 H LYS A 54 -4.688 6.087 4.898 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.266 4.319 6.361 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.674 5.924 6.619 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.927 4.395 7.436 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.403 5.078 8.314 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.156 6.651 8.149 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.563 5.831 10.398 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.085 5.859 9.530 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -6.094 3.493 9.228 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.391 3.348 9.616 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.772 2.619 11.449 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.885 3.994 11.903 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.535 4.134 11.527 1.00 15.00 H new ATOM 795 N GLY A 55 -4.058 1.986 6.390 1.00 15.00 N ATOM 796 CA GLY A 55 -4.439 0.586 6.282 1.00 15.00 C ATOM 797 C GLY A 55 -4.760 0.166 4.865 1.00 15.00 C ATOM 798 O GLY A 55 -5.658 -0.646 4.643 1.00 15.00 O ATOM 0 H GLY A 55 -3.199 2.155 6.914 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.629 -0.035 6.664 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.307 0.402 6.915 1.00 15.00 H new ATOM 802 N ASP A 56 -4.024 0.707 3.902 1.00 15.00 N ATOM 803 CA ASP A 56 -4.249 0.359 2.507 1.00 15.00 C ATOM 804 C ASP A 56 -3.915 -1.106 2.269 1.00 15.00 C ATOM 805 O ASP A 56 -2.805 -1.550 2.570 1.00 15.00 O ATOM 806 CB ASP A 56 -3.410 1.241 1.583 1.00 15.00 C ATOM 807 CG ASP A 56 -4.211 1.790 0.423 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.268 1.207 0.101 1.00 15.00 O ATOM 809 OD2 ASP A 56 -3.780 2.804 -0.165 1.00 15.00 O ATOM 0 H ASP A 56 -3.275 1.381 4.059 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.302 0.526 2.282 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.993 2.069 2.156 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.569 0.663 1.199 1.00 15.00 H new ATOM 814 N ARG A 57 -4.875 -1.849 1.725 1.00 15.00 N ATOM 815 CA ARG A 57 -4.675 -3.264 1.440 1.00 15.00 C ATOM 816 C ARG A 57 -3.965 -3.432 0.104 1.00 15.00 C ATOM 817 O ARG A 57 -4.602 -3.677 -0.920 1.00 15.00 O ATOM 818 CB ARG A 57 -6.013 -4.013 1.407 1.00 15.00 C ATOM 819 CG ARG A 57 -7.096 -3.397 2.279 1.00 15.00 C ATOM 820 CD ARG A 57 -8.280 -4.340 2.440 1.00 15.00 C ATOM 821 NE ARG A 57 -9.559 -3.644 2.321 1.00 15.00 N ATOM 822 CZ ARG A 57 -10.696 -4.083 2.855 1.00 15.00 C ATOM 823 NH1 ARG A 57 -10.722 -5.220 3.539 1.00 15.00 N ATOM 824 NH2 ARG A 57 -11.813 -3.385 2.701 1.00 15.00 N ATOM 0 H ARG A 57 -5.798 -1.494 1.474 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.061 -3.685 2.236 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.370 -4.051 0.378 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -5.848 -5.042 1.726 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.684 -3.157 3.259 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.433 -2.460 1.836 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.223 -5.124 1.685 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.223 -4.829 3.412 1.00 15.00 H new ATOM 0 HE ARG A 57 -9.582 -2.769 1.797 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.867 -5.763 3.658 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -11.597 -5.551 3.946 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -11.800 -2.512 2.173 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -12.685 -3.721 3.110 1.00 15.00 H new ATOM 838 N VAL A 58 -2.645 -3.290 0.114 1.00 15.00 N ATOM 839 CA VAL A 58 -1.866 -3.419 -1.109 1.00 15.00 C ATOM 840 C VAL A 58 -1.654 -4.890 -1.463 1.00 15.00 C ATOM 841 O VAL A 58 -1.090 -5.666 -0.678 1.00 15.00 O ATOM 842 CB VAL A 58 -0.510 -2.677 -1.008 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.656 -1.406 -0.182 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.569 -3.567 -0.421 1.00 15.00 C ATOM 0 H VAL A 58 -2.096 -3.087 0.949 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.436 -2.949 -1.910 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.206 -2.407 -2.019 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.307 -0.898 -0.122 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.385 -0.747 -0.654 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -0.994 -1.662 0.822 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.506 -3.014 -0.365 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.275 -3.884 0.579 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.702 -4.444 -1.055 1.00 15.00 H new ATOM 854 N LEU A 59 -2.146 -5.267 -2.642 1.00 15.00 N ATOM 855 CA LEU A 59 -2.043 -6.643 -3.118 1.00 15.00 C ATOM 856 C LEU A 59 -1.028 -6.796 -4.254 1.00 15.00 C ATOM 857 O LEU A 59 -0.666 -7.915 -4.612 1.00 15.00 O ATOM 858 CB LEU A 59 -3.412 -7.146 -3.580 1.00 15.00 C ATOM 859 CG LEU A 59 -4.282 -7.759 -2.482 1.00 15.00 C ATOM 860 CD1 LEU A 59 -3.699 -9.085 -2.019 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.419 -6.797 -1.312 1.00 15.00 C ATOM 0 H LEU A 59 -2.621 -4.635 -3.286 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.690 -7.243 -2.280 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.954 -6.315 -4.030 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.263 -7.890 -4.362 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.275 -7.945 -2.892 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.331 -9.507 -1.237 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -3.653 -9.776 -2.861 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -2.695 -8.924 -1.626 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.041 -7.249 -0.540 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.433 -6.580 -0.902 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -4.881 -5.871 -1.654 1.00 15.00 H new ATOM 873 N ALA A 60 -0.593 -5.684 -4.845 1.00 15.00 N ATOM 874 CA ALA A 60 0.353 -5.749 -5.959 1.00 15.00 C ATOM 875 C ALA A 60 1.273 -4.531 -6.027 1.00 15.00 C ATOM 876 O ALA A 60 0.903 -3.426 -5.630 1.00 15.00 O ATOM 877 CB ALA A 60 -0.405 -5.902 -7.268 1.00 15.00 C ATOM 0 H ALA A 60 -0.875 -4.741 -4.577 1.00 15.00 H new ATOM 0 HA ALA A 60 0.990 -6.618 -5.790 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.303 -5.950 -8.095 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -0.995 -6.818 -7.242 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.068 -5.048 -7.407 1.00 15.00 H new ATOM 883 N VAL A 61 2.470 -4.755 -6.564 1.00 15.00 N ATOM 884 CA VAL A 61 3.471 -3.706 -6.737 1.00 15.00 C ATOM 885 C VAL A 61 4.175 -3.902 -8.069 1.00 15.00 C ATOM 886 O VAL A 61 5.040 -4.768 -8.200 1.00 15.00 O ATOM 887 CB VAL A 61 4.520 -3.715 -5.610 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.416 -2.490 -5.703 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.846 -3.791 -4.250 1.00 15.00 C ATOM 0 H VAL A 61 2.774 -5.672 -6.892 1.00 15.00 H new ATOM 0 HA VAL A 61 2.955 -2.747 -6.707 1.00 15.00 H new ATOM 0 HB VAL A 61 5.143 -4.601 -5.728 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.151 -2.515 -4.898 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.931 -2.488 -6.664 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.810 -1.588 -5.614 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.605 -3.796 -3.468 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.195 -2.927 -4.118 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.254 -4.704 -4.188 1.00 15.00 H new ATOM 899 N ASN A 62 3.777 -3.124 -9.070 1.00 15.00 N ATOM 900 CA ASN A 62 4.352 -3.257 -10.399 1.00 15.00 C ATOM 901 C ASN A 62 3.997 -4.626 -10.982 1.00 15.00 C ATOM 902 O ASN A 62 4.591 -5.069 -11.965 1.00 15.00 O ATOM 903 CB ASN A 62 5.872 -3.076 -10.356 1.00 15.00 C ATOM 904 CG ASN A 62 6.285 -1.774 -9.696 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.297 -1.716 -8.998 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.506 -0.718 -9.915 1.00 15.00 N ATOM 0 H ASN A 62 3.063 -2.400 -8.985 1.00 15.00 H new ATOM 0 HA ASN A 62 3.937 -2.477 -11.037 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.319 -3.911 -9.816 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.267 -3.106 -11.372 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.739 0.183 -9.498 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.676 -0.809 -10.500 1.00 15.00 H new ATOM 913 N GLY A 63 3.014 -5.287 -10.364 1.00 15.00 N ATOM 914 CA GLY A 63 2.577 -6.591 -10.824 1.00 15.00 C ATOM 915 C GLY A 63 3.008 -7.729 -9.915 1.00 15.00 C ATOM 916 O GLY A 63 2.796 -8.897 -10.242 1.00 15.00 O ATOM 0 H GLY A 63 2.513 -4.935 -9.548 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.490 -6.593 -10.906 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.972 -6.766 -11.825 1.00 15.00 H new ATOM 920 N VAL A 64 3.596 -7.403 -8.767 1.00 15.00 N ATOM 921 CA VAL A 64 4.027 -8.430 -7.825 1.00 15.00 C ATOM 922 C VAL A 64 2.942 -8.691 -6.781 1.00 15.00 C ATOM 923 O VAL A 64 2.736 -7.896 -5.864 1.00 15.00 O ATOM 924 CB VAL A 64 5.357 -8.057 -7.130 1.00 15.00 C ATOM 925 CG1 VAL A 64 5.149 -6.992 -6.067 1.00 15.00 C ATOM 926 CG2 VAL A 64 6.009 -9.294 -6.532 1.00 15.00 C ATOM 0 H VAL A 64 3.783 -6.446 -8.469 1.00 15.00 H new ATOM 0 HA VAL A 64 4.198 -9.341 -8.398 1.00 15.00 H new ATOM 0 HB VAL A 64 6.024 -7.642 -7.885 1.00 15.00 H new ATOM 0 HG11 VAL A 64 6.104 -6.754 -5.599 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.737 -6.094 -6.527 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.457 -7.363 -5.311 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.944 -9.014 -6.047 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.338 -9.740 -5.798 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.213 -10.016 -7.323 1.00 15.00 H new ATOM 936 N SER A 65 2.239 -9.805 -6.936 1.00 15.00 N ATOM 937 CA SER A 65 1.164 -10.168 -6.019 1.00 15.00 C ATOM 938 C SER A 65 1.660 -10.226 -4.579 1.00 15.00 C ATOM 939 O SER A 65 2.711 -10.800 -4.293 1.00 15.00 O ATOM 940 CB SER A 65 0.558 -11.515 -6.418 1.00 15.00 C ATOM 941 OG SER A 65 1.493 -12.302 -7.136 1.00 15.00 O ATOM 0 H SER A 65 2.393 -10.475 -7.689 1.00 15.00 H new ATOM 0 HA SER A 65 0.397 -9.397 -6.083 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.236 -12.051 -5.525 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.330 -11.351 -7.029 1.00 15.00 H new ATOM 0 HG SER A 65 1.082 -13.158 -7.378 1.00 15.00 H new ATOM 947 N LEU A 66 0.890 -9.629 -3.676 1.00 15.00 N ATOM 948 CA LEU A 66 1.236 -9.606 -2.261 1.00 15.00 C ATOM 949 C LEU A 66 0.494 -10.705 -1.503 1.00 15.00 C ATOM 950 O LEU A 66 0.911 -11.111 -0.418 1.00 15.00 O ATOM 951 CB LEU A 66 0.907 -8.238 -1.658 1.00 15.00 C ATOM 952 CG LEU A 66 2.035 -7.602 -0.844 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.495 -8.545 0.256 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.198 -7.227 -1.749 1.00 15.00 C ATOM 0 H LEU A 66 0.017 -9.152 -3.902 1.00 15.00 H new ATOM 0 HA LEU A 66 2.307 -9.787 -2.168 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.634 -7.558 -2.465 1.00 15.00 H new ATOM 0 HB3 LEU A 66 0.031 -8.341 -1.018 1.00 15.00 H new ATOM 0 HG LEU A 66 1.655 -6.692 -0.379 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.298 -8.076 0.825 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.659 -8.764 0.921 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.858 -9.472 -0.188 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.992 -6.776 -1.153 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.578 -8.122 -2.242 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.859 -6.514 -2.501 1.00 15.00 H new ATOM 966 N GLU A 67 -0.609 -11.181 -2.081 1.00 15.00 N ATOM 967 CA GLU A 67 -1.412 -12.234 -1.462 1.00 15.00 C ATOM 968 C GLU A 67 -0.529 -13.349 -0.909 1.00 15.00 C ATOM 969 O GLU A 67 -0.077 -14.223 -1.649 1.00 15.00 O ATOM 970 CB GLU A 67 -2.401 -12.810 -2.478 1.00 15.00 C ATOM 971 CG GLU A 67 -3.744 -13.187 -1.875 1.00 15.00 C ATOM 972 CD GLU A 67 -4.509 -14.178 -2.730 1.00 15.00 C ATOM 973 OE1 GLU A 67 -3.918 -15.207 -3.120 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.700 -13.926 -3.009 1.00 15.00 O ATOM 0 H GLU A 67 -0.967 -10.853 -2.978 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.963 -11.791 -0.632 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.561 -12.080 -3.271 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -1.960 -13.692 -2.942 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.587 -13.613 -0.884 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.344 -12.287 -1.743 1.00 15.00 H new ATOM 981 N GLY A 68 -0.286 -13.309 0.397 1.00 15.00 N ATOM 982 CA GLY A 68 0.545 -14.316 1.029 1.00 15.00 C ATOM 983 C GLY A 68 1.894 -13.768 1.450 1.00 15.00 C ATOM 984 O GLY A 68 2.929 -14.180 0.928 1.00 15.00 O ATOM 0 H GLY A 68 -0.650 -12.596 1.029 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.029 -14.714 1.902 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.692 -15.147 0.339 1.00 15.00 H new ATOM 988 N ALA A 69 1.880 -12.832 2.393 1.00 15.00 N ATOM 989 CA ALA A 69 3.109 -12.222 2.881 1.00 15.00 C ATOM 990 C ALA A 69 2.836 -11.309 4.073 1.00 15.00 C ATOM 991 O ALA A 69 1.685 -11.007 4.387 1.00 15.00 O ATOM 992 CB ALA A 69 3.785 -11.446 1.762 1.00 15.00 C ATOM 0 H ALA A 69 1.030 -12.480 2.834 1.00 15.00 H new ATOM 0 HA ALA A 69 3.775 -13.017 3.215 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.703 -10.993 2.136 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.023 -12.123 0.942 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.115 -10.664 1.405 1.00 15.00 H new ATOM 998 N THR A 70 3.902 -10.879 4.738 1.00 15.00 N ATOM 999 CA THR A 70 3.779 -10.003 5.899 1.00 15.00 C ATOM 1000 C THR A 70 3.885 -8.534 5.498 1.00 15.00 C ATOM 1001 O THR A 70 3.899 -8.199 4.314 1.00 15.00 O ATOM 1002 CB THR A 70 4.857 -10.336 6.932 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.095 -9.748 6.570 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.087 -11.822 7.102 1.00 15.00 C ATOM 0 H THR A 70 4.862 -11.122 4.494 1.00 15.00 H new ATOM 0 HA THR A 70 2.795 -10.169 6.338 1.00 15.00 H new ATOM 0 HB THR A 70 4.487 -9.933 7.875 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.772 -9.970 7.243 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.864 -11.987 7.849 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.163 -12.298 7.429 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.401 -12.253 6.151 1.00 15.00 H new ATOM 1012 N HIS A 71 3.957 -7.666 6.501 1.00 15.00 N ATOM 1013 CA HIS A 71 4.059 -6.228 6.279 1.00 15.00 C ATOM 1014 C HIS A 71 5.380 -5.875 5.605 1.00 15.00 C ATOM 1015 O HIS A 71 5.403 -5.310 4.512 1.00 15.00 O ATOM 1016 CB HIS A 71 3.910 -5.490 7.620 1.00 15.00 C ATOM 1017 CG HIS A 71 4.930 -4.419 7.872 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.701 -4.372 9.015 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.301 -3.352 7.128 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.499 -3.322 8.963 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.277 -2.687 7.828 1.00 15.00 N ATOM 0 H HIS A 71 3.946 -7.936 7.484 1.00 15.00 H new ATOM 0 HA HIS A 71 3.257 -5.913 5.612 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.917 -5.042 7.663 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.965 -6.220 8.427 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.661 -5.044 9.781 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.903 -3.075 6.163 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.212 -3.032 9.720 1.00 15.00 H new ATOM 1030 N LYS A 72 6.476 -6.214 6.270 1.00 15.00 N ATOM 1031 CA LYS A 72 7.809 -5.938 5.743 1.00 15.00 C ATOM 1032 C LYS A 72 7.948 -6.476 4.329 1.00 15.00 C ATOM 1033 O LYS A 72 8.653 -5.900 3.504 1.00 15.00 O ATOM 1034 CB LYS A 72 8.872 -6.561 6.647 1.00 15.00 C ATOM 1035 CG LYS A 72 10.285 -6.107 6.323 1.00 15.00 C ATOM 1036 CD LYS A 72 11.320 -7.100 6.827 1.00 15.00 C ATOM 1037 CE LYS A 72 11.254 -7.258 8.338 1.00 15.00 C ATOM 1038 NZ LYS A 72 11.709 -8.607 8.776 1.00 15.00 N ATOM 0 H LYS A 72 6.470 -6.681 7.177 1.00 15.00 H new ATOM 0 HA LYS A 72 7.952 -4.858 5.718 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.647 -6.311 7.684 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.819 -7.646 6.562 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.391 -5.986 5.245 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.467 -5.131 6.773 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.158 -8.068 6.352 1.00 15.00 H new ATOM 0 HD3 LYS A 72 12.317 -6.766 6.539 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.873 -6.495 8.810 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.231 -7.092 8.676 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 11.649 -8.674 9.812 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 11.103 -9.334 8.346 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.694 -8.756 8.476 1.00 15.00 H new ATOM 1052 N GLN A 73 7.262 -7.575 4.048 1.00 15.00 N ATOM 1053 CA GLN A 73 7.311 -8.170 2.723 1.00 15.00 C ATOM 1054 C GLN A 73 6.825 -7.165 1.689 1.00 15.00 C ATOM 1055 O GLN A 73 7.498 -6.918 0.689 1.00 15.00 O ATOM 1056 CB GLN A 73 6.466 -9.440 2.674 1.00 15.00 C ATOM 1057 CG GLN A 73 7.023 -10.563 3.533 1.00 15.00 C ATOM 1058 CD GLN A 73 6.697 -11.938 2.982 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.934 -12.694 3.582 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.279 -12.269 1.835 1.00 15.00 N ATOM 0 H GLN A 73 6.669 -8.069 4.715 1.00 15.00 H new ATOM 0 HA GLN A 73 8.342 -8.440 2.495 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.453 -9.208 3.003 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.395 -9.782 1.641 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.105 -10.454 3.610 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.621 -10.476 4.543 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.905 -11.610 1.372 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.100 -13.182 1.417 1.00 15.00 H new ATOM 1069 N ALA A 74 5.668 -6.561 1.948 1.00 15.00 N ATOM 1070 CA ALA A 74 5.133 -5.558 1.044 1.00 15.00 C ATOM 1071 C ALA A 74 6.022 -4.328 1.064 1.00 15.00 C ATOM 1072 O ALA A 74 6.392 -3.803 0.016 1.00 15.00 O ATOM 1073 CB ALA A 74 3.715 -5.191 1.416 1.00 15.00 C ATOM 0 H ALA A 74 5.091 -6.749 2.768 1.00 15.00 H new ATOM 0 HA ALA A 74 5.115 -5.973 0.036 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.340 -4.438 0.722 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.084 -6.078 1.364 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.697 -4.791 2.430 1.00 15.00 H new ATOM 1079 N VAL A 75 6.386 -3.891 2.272 1.00 15.00 N ATOM 1080 CA VAL A 75 7.268 -2.741 2.443 1.00 15.00 C ATOM 1081 C VAL A 75 8.374 -2.809 1.406 1.00 15.00 C ATOM 1082 O VAL A 75 8.754 -1.807 0.804 1.00 15.00 O ATOM 1083 CB VAL A 75 7.868 -2.727 3.871 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.375 -2.956 3.863 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.532 -1.436 4.589 1.00 15.00 C ATOM 0 H VAL A 75 6.081 -4.319 3.146 1.00 15.00 H new ATOM 0 HA VAL A 75 6.697 -1.822 2.308 1.00 15.00 H new ATOM 0 HB VAL A 75 7.414 -3.556 4.413 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.751 -2.938 4.886 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.593 -3.925 3.413 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.859 -2.170 3.284 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.965 -1.452 5.589 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.939 -0.593 4.031 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.450 -1.333 4.664 1.00 15.00 H new ATOM 1095 N GLU A 76 8.859 -4.023 1.194 1.00 15.00 N ATOM 1096 CA GLU A 76 9.898 -4.269 0.217 1.00 15.00 C ATOM 1097 C GLU A 76 9.372 -4.030 -1.196 1.00 15.00 C ATOM 1098 O GLU A 76 10.017 -3.354 -1.992 1.00 15.00 O ATOM 1099 CB GLU A 76 10.425 -5.698 0.351 1.00 15.00 C ATOM 1100 CG GLU A 76 10.997 -6.009 1.726 1.00 15.00 C ATOM 1101 CD GLU A 76 10.920 -7.485 2.070 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.238 -8.231 1.337 1.00 15.00 O ATOM 1103 OE2 GLU A 76 11.543 -7.894 3.072 1.00 15.00 O ATOM 0 H GLU A 76 8.544 -4.856 1.692 1.00 15.00 H new ATOM 0 HA GLU A 76 10.717 -3.575 0.403 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.616 -6.396 0.137 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.197 -5.864 -0.401 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.037 -5.685 1.765 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.456 -5.436 2.479 1.00 15.00 H new ATOM 1110 N THR A 77 8.195 -4.582 -1.509 1.00 15.00 N ATOM 1111 CA THR A 77 7.610 -4.408 -2.838 1.00 15.00 C ATOM 1112 C THR A 77 7.271 -2.946 -3.113 1.00 15.00 C ATOM 1113 O THR A 77 7.680 -2.391 -4.134 1.00 15.00 O ATOM 1114 CB THR A 77 6.366 -5.276 -3.016 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.335 -4.877 -2.133 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.625 -6.749 -2.792 1.00 15.00 C ATOM 0 H THR A 77 7.637 -5.146 -0.868 1.00 15.00 H new ATOM 0 HA THR A 77 8.361 -4.728 -3.560 1.00 15.00 H new ATOM 0 HB THR A 77 6.066 -5.132 -4.054 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.729 -4.521 -1.309 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.699 -7.307 -2.934 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.373 -7.099 -3.503 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.990 -6.904 -1.777 1.00 15.00 H new ATOM 1124 N LEU A 78 6.524 -2.320 -2.202 1.00 15.00 N ATOM 1125 CA LEU A 78 6.144 -0.918 -2.370 1.00 15.00 C ATOM 1126 C LEU A 78 7.386 -0.074 -2.612 1.00 15.00 C ATOM 1127 O LEU A 78 7.435 0.738 -3.536 1.00 15.00 O ATOM 1128 CB LEU A 78 5.399 -0.396 -1.135 1.00 15.00 C ATOM 1129 CG LEU A 78 4.449 -1.391 -0.465 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.613 -0.694 0.599 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.551 -2.060 -1.497 1.00 15.00 C ATOM 0 H LEU A 78 6.174 -2.757 -1.349 1.00 15.00 H new ATOM 0 HA LEU A 78 5.477 -0.846 -3.229 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.135 -0.072 -0.399 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.828 0.486 -1.424 1.00 15.00 H new ATOM 0 HG LEU A 78 5.048 -2.164 0.016 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.943 -1.416 1.066 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.270 -0.267 1.356 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.026 0.101 0.138 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.884 -2.763 -0.998 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.960 -1.302 -2.011 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.165 -2.594 -2.222 1.00 15.00 H new ATOM 1143 N ARG A 79 8.391 -0.292 -1.779 1.00 15.00 N ATOM 1144 CA ARG A 79 9.651 0.421 -1.892 1.00 15.00 C ATOM 1145 C ARG A 79 10.394 -0.007 -3.156 1.00 15.00 C ATOM 1146 O ARG A 79 10.637 0.804 -4.050 1.00 15.00 O ATOM 1147 CB ARG A 79 10.506 0.153 -0.651 1.00 15.00 C ATOM 1148 CG ARG A 79 11.422 1.308 -0.279 1.00 15.00 C ATOM 1149 CD ARG A 79 11.970 1.151 1.131 1.00 15.00 C ATOM 1150 NE ARG A 79 11.241 1.969 2.097 1.00 15.00 N ATOM 1151 CZ ARG A 79 11.643 2.171 3.349 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.764 1.615 3.791 1.00 15.00 N ATOM 1153 NH2 ARG A 79 10.922 2.930 4.163 1.00 15.00 N ATOM 0 H ARG A 79 8.356 -0.963 -1.012 1.00 15.00 H new ATOM 0 HA ARG A 79 9.451 1.490 -1.961 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.850 -0.064 0.192 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.110 -0.738 -0.822 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.248 1.362 -0.988 1.00 15.00 H new ATOM 0 HG3 ARG A 79 10.875 2.247 -0.356 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.913 0.104 1.427 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.024 1.429 1.143 1.00 15.00 H new ATOM 0 HE ARG A 79 10.373 2.411 1.794 1.00 15.00 H new ATOM 0 HH11 ARG A 79 13.322 1.029 3.170 1.00 15.00 H new ATOM 0 HH12 ARG A 79 13.067 1.773 4.752 1.00 15.00 H new ATOM 0 HH21 ARG A 79 10.059 3.359 3.829 1.00 15.00 H new ATOM 0 HH22 ARG A 79 11.230 3.085 5.123 1.00 15.00 H new ATOM 1167 N ASN A 80 10.749 -1.288 -3.219 1.00 15.00 N ATOM 1168 CA ASN A 80 11.461 -1.845 -4.368 1.00 15.00 C ATOM 1169 C ASN A 80 10.600 -1.829 -5.631 1.00 15.00 C ATOM 1170 O ASN A 80 10.298 -2.881 -6.196 1.00 15.00 O ATOM 1171 CB ASN A 80 11.909 -3.280 -4.075 1.00 15.00 C ATOM 1172 CG ASN A 80 13.003 -3.345 -3.026 1.00 15.00 C ATOM 1173 OD1 ASN A 80 14.184 -3.464 -3.352 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.616 -3.270 -1.757 1.00 15.00 N ATOM 0 H ASN A 80 10.554 -1.965 -2.482 1.00 15.00 H new ATOM 0 HA ASN A 80 12.334 -1.216 -4.542 1.00 15.00 H new ATOM 0 HB2 ASN A 80 11.052 -3.863 -3.738 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.266 -3.741 -4.996 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.309 -3.311 -1.009 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.626 -3.172 -1.531 1.00 15.00 H new ATOM 1181 N THR A 81 10.215 -0.642 -6.080 1.00 15.00 N ATOM 1182 CA THR A 81 9.401 -0.518 -7.285 1.00 15.00 C ATOM 1183 C THR A 81 10.295 -0.435 -8.519 1.00 15.00 C ATOM 1184 O THR A 81 10.359 -1.371 -9.317 1.00 15.00 O ATOM 1185 CB THR A 81 8.495 0.713 -7.200 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.845 1.519 -6.090 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.026 0.369 -7.072 1.00 15.00 C ATOM 0 H THR A 81 10.450 0.244 -5.633 1.00 15.00 H new ATOM 0 HA THR A 81 8.770 -1.403 -7.368 1.00 15.00 H new ATOM 0 HB THR A 81 8.646 1.246 -8.139 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.366 1.206 -5.294 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.441 1.287 -7.017 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.711 -0.210 -7.940 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.867 -0.218 -6.167 1.00 15.00 H new ATOM 1195 N GLY A 82 10.991 0.688 -8.664 1.00 15.00 N ATOM 1196 CA GLY A 82 11.879 0.875 -9.790 1.00 15.00 C ATOM 1197 C GLY A 82 11.526 2.094 -10.616 1.00 15.00 C ATOM 1198 O GLY A 82 11.744 3.229 -10.194 1.00 15.00 O ATOM 0 H GLY A 82 10.953 1.475 -8.016 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.903 0.970 -9.428 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.846 -0.011 -10.424 1.00 15.00 H new ATOM 1202 N GLN A 83 10.987 1.849 -11.799 1.00 15.00 N ATOM 1203 CA GLN A 83 10.603 2.925 -12.711 1.00 15.00 C ATOM 1204 C GLN A 83 9.471 3.776 -12.135 1.00 15.00 C ATOM 1205 O GLN A 83 9.711 4.836 -11.559 1.00 15.00 O ATOM 1206 CB GLN A 83 10.200 2.363 -14.083 1.00 15.00 C ATOM 1207 CG GLN A 83 9.530 0.997 -14.030 1.00 15.00 C ATOM 1208 CD GLN A 83 8.365 0.883 -14.995 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.664 1.860 -15.258 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.153 -0.315 -15.528 1.00 15.00 N ATOM 0 H GLN A 83 10.803 0.911 -12.156 1.00 15.00 H new ATOM 0 HA GLN A 83 11.475 3.567 -12.838 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.523 3.068 -14.566 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.089 2.294 -14.709 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.265 0.226 -14.261 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.177 0.808 -13.016 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.759 -1.097 -15.282 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.384 -0.453 -16.184 1.00 15.00 H new ATOM 1219 N VAL A 84 8.237 3.307 -12.301 1.00 15.00 N ATOM 1220 CA VAL A 84 7.065 4.015 -11.803 1.00 15.00 C ATOM 1221 C VAL A 84 6.440 3.256 -10.636 1.00 15.00 C ATOM 1222 O VAL A 84 6.676 2.060 -10.462 1.00 15.00 O ATOM 1223 CB VAL A 84 6.018 4.209 -12.924 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.708 4.752 -12.371 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.565 5.136 -13.998 1.00 15.00 C ATOM 0 H VAL A 84 8.024 2.432 -12.781 1.00 15.00 H new ATOM 0 HA VAL A 84 7.388 4.997 -11.457 1.00 15.00 H new ATOM 0 HB VAL A 84 5.814 3.234 -13.367 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.994 4.877 -13.185 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.305 4.053 -11.638 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.886 5.716 -11.894 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.819 5.265 -14.782 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.799 6.105 -13.557 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.470 4.704 -14.426 1.00 15.00 H new ATOM 1235 N VAL A 85 5.636 3.949 -9.843 1.00 15.00 N ATOM 1236 CA VAL A 85 4.982 3.331 -8.703 1.00 15.00 C ATOM 1237 C VAL A 85 3.550 2.934 -9.058 1.00 15.00 C ATOM 1238 O VAL A 85 2.595 3.642 -8.737 1.00 15.00 O ATOM 1239 CB VAL A 85 4.990 4.284 -7.485 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.974 3.866 -6.434 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.385 4.357 -6.883 1.00 15.00 C ATOM 0 H VAL A 85 5.422 4.938 -9.969 1.00 15.00 H new ATOM 0 HA VAL A 85 5.537 2.431 -8.438 1.00 15.00 H new ATOM 0 HB VAL A 85 4.704 5.275 -7.837 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.011 4.561 -5.595 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.975 3.876 -6.869 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.206 2.861 -6.083 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.377 5.031 -6.027 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.694 3.363 -6.560 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.085 4.729 -7.631 1.00 15.00 H new ATOM 1251 N HIS A 86 3.415 1.788 -9.725 1.00 15.00 N ATOM 1252 CA HIS A 86 2.107 1.282 -10.127 1.00 15.00 C ATOM 1253 C HIS A 86 1.643 0.197 -9.164 1.00 15.00 C ATOM 1254 O HIS A 86 1.806 -0.995 -9.425 1.00 15.00 O ATOM 1255 CB HIS A 86 2.165 0.727 -11.550 1.00 15.00 C ATOM 1256 CG HIS A 86 0.817 0.437 -12.133 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.305 1.184 -11.842 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.413 -0.526 -12.995 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.340 0.692 -12.498 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.932 -0.345 -13.205 1.00 15.00 N ATOM 0 H HIS A 86 4.198 1.193 -9.998 1.00 15.00 H new ATOM 0 HA HIS A 86 1.394 2.106 -10.101 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.683 1.442 -12.190 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.757 -0.188 -11.551 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.033 -1.293 -13.435 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.350 1.074 -12.462 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.520 -0.919 -13.809 1.00 15.00 H new ATOM 1269 N LEU A 87 1.083 0.624 -8.041 1.00 15.00 N ATOM 1270 CA LEU A 87 0.613 -0.298 -7.019 1.00 15.00 C ATOM 1271 C LEU A 87 -0.903 -0.469 -7.060 1.00 15.00 C ATOM 1272 O LEU A 87 -1.649 0.504 -6.992 1.00 15.00 O ATOM 1273 CB LEU A 87 1.038 0.210 -5.642 1.00 15.00 C ATOM 1274 CG LEU A 87 1.965 -0.722 -4.872 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.151 0.044 -4.303 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.200 -1.430 -3.766 1.00 15.00 C ATOM 0 H LEU A 87 0.943 1.609 -7.815 1.00 15.00 H new ATOM 0 HA LEU A 87 1.060 -1.273 -7.215 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.534 1.173 -5.763 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.144 0.385 -5.044 1.00 15.00 H new ATOM 0 HG LEU A 87 2.350 -1.473 -5.562 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.799 -0.642 -3.757 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.712 0.503 -5.117 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.792 0.820 -3.627 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.874 -2.093 -3.224 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.787 -0.691 -3.079 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.389 -2.014 -4.201 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.350 -1.717 -7.149 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.777 -2.021 -7.171 1.00 15.00 C ATOM 1290 C LEU A 88 -3.215 -2.526 -5.800 1.00 15.00 C ATOM 1291 O LEU A 88 -2.940 -3.668 -5.433 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.089 -3.069 -8.244 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.366 -2.880 -9.584 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.342 -1.413 -9.989 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -0.952 -3.440 -9.515 1.00 15.00 C ATOM 0 H LEU A 88 -0.744 -2.536 -7.207 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.326 -1.111 -7.412 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.835 -4.053 -7.850 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.163 -3.067 -8.428 1.00 15.00 H new ATOM 0 HG LEU A 88 -2.918 -3.431 -10.345 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.824 -1.307 -10.942 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -3.364 -1.046 -10.089 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.821 -0.834 -9.227 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -0.456 -3.296 -10.475 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -0.393 -2.921 -8.737 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -0.993 -4.504 -9.284 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.879 -1.664 -5.040 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.332 -2.020 -3.699 1.00 15.00 C ATOM 1309 C LEU A 89 -5.836 -2.258 -3.655 1.00 15.00 C ATOM 1310 O LEU A 89 -6.489 -2.421 -4.685 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.975 -0.921 -2.695 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.933 0.083 -3.165 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.024 1.354 -2.343 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.547 -0.522 -3.075 1.00 15.00 C ATOM 0 H LEU A 89 -4.116 -0.715 -5.328 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.822 -2.945 -3.430 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.885 -0.380 -2.437 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.614 -1.392 -1.781 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.128 0.336 -4.207 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.274 2.065 -2.688 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.016 1.790 -2.456 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.847 1.122 -1.293 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.810 0.206 -3.414 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.337 -0.797 -2.042 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.496 -1.410 -3.705 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.371 -2.253 -2.439 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.795 -2.443 -2.217 1.00 15.00 C ATOM 1328 C GLU A 90 -8.283 -1.469 -1.147 1.00 15.00 C ATOM 1329 O GLU A 90 -7.642 -1.301 -0.109 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.084 -3.897 -1.817 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.226 -4.060 -0.824 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.552 -5.514 -0.545 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.626 -6.271 -0.183 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.732 -5.897 -0.688 1.00 15.00 O ATOM 0 H GLU A 90 -5.830 -2.118 -1.585 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.335 -2.239 -3.142 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.315 -4.469 -2.715 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.180 -4.329 -1.387 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.964 -3.564 0.111 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.114 -3.560 -1.211 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.411 -0.820 -1.412 1.00 15.00 N ATOM 1342 CA LYS A 91 -9.977 0.149 -0.478 1.00 15.00 C ATOM 1343 C LYS A 91 -9.994 -0.396 0.949 1.00 15.00 C ATOM 1344 O LYS A 91 -10.894 -1.145 1.329 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.393 0.535 -0.915 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.565 2.020 -1.205 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.036 2.888 -0.071 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.672 2.523 1.261 1.00 15.00 C ATOM 1349 NZ LYS A 91 -13.079 3.000 1.354 1.00 15.00 N ATOM 0 H LYS A 91 -9.953 -0.947 -2.267 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.344 1.036 -0.488 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.655 -0.032 -1.808 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.096 0.243 -0.135 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -11.043 2.272 -2.128 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.621 2.238 -1.366 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -9.954 2.775 -0.001 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.233 3.937 -0.293 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.646 1.441 1.391 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -11.088 2.956 2.073 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -13.476 2.731 2.277 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -13.102 4.035 1.255 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -13.643 2.567 0.595 1.00 15.00 H new ATOM 1363 N GLY A 92 -8.990 -0.011 1.733 1.00 15.00 N ATOM 1364 CA GLY A 92 -8.901 -0.465 3.109 1.00 15.00 C ATOM 1365 C GLY A 92 -10.022 0.076 3.974 1.00 15.00 C ATOM 1366 O GLY A 92 -11.047 0.527 3.463 1.00 15.00 O ATOM 0 H GLY A 92 -8.235 0.609 1.438 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.924 -1.555 3.131 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -7.943 -0.158 3.528 1.00 15.00 H new