USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 5 THR OG1 : rot 33:sc= 0.991 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -3 (180deg=-3.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.0464 (180deg=-0.315) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.773 USER MOD Single : A 44 SER OG : rot -44:sc= -0.328 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -4.11 K(o=-4.1,f=-6.5!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.204 USER MOD Single : A 51 ASN : amide:sc= -1.04 K(o=-1,f=-4.3!) USER MOD Single : A 52 HIS : no HE2:sc= -2.96! C(o=-3!,f=-4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -174:sc= -1.03 USER MOD Single : A 60 ASN : amide:sc= -0.215 K(o=-0.21,f=-3!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.253 USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= -0.035 (180deg=-0.412) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 78 HIS : no HE2:sc= -0.0364 K(o=-0.036,f=-2.2) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HE2:sc= -2.88 K(o=-2.9,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -12.860 17.439 -5.168 1.00 0.00 N ATOM 23 CA PHE A 2 -12.841 16.057 -5.633 1.00 0.00 C ATOM 24 C PHE A 2 -11.498 15.400 -5.333 1.00 0.00 C ATOM 25 O PHE A 2 -10.490 15.708 -5.968 1.00 0.00 O ATOM 26 CB PHE A 2 -13.127 15.997 -7.134 1.00 0.00 C ATOM 27 CG PHE A 2 -12.182 16.823 -7.960 1.00 0.00 C ATOM 28 CD1 PHE A 2 -12.349 18.195 -8.063 1.00 0.00 C ATOM 29 CD2 PHE A 2 -11.126 16.228 -8.631 1.00 0.00 C ATOM 30 CE1 PHE A 2 -11.482 18.957 -8.822 1.00 0.00 C ATOM 31 CE2 PHE A 2 -10.255 16.985 -9.392 1.00 0.00 C ATOM 32 CZ PHE A 2 -10.434 18.352 -9.487 1.00 0.00 C ATOM 0 HA PHE A 2 -13.619 15.511 -5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -13.073 14.960 -7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -14.147 16.337 -7.315 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -13.166 18.674 -7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.982 15.160 -8.559 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.624 20.025 -8.895 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.436 16.509 -9.911 1.00 0.00 H new ATOM 0 HZ PHE A 2 -9.755 18.946 -10.081 1.00 0.00 H new ATOM 42 N ILE A 3 -11.495 14.492 -4.363 1.00 0.00 N ATOM 43 CA ILE A 3 -10.277 13.790 -3.979 1.00 0.00 C ATOM 44 C ILE A 3 -9.695 13.019 -5.162 1.00 0.00 C ATOM 45 O ILE A 3 -10.328 12.106 -5.694 1.00 0.00 O ATOM 46 CB ILE A 3 -10.538 12.824 -2.800 1.00 0.00 C ATOM 47 CG1 ILE A 3 -9.215 12.327 -2.204 1.00 0.00 C ATOM 48 CG2 ILE A 3 -11.412 11.655 -3.237 1.00 0.00 C ATOM 49 CD1 ILE A 3 -8.444 11.388 -3.106 1.00 0.00 C ATOM 0 H ILE A 3 -12.322 14.225 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.554 14.541 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.075 13.371 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.587 13.188 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.421 11.820 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.581 10.990 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.369 12.031 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.913 11.106 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.522 11.083 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.050 10.507 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.203 11.896 -4.040 1.00 0.00 H new ATOM 61 N ALA A 4 -8.488 13.394 -5.571 1.00 0.00 N ATOM 62 CA ALA A 4 -7.822 12.741 -6.692 1.00 0.00 C ATOM 63 C ALA A 4 -7.218 11.405 -6.271 1.00 0.00 C ATOM 64 O ALA A 4 -6.416 11.341 -5.340 1.00 0.00 O ATOM 65 CB ALA A 4 -6.749 13.653 -7.268 1.00 0.00 C ATOM 0 H ALA A 4 -7.950 14.148 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.567 12.543 -7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.259 13.155 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.207 14.579 -7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.012 13.879 -6.498 1.00 0.00 H new ATOM 71 N THR A 5 -7.609 10.340 -6.964 1.00 0.00 N ATOM 72 CA THR A 5 -7.104 9.004 -6.662 1.00 0.00 C ATOM 73 C THR A 5 -5.824 8.714 -7.438 1.00 0.00 C ATOM 74 O THR A 5 -5.857 8.495 -8.650 1.00 0.00 O ATOM 75 CB THR A 5 -8.162 7.950 -6.992 1.00 0.00 C ATOM 76 OG1 THR A 5 -8.436 7.932 -8.382 1.00 0.00 O ATOM 77 CG2 THR A 5 -9.473 8.169 -6.269 1.00 0.00 C ATOM 0 H THR A 5 -8.273 10.375 -7.738 1.00 0.00 H new ATOM 0 HA THR A 5 -6.877 8.963 -5.597 1.00 0.00 H new ATOM 0 HB THR A 5 -7.737 7.003 -6.660 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.622 8.157 -8.879 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.178 7.386 -6.549 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.304 8.138 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.882 9.141 -6.544 1.00 0.00 H new ATOM 85 N LEU A 6 -4.697 8.712 -6.733 1.00 0.00 N ATOM 86 CA LEU A 6 -3.407 8.444 -7.358 1.00 0.00 C ATOM 87 C LEU A 6 -3.032 6.973 -7.208 1.00 0.00 C ATOM 88 O LEU A 6 -2.857 6.478 -6.095 1.00 0.00 O ATOM 89 CB LEU A 6 -2.321 9.326 -6.737 1.00 0.00 C ATOM 90 CG LEU A 6 -2.523 10.831 -6.927 1.00 0.00 C ATOM 91 CD1 LEU A 6 -2.697 11.164 -8.402 1.00 0.00 C ATOM 92 CD2 LEU A 6 -3.723 11.312 -6.125 1.00 0.00 C ATOM 0 H LEU A 6 -4.651 8.893 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.488 8.677 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.268 9.114 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.358 9.047 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.635 11.347 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.839 12.238 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.809 10.854 -8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.568 10.638 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.852 12.384 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.618 10.789 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.559 11.107 -5.067 1.00 0.00 H new ATOM 104 N LYS A 7 -2.916 6.278 -8.335 1.00 0.00 N ATOM 105 CA LYS A 7 -2.569 4.860 -8.324 1.00 0.00 C ATOM 106 C LYS A 7 -1.193 4.625 -8.939 1.00 0.00 C ATOM 107 O LYS A 7 -1.067 4.416 -10.145 1.00 0.00 O ATOM 108 CB LYS A 7 -3.624 4.042 -9.078 1.00 0.00 C ATOM 109 CG LYS A 7 -4.333 4.810 -10.185 1.00 0.00 C ATOM 110 CD LYS A 7 -3.400 5.105 -11.348 1.00 0.00 C ATOM 111 CE LYS A 7 -4.170 5.528 -12.589 1.00 0.00 C ATOM 112 NZ LYS A 7 -3.495 5.085 -13.839 1.00 0.00 N ATOM 0 H LYS A 7 -3.057 6.672 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.542 4.533 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.146 3.163 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.367 3.684 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.187 4.232 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.725 5.746 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.703 5.894 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.805 4.219 -11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.176 5.110 -12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.276 6.613 -12.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.051 5.393 -14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.544 5.504 -13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.417 4.048 -13.843 1.00 0.00 H new ATOM 126 N GLY A 8 -0.162 4.650 -8.099 1.00 0.00 N ATOM 127 CA GLY A 8 1.189 4.428 -8.579 1.00 0.00 C ATOM 128 C GLY A 8 1.461 2.963 -8.855 1.00 0.00 C ATOM 129 O GLY A 8 0.628 2.107 -8.564 1.00 0.00 O ATOM 0 H GLY A 8 -0.239 4.820 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.349 5.004 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.901 4.796 -7.840 1.00 0.00 H new ATOM 133 N ILE A 9 2.629 2.670 -9.420 1.00 0.00 N ATOM 134 CA ILE A 9 2.995 1.294 -9.731 1.00 0.00 C ATOM 135 C ILE A 9 4.504 1.141 -9.898 1.00 0.00 C ATOM 136 O ILE A 9 5.153 1.949 -10.562 1.00 0.00 O ATOM 137 CB ILE A 9 2.292 0.803 -11.014 1.00 0.00 C ATOM 138 CG1 ILE A 9 2.583 -0.681 -11.247 1.00 0.00 C ATOM 139 CG2 ILE A 9 2.732 1.630 -12.213 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.553 -1.370 -12.115 1.00 0.00 C ATOM 0 H ILE A 9 3.334 3.364 -9.670 1.00 0.00 H new ATOM 0 HA ILE A 9 2.668 0.685 -8.888 1.00 0.00 H new ATOM 0 HB ILE A 9 1.216 0.927 -10.889 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.564 -0.782 -11.712 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.633 -1.189 -10.284 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.226 1.270 -13.109 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.475 2.676 -12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.810 1.537 -12.343 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.823 -2.419 -12.238 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.573 -1.301 -11.642 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.519 -0.888 -13.092 1.00 0.00 H new ATOM 152 N PHE A 10 5.052 0.090 -9.295 1.00 0.00 N ATOM 153 CA PHE A 10 6.483 -0.184 -9.379 1.00 0.00 C ATOM 154 C PHE A 10 6.726 -1.523 -10.068 1.00 0.00 C ATOM 155 O PHE A 10 7.006 -2.528 -9.414 1.00 0.00 O ATOM 156 CB PHE A 10 7.107 -0.192 -7.981 1.00 0.00 C ATOM 157 CG PHE A 10 7.751 1.112 -7.601 1.00 0.00 C ATOM 158 CD1 PHE A 10 7.007 2.280 -7.556 1.00 0.00 C ATOM 159 CD2 PHE A 10 9.099 1.168 -7.289 1.00 0.00 C ATOM 160 CE1 PHE A 10 7.597 3.479 -7.207 1.00 0.00 C ATOM 161 CE2 PHE A 10 9.695 2.364 -6.939 1.00 0.00 C ATOM 162 CZ PHE A 10 8.942 3.522 -6.898 1.00 0.00 C ATOM 0 H PHE A 10 4.526 -0.587 -8.742 1.00 0.00 H new ATOM 0 HA PHE A 10 6.952 0.604 -9.968 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.336 -0.433 -7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.854 -0.985 -7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.954 2.253 -7.796 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.692 0.266 -7.320 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.006 4.383 -7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.747 2.394 -6.698 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.405 4.459 -6.625 1.00 0.00 H new ATOM 172 N THR A 11 6.611 -1.530 -11.392 1.00 0.00 N ATOM 173 CA THR A 11 6.811 -2.747 -12.170 1.00 0.00 C ATOM 174 C THR A 11 8.282 -3.034 -12.368 1.00 0.00 C ATOM 175 O THR A 11 9.069 -2.145 -12.687 1.00 0.00 O ATOM 176 CB THR A 11 6.105 -2.644 -13.522 1.00 0.00 C ATOM 177 OG1 THR A 11 6.565 -1.515 -14.242 1.00 0.00 O ATOM 178 CG2 THR A 11 4.600 -2.533 -13.405 1.00 0.00 C ATOM 0 H THR A 11 6.380 -0.707 -11.948 1.00 0.00 H new ATOM 0 HA THR A 11 6.376 -3.575 -11.610 1.00 0.00 H new ATOM 0 HB THR A 11 6.344 -3.570 -14.044 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.103 -1.467 -15.105 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.162 -2.463 -14.401 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.209 -3.414 -12.897 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.344 -1.641 -12.833 1.00 0.00 H new ATOM 186 N LEU A 12 8.638 -4.296 -12.164 1.00 0.00 N ATOM 187 CA LEU A 12 10.009 -4.747 -12.301 1.00 0.00 C ATOM 188 C LEU A 12 10.973 -3.801 -11.593 1.00 0.00 C ATOM 189 O LEU A 12 10.563 -2.867 -10.903 1.00 0.00 O ATOM 190 CB LEU A 12 10.387 -4.909 -13.779 1.00 0.00 C ATOM 191 CG LEU A 12 10.411 -3.623 -14.608 1.00 0.00 C ATOM 192 CD1 LEU A 12 11.443 -3.734 -15.720 1.00 0.00 C ATOM 193 CD2 LEU A 12 9.034 -3.332 -15.190 1.00 0.00 C ATOM 0 H LEU A 12 7.983 -5.031 -11.899 1.00 0.00 H new ATOM 0 HA LEU A 12 10.088 -5.723 -11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.372 -5.372 -13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.684 -5.602 -14.240 1.00 0.00 H new ATOM 0 HG LEU A 12 10.687 -2.796 -13.954 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.450 -2.813 -16.303 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.429 -3.897 -15.286 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.190 -4.572 -16.369 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.073 -2.414 -15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.728 -4.159 -15.831 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.314 -3.215 -14.380 1.00 0.00 H new ATOM 205 N LYS A 13 12.250 -4.071 -11.756 1.00 0.00 N ATOM 206 CA LYS A 13 13.297 -3.271 -11.127 1.00 0.00 C ATOM 207 C LYS A 13 13.722 -2.100 -12.007 1.00 0.00 C ATOM 208 O LYS A 13 14.499 -1.247 -11.577 1.00 0.00 O ATOM 209 CB LYS A 13 14.506 -4.148 -10.807 1.00 0.00 C ATOM 210 CG LYS A 13 14.194 -5.273 -9.835 1.00 0.00 C ATOM 211 CD LYS A 13 15.448 -6.029 -9.438 1.00 0.00 C ATOM 212 CE LYS A 13 15.710 -7.204 -10.369 1.00 0.00 C ATOM 213 NZ LYS A 13 15.528 -6.834 -11.799 1.00 0.00 N ATOM 0 H LYS A 13 12.598 -4.844 -12.323 1.00 0.00 H new ATOM 0 HA LYS A 13 12.888 -2.861 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.892 -4.574 -11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.297 -3.525 -10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.717 -4.864 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.482 -5.961 -10.290 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.303 -5.353 -9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.348 -6.390 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.726 -7.569 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.036 -8.023 -10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.781 -7.643 -12.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.535 -6.575 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.140 -6.025 -12.029 1.00 0.00 H new ATOM 227 N ASP A 14 13.215 -2.055 -13.235 1.00 0.00 N ATOM 228 CA ASP A 14 13.554 -0.973 -14.151 1.00 0.00 C ATOM 229 C ASP A 14 12.600 0.205 -13.976 1.00 0.00 C ATOM 230 O ASP A 14 12.912 1.328 -14.376 1.00 0.00 O ATOM 231 CB ASP A 14 13.522 -1.466 -15.599 1.00 0.00 C ATOM 232 CG ASP A 14 14.320 -0.573 -16.532 1.00 0.00 C ATOM 233 OD1 ASP A 14 15.562 -0.704 -16.559 1.00 0.00 O ATOM 234 OD2 ASP A 14 13.703 0.255 -17.234 1.00 0.00 O ATOM 0 H ASP A 14 12.573 -2.750 -13.616 1.00 0.00 H new ATOM 0 HA ASP A 14 14.564 -0.637 -13.917 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.919 -2.480 -15.644 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.488 -1.513 -15.941 1.00 0.00 H new ATOM 239 N LEU A 15 11.434 -0.055 -13.379 1.00 0.00 N ATOM 240 CA LEU A 15 10.436 0.989 -13.147 1.00 0.00 C ATOM 241 C LEU A 15 10.404 1.492 -11.689 1.00 0.00 C ATOM 242 O LEU A 15 9.322 1.715 -11.148 1.00 0.00 O ATOM 243 CB LEU A 15 9.049 0.474 -13.541 1.00 0.00 C ATOM 244 CG LEU A 15 8.140 1.506 -14.211 1.00 0.00 C ATOM 245 CD1 LEU A 15 7.751 2.595 -13.224 1.00 0.00 C ATOM 246 CD2 LEU A 15 8.824 2.105 -15.430 1.00 0.00 C ATOM 0 H LEU A 15 11.159 -0.980 -13.048 1.00 0.00 H new ATOM 0 HA LEU A 15 10.723 1.838 -13.768 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.171 -0.373 -14.217 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.550 0.099 -12.647 1.00 0.00 H new ATOM 0 HG LEU A 15 7.231 1.003 -14.541 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.104 3.320 -13.718 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.220 2.150 -12.382 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.649 3.096 -12.863 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.164 2.837 -15.895 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.749 2.593 -15.125 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.050 1.314 -16.146 1.00 0.00 H new ATOM 258 N PRO A 16 11.562 1.680 -11.015 1.00 0.00 N ATOM 259 CA PRO A 16 11.582 2.155 -9.626 1.00 0.00 C ATOM 260 C PRO A 16 11.387 3.663 -9.518 1.00 0.00 C ATOM 261 O PRO A 16 12.201 4.365 -8.918 1.00 0.00 O ATOM 262 CB PRO A 16 12.976 1.771 -9.155 1.00 0.00 C ATOM 263 CG PRO A 16 13.813 1.868 -10.381 1.00 0.00 C ATOM 264 CD PRO A 16 12.926 1.450 -11.524 1.00 0.00 C ATOM 0 HA PRO A 16 10.773 1.724 -9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.332 2.444 -8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.993 0.763 -8.740 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.180 2.884 -10.523 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.687 1.221 -10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.123 2.040 -12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.082 0.405 -11.790 1.00 0.00 H new ATOM 272 N GLU A 17 10.300 4.149 -10.101 1.00 0.00 N ATOM 273 CA GLU A 17 9.983 5.574 -10.079 1.00 0.00 C ATOM 274 C GLU A 17 11.126 6.397 -10.672 1.00 0.00 C ATOM 275 O GLU A 17 11.103 6.746 -11.853 1.00 0.00 O ATOM 276 CB GLU A 17 9.678 6.028 -8.648 1.00 0.00 C ATOM 277 CG GLU A 17 9.504 7.533 -8.505 1.00 0.00 C ATOM 278 CD GLU A 17 9.329 7.966 -7.062 1.00 0.00 C ATOM 279 OE1 GLU A 17 8.509 7.346 -6.353 1.00 0.00 O ATOM 280 OE2 GLU A 17 10.013 8.924 -6.643 1.00 0.00 O ATOM 0 H GLU A 17 9.618 3.576 -10.598 1.00 0.00 H new ATOM 0 HA GLU A 17 9.097 5.737 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.770 5.532 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.486 5.701 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.372 8.037 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.637 7.851 -9.084 1.00 0.00 H new ATOM 287 N GLU A 18 12.124 6.707 -9.849 1.00 0.00 N ATOM 288 CA GLU A 18 13.269 7.490 -10.302 1.00 0.00 C ATOM 289 C GLU A 18 14.583 6.930 -9.765 1.00 0.00 C ATOM 290 O GLU A 18 15.626 7.047 -10.409 1.00 0.00 O ATOM 291 CB GLU A 18 13.112 8.952 -9.882 1.00 0.00 C ATOM 292 CG GLU A 18 13.477 9.942 -10.977 1.00 0.00 C ATOM 293 CD GLU A 18 14.764 10.689 -10.684 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.718 11.670 -9.912 1.00 0.00 O ATOM 295 OE2 GLU A 18 15.817 10.292 -11.225 1.00 0.00 O ATOM 0 H GLU A 18 12.163 6.429 -8.868 1.00 0.00 H new ATOM 0 HA GLU A 18 13.299 7.429 -11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.080 9.125 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.738 9.140 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.577 9.410 -11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.665 10.659 -11.099 1.00 0.00 H new ATOM 302 N PHE A 19 14.527 6.330 -8.588 1.00 0.00 N ATOM 303 CA PHE A 19 15.717 5.756 -7.966 1.00 0.00 C ATOM 304 C PHE A 19 15.353 4.916 -6.739 1.00 0.00 C ATOM 305 O PHE A 19 15.080 3.722 -6.859 1.00 0.00 O ATOM 306 CB PHE A 19 16.721 6.859 -7.590 1.00 0.00 C ATOM 307 CG PHE A 19 16.120 8.238 -7.470 1.00 0.00 C ATOM 308 CD1 PHE A 19 14.906 8.435 -6.825 1.00 0.00 C ATOM 309 CD2 PHE A 19 16.775 9.338 -8.000 1.00 0.00 C ATOM 310 CE1 PHE A 19 14.361 9.700 -6.714 1.00 0.00 C ATOM 311 CE2 PHE A 19 16.235 10.605 -7.890 1.00 0.00 C ATOM 312 CZ PHE A 19 15.027 10.786 -7.246 1.00 0.00 C ATOM 0 H PHE A 19 13.672 6.226 -8.041 1.00 0.00 H new ATOM 0 HA PHE A 19 16.187 5.096 -8.695 1.00 0.00 H new ATOM 0 HB2 PHE A 19 17.191 6.597 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 19 17.511 6.885 -8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.382 7.589 -6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 19 17.720 9.203 -8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.415 9.839 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 19 16.757 11.453 -8.307 1.00 0.00 H new ATOM 0 HZ PHE A 19 14.604 11.776 -7.159 1.00 0.00 H new ATOM 322 N ARG A 20 15.358 5.540 -5.558 1.00 0.00 N ATOM 323 CA ARG A 20 15.034 4.846 -4.312 1.00 0.00 C ATOM 324 C ARG A 20 13.810 3.942 -4.470 1.00 0.00 C ATOM 325 O ARG A 20 12.677 4.422 -4.503 1.00 0.00 O ATOM 326 CB ARG A 20 14.781 5.863 -3.196 1.00 0.00 C ATOM 327 CG ARG A 20 15.998 6.708 -2.854 1.00 0.00 C ATOM 328 CD ARG A 20 16.997 5.935 -2.006 1.00 0.00 C ATOM 329 NE ARG A 20 17.192 6.549 -0.694 1.00 0.00 N ATOM 330 CZ ARG A 20 17.760 5.930 0.338 1.00 0.00 C ATOM 331 NH1 ARG A 20 18.188 4.680 0.217 1.00 0.00 N ATOM 332 NH2 ARG A 20 17.900 6.562 1.495 1.00 0.00 N ATOM 0 H ARG A 20 15.584 6.528 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 20 15.886 4.218 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.965 6.521 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.454 5.334 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.481 7.040 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.681 7.603 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.648 4.910 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.953 5.884 -2.528 1.00 0.00 H new ATOM 0 HE ARG A 20 16.874 7.509 -0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.082 4.188 -0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.623 4.211 1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.572 7.523 1.594 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.335 6.087 2.286 1.00 0.00 H new ATOM 346 N PRO A 21 14.023 2.617 -4.566 1.00 0.00 N ATOM 347 CA PRO A 21 12.934 1.653 -4.716 1.00 0.00 C ATOM 348 C PRO A 21 12.284 1.305 -3.381 1.00 0.00 C ATOM 349 O PRO A 21 12.962 0.895 -2.439 1.00 0.00 O ATOM 350 CB PRO A 21 13.645 0.435 -5.298 1.00 0.00 C ATOM 351 CG PRO A 21 15.010 0.488 -4.702 1.00 0.00 C ATOM 352 CD PRO A 21 15.342 1.951 -4.535 1.00 0.00 C ATOM 0 HA PRO A 21 12.121 2.034 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.131 -0.489 -5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.684 0.479 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.036 -0.029 -3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.736 -0.004 -5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.863 2.138 -3.596 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.990 2.308 -5.336 1.00 0.00 H new ATOM 360 N PHE A 22 10.969 1.470 -3.306 1.00 0.00 N ATOM 361 CA PHE A 22 10.230 1.173 -2.084 1.00 0.00 C ATOM 362 C PHE A 22 9.716 -0.265 -2.083 1.00 0.00 C ATOM 363 O PHE A 22 9.277 -0.772 -1.052 1.00 0.00 O ATOM 364 CB PHE A 22 9.059 2.143 -1.922 1.00 0.00 C ATOM 365 CG PHE A 22 8.801 2.538 -0.496 1.00 0.00 C ATOM 366 CD1 PHE A 22 9.842 2.934 0.327 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.515 2.514 0.022 1.00 0.00 C ATOM 368 CE1 PHE A 22 9.608 3.299 1.639 1.00 0.00 C ATOM 369 CE2 PHE A 22 7.274 2.878 1.333 1.00 0.00 C ATOM 370 CZ PHE A 22 8.322 3.270 2.143 1.00 0.00 C ATOM 0 H PHE A 22 10.392 1.808 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 22 10.914 1.292 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.257 3.040 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.159 1.685 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.849 2.958 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.692 2.207 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.429 3.606 2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.267 2.856 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.136 3.553 3.169 1.00 0.00 H new ATOM 380 N VAL A 23 9.767 -0.918 -3.242 1.00 0.00 N ATOM 381 CA VAL A 23 9.302 -2.294 -3.365 1.00 0.00 C ATOM 382 C VAL A 23 10.463 -3.288 -3.342 1.00 0.00 C ATOM 383 O VAL A 23 10.255 -4.491 -3.190 1.00 0.00 O ATOM 384 CB VAL A 23 8.492 -2.499 -4.659 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.220 -1.668 -4.630 1.00 0.00 C ATOM 386 CG2 VAL A 23 9.336 -2.155 -5.878 1.00 0.00 C ATOM 0 H VAL A 23 10.126 -0.515 -4.108 1.00 0.00 H new ATOM 0 HA VAL A 23 8.660 -2.481 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 23 8.210 -3.550 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.661 -1.826 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.608 -1.968 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.477 -0.613 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.747 -2.306 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.651 -1.113 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 23 10.215 -2.799 -5.906 1.00 0.00 H new ATOM 396 N ASP A 24 11.685 -2.782 -3.499 1.00 0.00 N ATOM 397 CA ASP A 24 12.874 -3.633 -3.501 1.00 0.00 C ATOM 398 C ASP A 24 12.885 -4.573 -2.298 1.00 0.00 C ATOM 399 O ASP A 24 13.328 -5.717 -2.399 1.00 0.00 O ATOM 400 CB ASP A 24 14.141 -2.775 -3.507 1.00 0.00 C ATOM 401 CG ASP A 24 15.154 -3.250 -4.531 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.788 -4.301 -4.296 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.314 -2.570 -5.567 1.00 0.00 O ATOM 0 H ASP A 24 11.878 -1.789 -3.626 1.00 0.00 H new ATOM 0 HA ASP A 24 12.849 -4.240 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.874 -1.739 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.594 -2.793 -2.516 1.00 0.00 H new ATOM 408 N TYR A 25 12.396 -4.087 -1.163 1.00 0.00 N ATOM 409 CA TYR A 25 12.352 -4.893 0.052 1.00 0.00 C ATOM 410 C TYR A 25 11.533 -6.160 -0.171 1.00 0.00 C ATOM 411 O TYR A 25 11.922 -7.246 0.257 1.00 0.00 O ATOM 412 CB TYR A 25 11.775 -4.077 1.216 1.00 0.00 C ATOM 413 CG TYR A 25 10.270 -3.930 1.179 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.652 -3.158 0.205 1.00 0.00 C ATOM 415 CD2 TYR A 25 9.468 -4.565 2.119 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.277 -3.023 0.166 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.092 -4.435 2.087 1.00 0.00 C ATOM 418 CZ TYR A 25 7.502 -3.663 1.109 1.00 0.00 C ATOM 419 OH TYR A 25 6.133 -3.531 1.073 1.00 0.00 O ATOM 0 H TYR A 25 12.026 -3.142 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 25 13.371 -5.186 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.060 -4.551 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.227 -3.085 1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.256 -2.654 -0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.927 -5.170 2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.812 -2.419 -0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.482 -4.936 2.825 1.00 0.00 H new ATOM 0 HH TYR A 25 5.735 -4.046 1.806 1.00 0.00 H new ATOM 429 N LYS A 26 10.402 -6.014 -0.853 1.00 0.00 N ATOM 430 CA LYS A 26 9.536 -7.150 -1.140 1.00 0.00 C ATOM 431 C LYS A 26 10.269 -8.175 -2.001 1.00 0.00 C ATOM 432 O LYS A 26 9.944 -9.362 -1.982 1.00 0.00 O ATOM 433 CB LYS A 26 8.260 -6.682 -1.846 1.00 0.00 C ATOM 434 CG LYS A 26 6.986 -7.046 -1.099 1.00 0.00 C ATOM 435 CD LYS A 26 5.909 -7.552 -2.047 1.00 0.00 C ATOM 436 CE LYS A 26 5.829 -9.069 -2.043 1.00 0.00 C ATOM 437 NZ LYS A 26 6.477 -9.665 -3.245 1.00 0.00 N ATOM 0 H LYS A 26 10.065 -5.122 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 26 9.261 -7.621 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.301 -5.600 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.225 -7.120 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.206 -7.811 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.617 -6.173 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.944 -7.135 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.118 -7.201 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.309 -9.455 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.784 -9.377 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.400 -10.701 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.003 -9.317 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.481 -9.393 -3.269 1.00 0.00 H new ATOM 451 N ALA A 27 11.262 -7.708 -2.754 1.00 0.00 N ATOM 452 CA ALA A 27 12.041 -8.584 -3.617 1.00 0.00 C ATOM 453 C ALA A 27 13.021 -9.430 -2.808 1.00 0.00 C ATOM 454 O ALA A 27 13.464 -10.484 -3.264 1.00 0.00 O ATOM 455 CB ALA A 27 12.784 -7.768 -4.666 1.00 0.00 C ATOM 0 H ALA A 27 11.544 -6.728 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 27 11.351 -9.261 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.362 -8.436 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.066 -7.217 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.456 -7.066 -4.172 1.00 0.00 H new ATOM 461 N GLY A 28 13.363 -8.964 -1.607 1.00 0.00 N ATOM 462 CA GLY A 28 14.294 -9.700 -0.770 1.00 0.00 C ATOM 463 C GLY A 28 13.729 -10.031 0.601 1.00 0.00 C ATOM 464 O GLY A 28 14.477 -10.367 1.518 1.00 0.00 O ATOM 0 H GLY A 28 13.014 -8.095 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.574 -10.625 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.206 -9.115 -0.649 1.00 0.00 H new ATOM 468 N LEU A 29 12.410 -9.935 0.748 1.00 0.00 N ATOM 469 CA LEU A 29 11.764 -10.228 2.024 1.00 0.00 C ATOM 470 C LEU A 29 11.154 -11.630 2.028 1.00 0.00 C ATOM 471 O LEU A 29 10.092 -11.851 2.609 1.00 0.00 O ATOM 472 CB LEU A 29 10.689 -9.181 2.329 1.00 0.00 C ATOM 473 CG LEU A 29 10.975 -8.304 3.550 1.00 0.00 C ATOM 474 CD1 LEU A 29 12.203 -7.441 3.312 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.768 -7.437 3.876 1.00 0.00 C ATOM 0 H LEU A 29 11.770 -9.658 0.003 1.00 0.00 H new ATOM 0 HA LEU A 29 12.526 -10.190 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.571 -8.538 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.738 -9.691 2.480 1.00 0.00 H new ATOM 0 HG LEU A 29 11.173 -8.954 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.390 -6.824 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.066 -8.080 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.034 -6.799 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.988 -6.820 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.540 -6.796 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.910 -8.074 4.090 1.00 0.00 H new ATOM 487 N GLU A 30 11.833 -12.574 1.384 1.00 0.00 N ATOM 488 CA GLU A 30 11.351 -13.951 1.325 1.00 0.00 C ATOM 489 C GLU A 30 12.354 -14.854 0.616 1.00 0.00 C ATOM 490 O GLU A 30 11.982 -15.693 -0.204 1.00 0.00 O ATOM 491 CB GLU A 30 9.999 -14.011 0.612 1.00 0.00 C ATOM 492 CG GLU A 30 9.260 -15.322 0.821 1.00 0.00 C ATOM 493 CD GLU A 30 7.962 -15.388 0.041 1.00 0.00 C ATOM 494 OE1 GLU A 30 6.996 -14.702 0.436 1.00 0.00 O ATOM 495 OE2 GLU A 30 7.910 -16.128 -0.964 1.00 0.00 O ATOM 0 H GLU A 30 12.715 -12.413 0.897 1.00 0.00 H new ATOM 0 HA GLU A 30 11.231 -14.309 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.374 -13.191 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.153 -13.857 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.903 -16.149 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.049 -15.451 1.883 1.00 0.00 H new ATOM 502 N LYS A 31 13.630 -14.673 0.940 1.00 0.00 N ATOM 503 CA LYS A 31 14.699 -15.465 0.338 1.00 0.00 C ATOM 504 C LYS A 31 14.566 -15.491 -1.176 1.00 0.00 C ATOM 505 O LYS A 31 14.911 -16.474 -1.833 1.00 0.00 O ATOM 506 CB LYS A 31 14.690 -16.891 0.893 1.00 0.00 C ATOM 507 CG LYS A 31 15.017 -16.969 2.377 1.00 0.00 C ATOM 508 CD LYS A 31 16.392 -17.573 2.617 1.00 0.00 C ATOM 509 CE LYS A 31 17.207 -16.738 3.591 1.00 0.00 C ATOM 510 NZ LYS A 31 17.510 -15.386 3.046 1.00 0.00 N ATOM 0 H LYS A 31 13.951 -13.982 1.619 1.00 0.00 H new ATOM 0 HA LYS A 31 15.650 -14.997 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.708 -17.332 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.411 -17.492 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.977 -15.970 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.262 -17.569 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.283 -18.585 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 31 16.926 -17.653 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.660 -16.637 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.139 -17.254 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.362 -15.008 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.673 -15.453 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.707 -14.751 3.227 1.00 0.00 H new ATOM 524 N LYS A 32 14.062 -14.394 -1.716 1.00 0.00 N ATOM 525 CA LYS A 32 13.872 -14.259 -3.155 1.00 0.00 C ATOM 526 C LYS A 32 14.996 -13.437 -3.777 1.00 0.00 C ATOM 527 O LYS A 32 15.559 -12.552 -3.132 1.00 0.00 O ATOM 528 CB LYS A 32 12.521 -13.605 -3.448 1.00 0.00 C ATOM 529 CG LYS A 32 11.860 -14.113 -4.720 1.00 0.00 C ATOM 530 CD LYS A 32 10.753 -13.179 -5.182 1.00 0.00 C ATOM 531 CE LYS A 32 9.380 -13.708 -4.797 1.00 0.00 C ATOM 532 NZ LYS A 32 8.315 -12.686 -4.991 1.00 0.00 N ATOM 0 H LYS A 32 13.774 -13.577 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 32 13.890 -15.255 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.852 -13.781 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.658 -12.527 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.608 -14.210 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.450 -15.108 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.900 -12.193 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.807 -13.057 -6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.150 -14.590 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.393 -14.025 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.395 -13.087 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.520 -11.855 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.285 -12.402 -5.991 1.00 0.00 H new ATOM 546 N LYS A 33 15.315 -13.729 -5.034 1.00 0.00 N ATOM 547 CA LYS A 33 16.369 -13.009 -5.740 1.00 0.00 C ATOM 548 C LYS A 33 16.073 -11.512 -5.760 1.00 0.00 C ATOM 549 O LYS A 33 16.671 -10.740 -5.012 1.00 0.00 O ATOM 550 CB LYS A 33 16.505 -13.532 -7.173 1.00 0.00 C ATOM 551 CG LYS A 33 17.522 -14.654 -7.318 1.00 0.00 C ATOM 552 CD LYS A 33 18.342 -14.504 -8.591 1.00 0.00 C ATOM 553 CE LYS A 33 19.720 -13.931 -8.303 1.00 0.00 C ATOM 554 NZ LYS A 33 19.802 -12.484 -8.646 1.00 0.00 N ATOM 0 H LYS A 33 14.860 -14.458 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 33 17.308 -13.175 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.533 -13.888 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.791 -12.707 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.187 -14.657 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.007 -15.614 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.445 -15.475 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.815 -13.854 -9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.957 -14.068 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.469 -14.482 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.757 -12.131 -8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.601 -12.355 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.105 -11.954 -8.084 1.00 0.00 H new ATOM 568 N LEU A 34 15.138 -11.115 -6.617 1.00 0.00 N ATOM 569 CA LEU A 34 14.748 -9.717 -6.737 1.00 0.00 C ATOM 570 C LEU A 34 13.502 -9.586 -7.607 1.00 0.00 C ATOM 571 O LEU A 34 12.831 -10.576 -7.899 1.00 0.00 O ATOM 572 CB LEU A 34 15.898 -8.887 -7.319 1.00 0.00 C ATOM 573 CG LEU A 34 16.269 -7.639 -6.512 1.00 0.00 C ATOM 574 CD1 LEU A 34 16.642 -8.013 -5.085 1.00 0.00 C ATOM 575 CD2 LEU A 34 17.413 -6.888 -7.184 1.00 0.00 C ATOM 0 H LEU A 34 14.635 -11.746 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 34 14.517 -9.336 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.779 -9.523 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 34 15.630 -8.581 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 34 15.399 -6.983 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.902 -7.112 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.796 -8.504 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.496 -8.691 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.663 -6.004 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.285 -7.538 -7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.110 -6.584 -8.186 1.00 0.00 H new ATOM 587 N SER A 35 13.192 -8.361 -8.009 1.00 0.00 N ATOM 588 CA SER A 35 12.020 -8.102 -8.834 1.00 0.00 C ATOM 589 C SER A 35 12.356 -8.180 -10.322 1.00 0.00 C ATOM 590 O SER A 35 11.926 -7.337 -11.108 1.00 0.00 O ATOM 591 CB SER A 35 11.435 -6.728 -8.503 1.00 0.00 C ATOM 592 OG SER A 35 10.717 -6.760 -7.282 1.00 0.00 O ATOM 0 H SER A 35 13.736 -7.530 -7.777 1.00 0.00 H new ATOM 0 HA SER A 35 11.281 -8.872 -8.614 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.238 -5.994 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.775 -6.407 -9.309 1.00 0.00 H new ATOM 0 HG SER A 35 10.354 -5.870 -7.092 1.00 0.00 H new ATOM 598 N ASP A 36 13.112 -9.205 -10.710 1.00 0.00 N ATOM 599 CA ASP A 36 13.480 -9.389 -12.110 1.00 0.00 C ATOM 600 C ASP A 36 12.225 -9.497 -12.966 1.00 0.00 C ATOM 601 O ASP A 36 12.201 -9.070 -14.121 1.00 0.00 O ATOM 602 CB ASP A 36 14.341 -10.641 -12.277 1.00 0.00 C ATOM 603 CG ASP A 36 14.938 -10.752 -13.668 1.00 0.00 C ATOM 604 OD1 ASP A 36 14.372 -10.153 -14.606 1.00 0.00 O ATOM 605 OD2 ASP A 36 15.970 -11.439 -13.818 1.00 0.00 O ATOM 0 H ASP A 36 13.479 -9.916 -10.078 1.00 0.00 H new ATOM 0 HA ASP A 36 14.060 -8.525 -12.436 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.144 -10.627 -11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.736 -11.524 -12.073 1.00 0.00 H new ATOM 610 N ASP A 37 11.177 -10.061 -12.376 1.00 0.00 N ATOM 611 CA ASP A 37 9.900 -10.222 -13.055 1.00 0.00 C ATOM 612 C ASP A 37 8.746 -9.952 -12.090 1.00 0.00 C ATOM 613 O ASP A 37 7.602 -10.318 -12.359 1.00 0.00 O ATOM 614 CB ASP A 37 9.779 -11.633 -13.634 1.00 0.00 C ATOM 615 CG ASP A 37 10.042 -12.709 -12.598 1.00 0.00 C ATOM 616 OD1 ASP A 37 11.216 -12.879 -12.204 1.00 0.00 O ATOM 617 OD2 ASP A 37 9.077 -13.381 -12.182 1.00 0.00 O ATOM 0 H ASP A 37 11.190 -10.417 -11.420 1.00 0.00 H new ATOM 0 HA ASP A 37 9.851 -9.502 -13.871 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.780 -11.768 -14.048 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.484 -11.746 -14.458 1.00 0.00 H new ATOM 622 N ASP A 38 9.056 -9.313 -10.962 1.00 0.00 N ATOM 623 CA ASP A 38 8.046 -8.998 -9.960 1.00 0.00 C ATOM 624 C ASP A 38 7.266 -7.747 -10.343 1.00 0.00 C ATOM 625 O ASP A 38 7.825 -6.796 -10.889 1.00 0.00 O ATOM 626 CB ASP A 38 8.706 -8.803 -8.593 1.00 0.00 C ATOM 627 CG ASP A 38 7.704 -8.846 -7.456 1.00 0.00 C ATOM 628 OD1 ASP A 38 6.645 -9.488 -7.622 1.00 0.00 O ATOM 629 OD2 ASP A 38 7.979 -8.240 -6.400 1.00 0.00 O ATOM 0 H ASP A 38 9.998 -9.005 -10.722 1.00 0.00 H new ATOM 0 HA ASP A 38 7.348 -9.833 -9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.457 -9.578 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.228 -7.846 -8.578 1.00 0.00 H new ATOM 634 N GLU A 39 5.970 -7.753 -10.049 1.00 0.00 N ATOM 635 CA GLU A 39 5.111 -6.618 -10.359 1.00 0.00 C ATOM 636 C GLU A 39 4.425 -6.101 -9.099 1.00 0.00 C ATOM 637 O GLU A 39 3.498 -6.724 -8.584 1.00 0.00 O ATOM 638 CB GLU A 39 4.062 -7.012 -11.401 1.00 0.00 C ATOM 639 CG GLU A 39 3.627 -5.858 -12.290 1.00 0.00 C ATOM 640 CD GLU A 39 3.087 -6.325 -13.627 1.00 0.00 C ATOM 641 OE1 GLU A 39 2.700 -7.507 -13.731 1.00 0.00 O ATOM 642 OE2 GLU A 39 3.051 -5.507 -14.572 1.00 0.00 O ATOM 0 H GLU A 39 5.492 -8.532 -9.596 1.00 0.00 H new ATOM 0 HA GLU A 39 5.734 -5.822 -10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.464 -7.810 -12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.188 -7.416 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.862 -5.277 -11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.474 -5.193 -12.457 1.00 0.00 H new ATOM 649 N ILE A 40 4.892 -4.959 -8.606 1.00 0.00 N ATOM 650 CA ILE A 40 4.326 -4.357 -7.405 1.00 0.00 C ATOM 651 C ILE A 40 3.586 -3.066 -7.739 1.00 0.00 C ATOM 652 O ILE A 40 3.944 -2.360 -8.682 1.00 0.00 O ATOM 653 CB ILE A 40 5.417 -4.051 -6.357 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.430 -5.197 -6.283 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.786 -3.808 -4.994 1.00 0.00 C ATOM 656 CD1 ILE A 40 5.803 -6.546 -6.002 1.00 0.00 C ATOM 0 H ILE A 40 5.661 -4.432 -9.020 1.00 0.00 H new ATOM 0 HA ILE A 40 3.627 -5.082 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 40 5.945 -3.147 -6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.976 -5.249 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.159 -4.976 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.567 -3.593 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.104 -2.960 -5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.235 -4.696 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.581 -7.308 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.281 -6.512 -5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.095 -6.790 -6.794 1.00 0.00 H new ATOM 668 N ALA A 41 2.551 -2.764 -6.962 1.00 0.00 N ATOM 669 CA ALA A 41 1.761 -1.558 -7.180 1.00 0.00 C ATOM 670 C ALA A 41 1.259 -0.977 -5.863 1.00 0.00 C ATOM 671 O ALA A 41 1.020 -1.708 -4.901 1.00 0.00 O ATOM 672 CB ALA A 41 0.591 -1.857 -8.105 1.00 0.00 C ATOM 0 H ALA A 41 2.240 -3.337 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 41 2.405 -0.814 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.009 -0.949 -8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.967 -2.215 -9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.042 -2.622 -7.655 1.00 0.00 H new ATOM 678 N ILE A 42 1.098 0.342 -5.830 1.00 0.00 N ATOM 679 CA ILE A 42 0.620 1.027 -4.635 1.00 0.00 C ATOM 680 C ILE A 42 -0.452 2.054 -4.986 1.00 0.00 C ATOM 681 O ILE A 42 -0.180 3.040 -5.669 1.00 0.00 O ATOM 682 CB ILE A 42 1.765 1.735 -3.884 1.00 0.00 C ATOM 683 CG1 ILE A 42 2.661 2.503 -4.864 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.576 0.729 -3.081 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.599 1.620 -5.663 1.00 0.00 C ATOM 0 H ILE A 42 1.292 0.959 -6.619 1.00 0.00 H new ATOM 0 HA ILE A 42 0.195 0.262 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 42 1.331 2.454 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.030 3.064 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.250 3.231 -4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.380 1.245 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.929 0.236 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.001 -0.016 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.198 2.237 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.257 1.079 -4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.018 0.908 -6.249 1.00 0.00 H new ATOM 697 N ILE A 43 -1.671 1.816 -4.514 1.00 0.00 N ATOM 698 CA ILE A 43 -2.781 2.722 -4.780 1.00 0.00 C ATOM 699 C ILE A 43 -3.028 3.652 -3.598 1.00 0.00 C ATOM 700 O ILE A 43 -3.414 3.207 -2.516 1.00 0.00 O ATOM 701 CB ILE A 43 -4.079 1.949 -5.091 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.810 0.850 -6.119 1.00 0.00 C ATOM 703 CG2 ILE A 43 -5.153 2.902 -5.594 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.346 1.375 -7.460 1.00 0.00 C ATOM 0 H ILE A 43 -1.915 1.004 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.502 3.313 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.436 1.481 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.055 0.171 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.720 0.267 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.064 2.343 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.360 3.652 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.806 3.394 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.175 0.539 -8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.110 2.031 -7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.419 1.933 -7.331 1.00 0.00 H new ATOM 716 N SER A 44 -2.804 4.944 -3.812 1.00 0.00 N ATOM 717 CA SER A 44 -3.003 5.939 -2.765 1.00 0.00 C ATOM 718 C SER A 44 -4.350 6.633 -2.926 1.00 0.00 C ATOM 719 O SER A 44 -4.695 7.095 -4.015 1.00 0.00 O ATOM 720 CB SER A 44 -1.876 6.973 -2.791 1.00 0.00 C ATOM 721 OG SER A 44 -2.111 7.960 -3.779 1.00 0.00 O ATOM 0 H SER A 44 -2.484 5.327 -4.702 1.00 0.00 H new ATOM 0 HA SER A 44 -2.991 5.426 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.790 7.447 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.927 6.475 -2.988 1.00 0.00 H new ATOM 0 HG SER A 44 -2.420 7.530 -4.604 1.00 0.00 H new ATOM 727 N ILE A 45 -5.105 6.706 -1.835 1.00 0.00 N ATOM 728 CA ILE A 45 -6.415 7.345 -1.853 1.00 0.00 C ATOM 729 C ILE A 45 -6.819 7.787 -0.453 1.00 0.00 C ATOM 730 O ILE A 45 -7.960 7.590 -0.032 1.00 0.00 O ATOM 731 CB ILE A 45 -7.500 6.406 -2.422 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.599 5.126 -1.586 1.00 0.00 C ATOM 733 CG2 ILE A 45 -7.210 6.078 -3.880 1.00 0.00 C ATOM 734 CD1 ILE A 45 -6.390 4.222 -1.705 1.00 0.00 C ATOM 0 H ILE A 45 -4.832 6.330 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.335 8.217 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.460 6.919 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.737 5.397 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.487 4.572 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.985 5.415 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.197 6.998 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.241 5.586 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.535 3.337 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.263 3.920 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.501 4.757 -1.371 1.00 0.00 H new ATOM 746 N LYS A 46 -5.872 8.383 0.263 1.00 0.00 N ATOM 747 CA LYS A 46 -6.115 8.857 1.621 1.00 0.00 C ATOM 748 C LYS A 46 -6.386 7.692 2.568 1.00 0.00 C ATOM 749 O LYS A 46 -5.538 7.335 3.385 1.00 0.00 O ATOM 750 CB LYS A 46 -7.291 9.839 1.645 1.00 0.00 C ATOM 751 CG LYS A 46 -7.649 10.330 3.039 1.00 0.00 C ATOM 752 CD LYS A 46 -9.003 9.803 3.487 1.00 0.00 C ATOM 753 CE LYS A 46 -10.143 10.583 2.849 1.00 0.00 C ATOM 754 NZ LYS A 46 -11.467 9.965 3.136 1.00 0.00 N ATOM 0 H LYS A 46 -4.925 8.550 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.217 9.373 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.049 10.697 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.164 9.358 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.882 10.012 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.660 11.420 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.090 8.749 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.079 9.868 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.133 11.608 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.991 10.632 1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.217 10.526 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.486 8.995 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.624 9.942 4.164 1.00 0.00 H new ATOM 768 N GLY A 47 -7.578 7.112 2.461 1.00 0.00 N ATOM 769 CA GLY A 47 -7.943 6.005 3.325 1.00 0.00 C ATOM 770 C GLY A 47 -7.896 6.407 4.781 1.00 0.00 C ATOM 771 O GLY A 47 -8.891 6.863 5.344 1.00 0.00 O ATOM 0 H GLY A 47 -8.296 7.389 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.946 5.659 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.265 5.169 3.154 1.00 0.00 H new ATOM 775 N THR A 48 -6.725 6.262 5.382 1.00 0.00 N ATOM 776 CA THR A 48 -6.523 6.637 6.773 1.00 0.00 C ATOM 777 C THR A 48 -5.488 7.754 6.862 1.00 0.00 C ATOM 778 O THR A 48 -5.573 8.623 7.728 1.00 0.00 O ATOM 779 CB THR A 48 -6.071 5.430 7.597 1.00 0.00 C ATOM 780 OG1 THR A 48 -6.626 4.233 7.081 1.00 0.00 O ATOM 781 CG2 THR A 48 -6.461 5.526 9.056 1.00 0.00 C ATOM 0 H THR A 48 -5.895 5.885 4.924 1.00 0.00 H new ATOM 0 HA THR A 48 -7.469 6.993 7.180 1.00 0.00 H new ATOM 0 HB THR A 48 -4.983 5.421 7.526 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.324 3.473 7.621 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.111 4.640 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.007 6.414 9.496 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.546 5.594 9.139 1.00 0.00 H new ATOM 789 N GLN A 49 -4.521 7.718 5.941 1.00 0.00 N ATOM 790 CA GLN A 49 -3.449 8.719 5.871 1.00 0.00 C ATOM 791 C GLN A 49 -2.275 8.197 5.043 1.00 0.00 C ATOM 792 O GLN A 49 -1.121 8.522 5.325 1.00 0.00 O ATOM 793 CB GLN A 49 -2.945 9.098 7.270 1.00 0.00 C ATOM 794 CG GLN A 49 -2.324 7.937 8.030 1.00 0.00 C ATOM 795 CD GLN A 49 -3.311 7.238 8.946 1.00 0.00 C ATOM 796 OE1 GLN A 49 -4.130 7.879 9.603 1.00 0.00 O ATOM 797 NE2 GLN A 49 -3.234 5.912 8.995 1.00 0.00 N ATOM 0 H GLN A 49 -4.458 6.996 5.223 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.867 9.605 5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.208 9.896 7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.777 9.498 7.850 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.923 7.216 7.318 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.484 8.303 8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.539 5.420 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.870 5.386 9.595 1.00 0.00 H new ATOM 806 N SER A 50 -2.568 7.388 4.024 1.00 0.00 N ATOM 807 CA SER A 50 -1.528 6.823 3.168 1.00 0.00 C ATOM 808 C SER A 50 -2.140 5.894 2.120 1.00 0.00 C ATOM 809 O SER A 50 -3.329 5.987 1.815 1.00 0.00 O ATOM 810 CB SER A 50 -0.499 6.059 4.013 1.00 0.00 C ATOM 811 OG SER A 50 -0.921 4.727 4.251 1.00 0.00 O ATOM 0 H SER A 50 -3.517 7.110 3.773 1.00 0.00 H new ATOM 0 HA SER A 50 -1.024 7.642 2.654 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.463 6.053 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.351 6.572 4.963 1.00 0.00 H new ATOM 0 HG SER A 50 -0.247 4.262 4.790 1.00 0.00 H new ATOM 817 N ASN A 51 -1.321 5.000 1.572 1.00 0.00 N ATOM 818 CA ASN A 51 -1.786 4.057 0.560 1.00 0.00 C ATOM 819 C ASN A 51 -1.568 2.617 1.018 1.00 0.00 C ATOM 820 O ASN A 51 -1.172 2.371 2.157 1.00 0.00 O ATOM 821 CB ASN A 51 -1.053 4.302 -0.761 1.00 0.00 C ATOM 822 CG ASN A 51 0.436 4.028 -0.659 1.00 0.00 C ATOM 823 OD1 ASN A 51 0.853 2.957 -0.219 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.246 5.000 -1.065 1.00 0.00 N ATOM 0 H ASN A 51 -0.334 4.909 1.812 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.855 4.213 0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.484 3.667 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.209 5.335 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.257 4.874 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.857 5.872 -1.423 1.00 0.00 H new ATOM 831 N HIS A 52 -1.826 1.670 0.119 1.00 0.00 N ATOM 832 CA HIS A 52 -1.652 0.255 0.431 1.00 0.00 C ATOM 833 C HIS A 52 -0.917 -0.463 -0.697 1.00 0.00 C ATOM 834 O HIS A 52 -1.088 -0.134 -1.871 1.00 0.00 O ATOM 835 CB HIS A 52 -3.007 -0.419 0.686 1.00 0.00 C ATOM 836 CG HIS A 52 -4.163 0.251 0.009 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.230 0.446 -1.356 1.00 0.00 N ATOM 838 CD2 HIS A 52 -5.308 0.769 0.516 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.364 1.054 -1.657 1.00 0.00 C ATOM 840 NE2 HIS A 52 -6.034 1.261 -0.539 1.00 0.00 N ATOM 0 H HIS A 52 -2.155 1.857 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.052 0.186 1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.954 -1.455 0.350 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.193 -0.442 1.760 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -3.516 0.165 -2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.595 0.791 1.557 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.687 1.334 -2.649 1.00 0.00 H new ATOM 849 N VAL A 53 -0.094 -1.440 -0.331 1.00 0.00 N ATOM 850 CA VAL A 53 0.674 -2.202 -1.309 1.00 0.00 C ATOM 851 C VAL A 53 -0.009 -3.525 -1.642 1.00 0.00 C ATOM 852 O VAL A 53 -0.806 -4.038 -0.858 1.00 0.00 O ATOM 853 CB VAL A 53 2.101 -2.491 -0.804 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.961 -3.051 -1.926 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.731 -1.234 -0.219 1.00 0.00 C ATOM 0 H VAL A 53 0.058 -1.723 0.637 1.00 0.00 H new ATOM 0 HA VAL A 53 0.730 -1.588 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 53 2.039 -3.239 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.965 -3.249 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.521 -3.978 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.014 -2.328 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.738 -1.461 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.779 -0.461 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.127 -0.880 0.617 1.00 0.00 H new ATOM 865 N LEU A 54 0.315 -4.073 -2.811 1.00 0.00 N ATOM 866 CA LEU A 54 -0.262 -5.339 -3.252 1.00 0.00 C ATOM 867 C LEU A 54 0.457 -5.858 -4.496 1.00 0.00 C ATOM 868 O LEU A 54 0.941 -5.078 -5.315 1.00 0.00 O ATOM 869 CB LEU A 54 -1.757 -5.174 -3.537 1.00 0.00 C ATOM 870 CG LEU A 54 -2.689 -5.794 -2.494 1.00 0.00 C ATOM 871 CD1 LEU A 54 -4.142 -5.502 -2.835 1.00 0.00 C ATOM 872 CD2 LEU A 54 -2.454 -7.294 -2.391 1.00 0.00 C ATOM 0 H LEU A 54 0.975 -3.659 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.135 -6.068 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.981 -4.110 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.977 -5.618 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.467 -5.345 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.790 -5.951 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.302 -4.424 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.378 -5.922 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.126 -7.717 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.646 -7.760 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.421 -7.481 -2.097 1.00 0.00 H new ATOM 884 N PHE A 55 0.522 -7.178 -4.627 1.00 0.00 N ATOM 885 CA PHE A 55 1.180 -7.803 -5.770 1.00 0.00 C ATOM 886 C PHE A 55 0.374 -7.589 -7.049 1.00 0.00 C ATOM 887 O PHE A 55 -0.834 -7.354 -7.001 1.00 0.00 O ATOM 888 CB PHE A 55 1.372 -9.301 -5.513 1.00 0.00 C ATOM 889 CG PHE A 55 1.974 -10.043 -6.673 1.00 0.00 C ATOM 890 CD1 PHE A 55 1.166 -10.559 -7.674 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.344 -10.225 -6.762 1.00 0.00 C ATOM 892 CE1 PHE A 55 1.716 -11.243 -8.743 1.00 0.00 C ATOM 893 CE2 PHE A 55 3.899 -10.908 -7.828 1.00 0.00 C ATOM 894 CZ PHE A 55 3.084 -11.418 -8.819 1.00 0.00 C ATOM 0 H PHE A 55 0.127 -7.837 -3.956 1.00 0.00 H new ATOM 0 HA PHE A 55 2.156 -7.335 -5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.011 -9.431 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.407 -9.745 -5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.096 -10.426 -7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.986 -9.829 -5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.076 -11.640 -9.518 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.969 -11.043 -7.886 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.515 -11.953 -9.652 1.00 0.00 H new ATOM 904 N LEU A 56 1.051 -7.670 -8.191 1.00 0.00 N ATOM 905 CA LEU A 56 0.400 -7.485 -9.484 1.00 0.00 C ATOM 906 C LEU A 56 0.689 -8.662 -10.411 1.00 0.00 C ATOM 907 O LEU A 56 1.823 -9.136 -10.494 1.00 0.00 O ATOM 908 CB LEU A 56 0.869 -6.177 -10.130 1.00 0.00 C ATOM 909 CG LEU A 56 -0.163 -5.048 -10.133 1.00 0.00 C ATOM 910 CD1 LEU A 56 -1.310 -5.376 -11.076 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.683 -4.797 -8.726 1.00 0.00 C ATOM 0 H LEU A 56 2.051 -7.863 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.676 -7.434 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.761 -5.831 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.162 -6.383 -11.159 1.00 0.00 H new ATOM 0 HG LEU A 56 0.323 -4.139 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.034 -4.562 -11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.924 -5.505 -12.087 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.795 -6.297 -10.753 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.416 -3.991 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.152 -5.704 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.146 -4.516 -8.076 1.00 0.00 H new ATOM 923 N SER A 57 -0.342 -9.131 -11.107 1.00 0.00 N ATOM 924 CA SER A 57 -0.198 -10.254 -12.027 1.00 0.00 C ATOM 925 C SER A 57 -0.056 -9.763 -13.466 1.00 0.00 C ATOM 926 O SER A 57 -0.436 -8.638 -13.788 1.00 0.00 O ATOM 927 CB SER A 57 -1.398 -11.195 -11.910 1.00 0.00 C ATOM 928 OG SER A 57 -1.127 -12.256 -11.010 1.00 0.00 O ATOM 0 H SER A 57 -1.287 -8.751 -11.051 1.00 0.00 H new ATOM 0 HA SER A 57 0.707 -10.799 -11.758 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.270 -10.637 -11.568 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.644 -11.600 -12.892 1.00 0.00 H new ATOM 0 HG SER A 57 -1.910 -12.843 -10.951 1.00 0.00 H new ATOM 934 N SER A 58 0.495 -10.615 -14.326 1.00 0.00 N ATOM 935 CA SER A 58 0.689 -10.267 -15.729 1.00 0.00 C ATOM 936 C SER A 58 -0.220 -11.098 -16.630 1.00 0.00 C ATOM 937 O SER A 58 -0.271 -12.323 -16.519 1.00 0.00 O ATOM 938 CB SER A 58 2.150 -10.473 -16.130 1.00 0.00 C ATOM 939 OG SER A 58 2.515 -9.609 -17.194 1.00 0.00 O ATOM 0 H SER A 58 0.815 -11.551 -14.075 1.00 0.00 H new ATOM 0 HA SER A 58 0.429 -9.216 -15.854 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.795 -10.289 -15.271 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.305 -11.509 -16.430 1.00 0.00 H new ATOM 0 HG SER A 58 3.454 -9.759 -17.430 1.00 0.00 H new ATOM 945 N TYR A 59 -0.939 -10.422 -17.523 1.00 0.00 N ATOM 946 CA TYR A 59 -1.849 -11.094 -18.447 1.00 0.00 C ATOM 947 C TYR A 59 -2.602 -10.079 -19.304 1.00 0.00 C ATOM 948 O TYR A 59 -3.597 -9.504 -18.868 1.00 0.00 O ATOM 949 CB TYR A 59 -2.847 -11.978 -17.686 1.00 0.00 C ATOM 950 CG TYR A 59 -3.208 -11.473 -16.301 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.263 -10.113 -16.019 1.00 0.00 C ATOM 952 CD2 TYR A 59 -3.496 -12.366 -15.276 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.596 -9.658 -14.758 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.828 -11.918 -14.012 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.876 -10.565 -13.757 1.00 0.00 C ATOM 956 OH TYR A 59 -4.207 -10.115 -12.500 1.00 0.00 O ATOM 0 H TYR A 59 -0.909 -9.408 -17.626 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.249 -11.727 -19.101 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.759 -12.065 -18.276 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.429 -12.981 -17.596 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.042 -9.400 -16.799 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.460 -13.428 -15.471 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.637 -8.598 -14.557 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.049 -12.626 -13.227 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.282 -10.877 -11.889 1.00 0.00 H new ATOM 966 N ASN A 60 -2.115 -9.866 -20.528 1.00 0.00 N ATOM 967 CA ASN A 60 -2.731 -8.916 -21.461 1.00 0.00 C ATOM 968 C ASN A 60 -4.258 -8.934 -21.369 1.00 0.00 C ATOM 969 O ASN A 60 -4.878 -7.929 -21.024 1.00 0.00 O ATOM 970 CB ASN A 60 -2.293 -9.218 -22.898 1.00 0.00 C ATOM 971 CG ASN A 60 -2.172 -10.706 -23.175 1.00 0.00 C ATOM 972 OD1 ASN A 60 -1.278 -11.374 -22.657 1.00 0.00 O ATOM 973 ND2 ASN A 60 -3.074 -11.231 -23.998 1.00 0.00 N ATOM 0 H ASN A 60 -1.292 -10.340 -20.899 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.391 -7.919 -21.180 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.011 -8.781 -23.592 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.333 -8.738 -23.089 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.042 -12.225 -24.222 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.798 -10.639 -24.405 1.00 0.00 H new ATOM 980 N SER A 61 -4.856 -10.079 -21.677 1.00 0.00 N ATOM 981 CA SER A 61 -6.307 -10.222 -21.627 1.00 0.00 C ATOM 982 C SER A 61 -6.803 -10.222 -20.178 1.00 0.00 C ATOM 983 O SER A 61 -6.160 -9.648 -19.305 1.00 0.00 O ATOM 984 CB SER A 61 -6.727 -11.513 -22.336 1.00 0.00 C ATOM 985 OG SER A 61 -6.590 -12.633 -21.478 1.00 0.00 O ATOM 0 H SER A 61 -4.359 -10.922 -21.964 1.00 0.00 H new ATOM 0 HA SER A 61 -6.759 -9.373 -22.139 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.762 -11.429 -22.668 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.117 -11.657 -23.228 1.00 0.00 H new ATOM 0 HG SER A 61 -6.866 -13.445 -21.953 1.00 0.00 H new ATOM 991 N VAL A 62 -7.947 -10.869 -19.940 1.00 0.00 N ATOM 992 CA VAL A 62 -8.554 -10.969 -18.607 1.00 0.00 C ATOM 993 C VAL A 62 -9.376 -9.732 -18.241 1.00 0.00 C ATOM 994 O VAL A 62 -10.442 -9.861 -17.642 1.00 0.00 O ATOM 995 CB VAL A 62 -7.522 -11.317 -17.492 1.00 0.00 C ATOM 996 CG1 VAL A 62 -6.442 -12.241 -18.033 1.00 0.00 C ATOM 997 CG2 VAL A 62 -6.893 -10.084 -16.850 1.00 0.00 C ATOM 0 H VAL A 62 -8.482 -11.341 -20.669 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.246 -11.809 -18.667 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.078 -11.829 -16.706 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.731 -12.473 -17.240 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.899 -13.163 -18.392 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.921 -11.750 -18.855 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.184 -10.395 -16.082 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.372 -9.503 -17.611 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.673 -9.472 -16.397 1.00 0.00 H new ATOM 1007 N ASP A 63 -8.897 -8.542 -18.600 1.00 0.00 N ATOM 1008 CA ASP A 63 -9.616 -7.300 -18.298 1.00 0.00 C ATOM 1009 C ASP A 63 -9.625 -7.013 -16.794 1.00 0.00 C ATOM 1010 O ASP A 63 -9.347 -5.890 -16.362 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.048 -7.354 -18.861 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.097 -7.732 -17.827 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -12.357 -6.916 -16.919 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -12.659 -8.843 -17.931 1.00 0.00 O ATOM 0 H ASP A 63 -8.017 -8.409 -19.099 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.089 -6.479 -18.784 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.300 -6.381 -19.283 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.081 -8.074 -19.679 1.00 0.00 H new ATOM 1019 N GLU A 64 -9.939 -8.031 -15.992 1.00 0.00 N ATOM 1020 CA GLU A 64 -9.970 -7.880 -14.545 1.00 0.00 C ATOM 1021 C GLU A 64 -8.704 -7.188 -14.050 1.00 0.00 C ATOM 1022 O GLU A 64 -8.711 -6.561 -12.993 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.128 -9.243 -13.866 1.00 0.00 C ATOM 1024 CG GLU A 64 -8.921 -10.151 -14.034 1.00 0.00 C ATOM 1025 CD GLU A 64 -9.304 -11.599 -14.277 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -10.506 -11.923 -14.171 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -8.401 -12.410 -14.571 1.00 0.00 O ATOM 0 H GLU A 64 -10.175 -8.966 -16.324 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.828 -7.260 -14.285 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.312 -9.090 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.007 -9.742 -14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.317 -9.795 -14.869 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.299 -10.089 -13.141 1.00 0.00 H new ATOM 1034 N ILE A 65 -7.617 -7.302 -14.826 1.00 0.00 N ATOM 1035 CA ILE A 65 -6.338 -6.670 -14.462 1.00 0.00 C ATOM 1036 C ILE A 65 -6.565 -5.354 -13.724 1.00 0.00 C ATOM 1037 O ILE A 65 -6.230 -5.220 -12.546 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.453 -6.363 -15.691 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -5.513 -7.487 -16.723 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -4.015 -6.122 -15.251 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.664 -7.221 -17.948 1.00 0.00 C ATOM 0 H ILE A 65 -7.596 -7.822 -15.704 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.830 -7.392 -13.823 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.839 -5.461 -16.166 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.185 -8.416 -16.257 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.548 -7.633 -17.032 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.399 -5.906 -16.124 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.981 -5.276 -14.565 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.634 -7.011 -14.749 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.752 -8.058 -18.640 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.006 -6.309 -18.437 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.622 -7.104 -17.650 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.144 -4.387 -14.430 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.427 -3.082 -13.852 1.00 0.00 C ATOM 1055 C ARG A 66 -8.685 -3.136 -12.995 1.00 0.00 C ATOM 1056 O ARG A 66 -8.789 -2.443 -11.983 1.00 0.00 O ATOM 1057 CB ARG A 66 -7.590 -2.034 -14.953 1.00 0.00 C ATOM 1058 CG ARG A 66 -6.298 -1.719 -15.691 1.00 0.00 C ATOM 1059 CD ARG A 66 -6.154 -0.229 -15.962 1.00 0.00 C ATOM 1060 NE ARG A 66 -6.459 0.107 -17.351 1.00 0.00 N ATOM 1061 CZ ARG A 66 -7.691 0.297 -17.816 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -8.740 0.187 -17.011 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -7.875 0.602 -19.094 1.00 0.00 N ATOM 0 H ARG A 66 -7.426 -4.485 -15.405 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.585 -2.801 -13.219 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.332 -2.385 -15.670 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.981 -1.116 -14.514 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.449 -2.066 -15.102 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.276 -2.264 -16.634 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.819 0.326 -15.300 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.137 0.085 -15.728 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.681 0.202 -18.003 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.606 -0.045 -16.027 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.681 0.334 -17.376 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.073 0.690 -19.718 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.819 0.748 -19.453 1.00 0.00 H new ATOM 1077 N LYS A 67 -9.641 -3.970 -13.404 1.00 0.00 N ATOM 1078 CA LYS A 67 -10.890 -4.113 -12.663 1.00 0.00 C ATOM 1079 C LYS A 67 -10.615 -4.462 -11.202 1.00 0.00 C ATOM 1080 O LYS A 67 -11.302 -3.989 -10.296 1.00 0.00 O ATOM 1081 CB LYS A 67 -11.768 -5.190 -13.304 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.247 -4.841 -13.320 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.109 -6.072 -13.556 1.00 0.00 C ATOM 1084 CE LYS A 67 -14.957 -5.928 -14.810 1.00 0.00 C ATOM 1085 NZ LYS A 67 -15.854 -4.742 -14.741 1.00 0.00 N ATOM 0 H LYS A 67 -9.574 -4.552 -14.239 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.418 -3.160 -12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.432 -5.359 -14.327 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.630 -6.127 -12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.523 -4.379 -12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.440 -4.106 -14.101 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.472 -6.952 -13.646 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.757 -6.234 -12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.306 -5.841 -15.680 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.556 -6.828 -14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.702 -4.914 -15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.135 -4.576 -13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.352 -3.906 -15.103 1.00 0.00 H new ATOM 1099 N GLU A 68 -9.600 -5.292 -10.984 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.220 -5.708 -9.640 1.00 0.00 C ATOM 1101 C GLU A 68 -8.504 -4.579 -8.909 1.00 0.00 C ATOM 1102 O GLU A 68 -8.841 -4.251 -7.771 1.00 0.00 O ATOM 1103 CB GLU A 68 -8.318 -6.942 -9.706 1.00 0.00 C ATOM 1104 CG GLU A 68 -8.565 -7.939 -8.585 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.468 -9.080 -9.008 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -9.307 -9.574 -10.144 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -10.336 -9.481 -8.204 1.00 0.00 O ATOM 0 H GLU A 68 -9.024 -5.691 -11.725 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.127 -5.958 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.468 -7.441 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.276 -6.622 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.611 -8.342 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.012 -7.422 -7.736 1.00 0.00 H new ATOM 1114 N LEU A 69 -7.516 -3.985 -9.571 1.00 0.00 N ATOM 1115 CA LEU A 69 -6.756 -2.889 -8.984 1.00 0.00 C ATOM 1116 C LEU A 69 -7.677 -1.728 -8.626 1.00 0.00 C ATOM 1117 O LEU A 69 -7.583 -1.162 -7.538 1.00 0.00 O ATOM 1118 CB LEU A 69 -5.665 -2.419 -9.949 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.313 -3.114 -9.782 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.426 -4.591 -10.127 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.256 -2.442 -10.646 1.00 0.00 C ATOM 0 H LEU A 69 -7.224 -4.244 -10.513 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.284 -3.251 -8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.013 -2.574 -10.970 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.524 -1.346 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.009 -3.027 -8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.454 -5.069 -10.002 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.151 -5.065 -9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.754 -4.699 -11.161 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.301 -2.950 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.554 -2.496 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.155 -1.398 -10.351 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.576 -1.386 -9.544 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.519 -0.300 -9.312 1.00 0.00 C ATOM 1135 C GLU A 70 -10.383 -0.605 -8.093 1.00 0.00 C ATOM 1136 O GLU A 70 -10.793 0.299 -7.364 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.401 -0.082 -10.545 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.485 1.372 -10.980 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.387 1.540 -12.483 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -11.291 1.054 -13.195 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -9.406 2.157 -12.949 1.00 0.00 O ATOM 0 H GLU A 70 -8.670 -1.843 -10.451 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.955 0.614 -9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.012 -0.678 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.405 -0.448 -10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.426 1.797 -10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.684 1.937 -10.503 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.646 -1.891 -7.876 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.449 -2.327 -6.742 1.00 0.00 C ATOM 1150 C GLU A 71 -10.691 -2.110 -5.437 1.00 0.00 C ATOM 1151 O GLU A 71 -11.235 -1.574 -4.471 1.00 0.00 O ATOM 1152 CB GLU A 71 -11.822 -3.804 -6.889 1.00 0.00 C ATOM 1153 CG GLU A 71 -12.774 -4.301 -5.813 1.00 0.00 C ATOM 1154 CD GLU A 71 -12.477 -5.725 -5.386 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -11.286 -6.098 -5.350 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -13.437 -6.466 -5.088 1.00 0.00 O ATOM 0 H GLU A 71 -10.313 -2.649 -8.473 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.363 -1.733 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.279 -3.959 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.912 -4.404 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.711 -3.644 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.798 -4.242 -6.183 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.427 -2.525 -5.417 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.593 -2.372 -4.233 1.00 0.00 C ATOM 1165 C ALA A 72 -7.916 -1.002 -4.200 1.00 0.00 C ATOM 1166 O ALA A 72 -7.072 -0.740 -3.343 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.550 -3.479 -4.179 1.00 0.00 C ATOM 0 H ALA A 72 -8.960 -2.969 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.237 -2.446 -3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.932 -3.354 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.049 -4.447 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.921 -3.430 -5.068 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.286 -0.130 -5.136 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.698 1.194 -5.186 1.00 0.00 C ATOM 1175 C GLY A 73 -8.495 2.221 -4.407 1.00 0.00 C ATOM 1176 O GLY A 73 -7.949 2.924 -3.556 1.00 0.00 O ATOM 0 H GLY A 73 -8.981 -0.319 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.684 1.151 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.621 1.513 -6.225 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.788 2.317 -4.699 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.650 3.275 -4.018 1.00 0.00 C ATOM 1182 C ALA A 74 -12.107 2.822 -4.024 1.00 0.00 C ATOM 1183 O ALA A 74 -13.023 3.644 -3.988 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.521 4.645 -4.666 1.00 0.00 C ATOM 0 H ALA A 74 -10.260 1.746 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.327 3.337 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.169 5.354 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.487 4.983 -4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.815 4.581 -5.714 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.318 1.510 -4.065 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.666 0.955 -4.071 1.00 0.00 C ATOM 1192 C LYS A 75 -14.190 0.798 -2.642 1.00 0.00 C ATOM 1193 O LYS A 75 -13.804 1.554 -1.752 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.675 -0.390 -4.804 1.00 0.00 C ATOM 1195 CG LYS A 75 -14.940 -0.637 -5.611 1.00 0.00 C ATOM 1196 CD LYS A 75 -14.733 -0.328 -7.086 1.00 0.00 C ATOM 1197 CE LYS A 75 -14.860 -1.577 -7.945 1.00 0.00 C ATOM 1198 NZ LYS A 75 -15.094 -1.245 -9.378 1.00 0.00 N ATOM 0 H LYS A 75 -11.574 0.813 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.327 1.643 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.814 -0.436 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.557 -1.192 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.248 -1.676 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.748 -0.020 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.465 0.412 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.747 0.115 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.952 -2.174 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.682 -2.190 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.175 -2.123 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.974 -0.697 -9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.297 -0.682 -9.739 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.075 -0.181 -2.429 1.00 0.00 N ATOM 1213 CA ILE A 76 -15.658 -0.435 -1.110 1.00 0.00 C ATOM 1214 C ILE A 76 -14.643 -0.207 0.015 1.00 0.00 C ATOM 1215 O ILE A 76 -14.605 0.869 0.612 1.00 0.00 O ATOM 1216 CB ILE A 76 -16.228 -1.869 -1.002 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -15.434 -2.841 -1.895 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -17.709 -1.877 -1.368 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -16.061 -3.102 -3.251 1.00 0.00 C ATOM 0 H ILE A 76 -15.404 -0.813 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 76 -16.474 0.278 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 76 -16.127 -2.206 0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.431 -2.441 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -15.325 -3.790 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.098 -2.892 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -18.256 -1.224 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -17.833 -1.520 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -15.437 -3.796 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.053 -3.533 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.145 -2.164 -3.800 1.00 0.00 H new ATOM 1231 N ASN A 77 -13.818 -1.214 0.298 1.00 0.00 N ATOM 1232 CA ASN A 77 -12.807 -1.102 1.348 1.00 0.00 C ATOM 1233 C ASN A 77 -12.088 -2.430 1.566 1.00 0.00 C ATOM 1234 O ASN A 77 -12.379 -3.424 0.899 1.00 0.00 O ATOM 1235 CB ASN A 77 -13.442 -0.633 2.661 1.00 0.00 C ATOM 1236 CG ASN A 77 -12.731 0.572 3.246 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -12.530 1.579 2.566 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -12.344 0.474 4.512 1.00 0.00 N ATOM 0 H ASN A 77 -13.829 -2.113 -0.183 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.075 -0.363 1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.489 -0.385 2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.423 -1.449 3.383 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.859 1.252 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.531 -0.380 5.038 1.00 0.00 H new ATOM 1245 N HIS A 78 -11.146 -2.436 2.504 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.380 -3.636 2.818 1.00 0.00 C ATOM 1247 C HIS A 78 -10.733 -4.156 4.209 1.00 0.00 C ATOM 1248 O HIS A 78 -9.913 -4.113 5.126 1.00 0.00 O ATOM 1249 CB HIS A 78 -8.879 -3.345 2.737 1.00 0.00 C ATOM 1250 CG HIS A 78 -8.333 -3.375 1.344 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -7.007 -3.628 1.062 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -8.939 -3.180 0.149 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -6.821 -3.585 -0.245 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -7.978 -3.316 -0.821 1.00 0.00 N ATOM 0 H HIS A 78 -10.895 -1.620 3.061 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.635 -4.402 2.086 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -8.684 -2.365 3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.343 -4.076 3.343 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -6.283 -3.819 1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.984 -2.959 -0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -5.882 -3.743 -0.755 1.00 0.00 H new ATOM 1263 N THR A 79 -11.959 -4.645 4.360 1.00 0.00 N ATOM 1264 CA THR A 79 -12.417 -5.170 5.641 1.00 0.00 C ATOM 1265 C THR A 79 -12.215 -6.679 5.716 1.00 0.00 C ATOM 1266 O THR A 79 -11.395 -7.169 6.494 1.00 0.00 O ATOM 1267 CB THR A 79 -13.893 -4.831 5.856 1.00 0.00 C ATOM 1268 OG1 THR A 79 -14.123 -3.448 5.653 1.00 0.00 O ATOM 1269 CG2 THR A 79 -14.393 -5.182 7.241 1.00 0.00 C ATOM 0 H THR A 79 -12.652 -4.689 3.613 1.00 0.00 H new ATOM 0 HA THR A 79 -11.825 -4.703 6.428 1.00 0.00 H new ATOM 0 HB THR A 79 -14.437 -5.433 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.073 -3.250 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 79 -15.447 -4.916 7.326 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.275 -6.252 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.818 -4.631 7.986 1.00 0.00 H new ATOM 1277 N THR A 80 -12.965 -7.413 4.902 1.00 0.00 N ATOM 1278 CA THR A 80 -12.867 -8.867 4.876 1.00 0.00 C ATOM 1279 C THR A 80 -11.528 -9.311 4.296 1.00 0.00 C ATOM 1280 O THR A 80 -10.796 -10.080 4.919 1.00 0.00 O ATOM 1281 CB THR A 80 -14.013 -9.461 4.055 1.00 0.00 C ATOM 1282 OG1 THR A 80 -14.400 -8.575 3.019 1.00 0.00 O ATOM 1283 CG2 THR A 80 -15.244 -9.767 4.880 1.00 0.00 C ATOM 0 H THR A 80 -13.648 -7.025 4.251 1.00 0.00 H new ATOM 0 HA THR A 80 -12.937 -9.230 5.901 1.00 0.00 H new ATOM 0 HB THR A 80 -13.624 -10.396 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 80 -15.133 -8.974 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 80 -16.018 -10.185 4.237 1.00 0.00 H new ATOM 0 HG22 THR A 80 -14.991 -10.487 5.658 1.00 0.00 H new ATOM 0 HG23 THR A 80 -15.611 -8.849 5.340 1.00 0.00 H new ATOM 1291 N LEU A 81 -11.214 -8.823 3.100 1.00 0.00 N ATOM 1292 CA LEU A 81 -9.964 -9.171 2.435 1.00 0.00 C ATOM 1293 C LEU A 81 -9.890 -10.670 2.157 1.00 0.00 C ATOM 1294 O LEU A 81 -8.803 -11.235 2.029 1.00 0.00 O ATOM 1295 CB LEU A 81 -8.769 -8.740 3.289 1.00 0.00 C ATOM 1296 CG LEU A 81 -8.218 -7.348 2.975 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -7.042 -7.024 3.881 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -7.811 -7.256 1.513 1.00 0.00 C ATOM 0 H LEU A 81 -11.809 -8.185 2.571 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.932 -8.642 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.062 -8.770 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.968 -9.469 3.161 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.003 -6.615 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.663 -6.030 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.366 -7.050 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.252 -7.760 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.421 -6.259 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.041 -7.998 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.679 -7.445 0.881 1.00 0.00 H new ATOM 1310 N LYS A 82 -11.053 -11.309 2.066 1.00 0.00 N ATOM 1311 CA LYS A 82 -11.118 -12.741 1.802 1.00 0.00 C ATOM 1312 C LYS A 82 -10.566 -13.062 0.417 1.00 0.00 C ATOM 1313 O LYS A 82 -9.786 -14.000 0.251 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.560 -13.237 1.920 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.671 -14.721 2.237 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.686 -14.986 3.339 1.00 0.00 C ATOM 1317 CE LYS A 82 -15.014 -15.461 2.771 1.00 0.00 C ATOM 1318 NZ LYS A 82 -15.135 -16.945 2.805 1.00 0.00 N ATOM 0 H LYS A 82 -11.962 -10.857 2.171 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.505 -13.252 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.068 -12.669 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.083 -13.034 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.960 -15.265 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.696 -15.102 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.293 -15.737 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.842 -14.076 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.831 -15.017 3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.115 -15.112 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.054 -17.228 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.370 -17.369 2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.065 -17.277 3.788 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.973 -12.274 -0.573 1.00 0.00 N ATOM 1333 CA ILE A 83 -10.514 -12.472 -1.942 1.00 0.00 C ATOM 1334 C ILE A 83 -8.993 -12.432 -2.019 1.00 0.00 C ATOM 1335 O ILE A 83 -8.380 -13.181 -2.779 1.00 0.00 O ATOM 1336 CB ILE A 83 -11.096 -11.407 -2.890 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -10.726 -10.004 -2.404 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -12.606 -11.557 -2.993 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -9.500 -9.433 -3.083 1.00 0.00 C ATOM 0 H ILE A 83 -11.619 -11.494 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.866 -13.455 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.668 -11.552 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.570 -9.335 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.554 -10.034 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -13.002 -10.797 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.848 -12.547 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -13.052 -11.435 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.297 -8.437 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.644 -10.080 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.675 -9.370 -4.157 1.00 0.00 H new ATOM 1351 N LEU A 84 -8.388 -11.558 -1.221 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.936 -11.428 -1.197 1.00 0.00 C ATOM 1353 C LEU A 84 -6.296 -12.702 -0.657 1.00 0.00 C ATOM 1354 O LEU A 84 -5.197 -13.078 -1.065 1.00 0.00 O ATOM 1355 CB LEU A 84 -6.520 -10.229 -0.342 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.010 -10.047 -0.172 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -4.643 -8.571 -0.179 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -4.539 -10.710 1.114 1.00 0.00 C ATOM 0 H LEU A 84 -8.879 -10.931 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.590 -11.267 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.932 -9.324 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.972 -10.332 0.645 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.508 -10.526 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.565 -8.463 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.947 -8.125 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.153 -8.065 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.463 -10.572 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.049 -10.258 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.767 -11.775 1.079 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.993 -13.367 0.261 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.494 -14.603 0.852 1.00 0.00 C ATOM 1372 C GLU A 85 -6.546 -15.744 -0.159 1.00 0.00 C ATOM 1373 O GLU A 85 -5.732 -16.665 -0.114 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.309 -14.967 2.095 1.00 0.00 C ATOM 1375 CG GLU A 85 -6.824 -16.229 2.792 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.552 -16.490 4.096 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -8.654 -15.934 4.284 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -7.019 -17.253 4.931 1.00 0.00 O ATOM 0 H GLU A 85 -7.904 -13.070 0.611 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.456 -14.445 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.273 -14.136 2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.353 -15.098 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.960 -17.082 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.755 -16.144 2.987 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.510 -15.674 -1.075 1.00 0.00 N ATOM 1386 CA GLY A 86 -7.647 -16.705 -2.086 1.00 0.00 C ATOM 1387 C GLY A 86 -6.841 -16.400 -3.333 1.00 0.00 C ATOM 1388 O GLY A 86 -6.402 -17.311 -4.036 1.00 0.00 O ATOM 0 H GLY A 86 -8.197 -14.922 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.325 -17.661 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.698 -16.811 -2.353 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.644 -15.115 -3.606 1.00 0.00 N ATOM 1393 CA HIS A 87 -5.883 -14.685 -4.773 1.00 0.00 C ATOM 1394 C HIS A 87 -4.386 -14.682 -4.467 1.00 0.00 C ATOM 1395 O HIS A 87 -3.563 -14.959 -5.340 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.357 -13.293 -5.224 1.00 0.00 C ATOM 1397 CG HIS A 87 -5.252 -12.351 -5.607 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -4.342 -12.622 -6.608 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -4.914 -11.135 -5.114 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -3.491 -11.616 -6.712 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -3.818 -10.702 -5.818 1.00 0.00 N ATOM 0 H HIS A 87 -7.002 -14.351 -3.033 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.055 -15.389 -5.587 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.028 -13.410 -6.075 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.938 -12.843 -4.419 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -4.328 -13.467 -7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.414 -10.605 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.669 -11.553 -7.409 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.044 -14.366 -3.223 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.647 -14.326 -2.800 1.00 0.00 C ATOM 1412 C LEU A 88 -2.375 -15.369 -1.722 1.00 0.00 C ATOM 1413 O LEU A 88 -1.216 -15.459 -1.265 1.00 0.00 O ATOM 1414 CB LEU A 88 -2.293 -12.932 -2.280 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.162 -11.852 -3.357 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -2.719 -10.528 -2.857 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -0.708 -11.695 -3.778 1.00 0.00 C ATOM 1418 OXT LEU A 88 -3.323 -16.089 -1.343 1.00 0.00 O ATOM 0 H LEU A 88 -4.714 -14.134 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.023 -14.554 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.057 -12.622 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.353 -12.993 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.742 -12.161 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.617 -9.773 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.772 -10.649 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.167 -10.212 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.632 -10.923 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.108 -11.409 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.341 -12.640 -4.178 1.00 0.00 H new