USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 466 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 1 GLY N :NH3+ -170:sc= -0.172 (180deg=-0.273) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.0564 (180deg=-0.468) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -1.64 F(o=-3.1!,f=-1.6) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.0639 (180deg=-0.534) USER MOD Single : A 14 ASN : amide:sc= -0.304 K(o=-0.3,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 132:sc= -0.172 (180deg=-1.08) USER MOD Single : A 18 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.34! C(o=-1.3!,f=-8!) USER MOD Single : A 29 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-3.9!) USER MOD Single : A 31 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.107 (180deg=-0.646) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 132:sc= -0.0539 (180deg=-0.751) USER MOD Single : A 48 GLN : amide:sc= -0.0494 K(o=-0.049,f=-1.6!) USER MOD Single : A 50 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.069 -4.739 -45.422 1.00 0.00 N ATOM 2 CA GLY A 1 20.934 -5.291 -46.800 1.00 0.00 C ATOM 3 C GLY A 1 19.494 -5.733 -47.033 1.00 0.00 C ATOM 4 O GLY A 1 19.098 -6.020 -48.164 1.00 0.00 O ATOM 0 H1 GLY A 1 21.999 -4.285 -45.320 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.320 -4.037 -45.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.982 -5.510 -44.729 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.217 -4.537 -47.534 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.611 -6.135 -46.933 1.00 0.00 H new ATOM 10 N SER A 2 18.714 -5.785 -45.956 1.00 0.00 N ATOM 11 CA SER A 2 17.313 -6.193 -46.049 1.00 0.00 C ATOM 12 C SER A 2 16.491 -5.534 -44.947 1.00 0.00 C ATOM 13 O SER A 2 16.989 -5.291 -43.848 1.00 0.00 O ATOM 14 CB SER A 2 17.201 -7.713 -45.931 1.00 0.00 C ATOM 15 OG SER A 2 15.834 -8.091 -46.030 1.00 0.00 O ATOM 0 H SER A 2 19.025 -5.551 -45.013 1.00 0.00 H new ATOM 0 HA SER A 2 16.925 -5.876 -47.017 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.782 -8.194 -46.718 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.615 -8.047 -44.980 1.00 0.00 H new ATOM 0 HG SER A 2 15.758 -9.065 -45.957 1.00 0.00 H new ATOM 21 N LYS A 3 15.229 -5.248 -45.250 1.00 0.00 N ATOM 22 CA LYS A 3 14.344 -4.617 -44.280 1.00 0.00 C ATOM 23 C LYS A 3 14.160 -5.512 -43.058 1.00 0.00 C ATOM 24 O LYS A 3 14.109 -5.032 -41.927 1.00 0.00 O ATOM 25 CB LYS A 3 12.983 -4.338 -44.919 1.00 0.00 C ATOM 26 CG LYS A 3 13.124 -3.222 -45.957 1.00 0.00 C ATOM 27 CD LYS A 3 11.762 -2.943 -46.595 1.00 0.00 C ATOM 28 CE LYS A 3 11.891 -1.786 -47.588 1.00 0.00 C ATOM 29 NZ LYS A 3 12.824 -2.172 -48.684 1.00 0.00 N1+ ATOM 0 H LYS A 3 14.799 -5.442 -46.154 1.00 0.00 H new ATOM 0 HA LYS A 3 14.796 -3.677 -43.963 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.599 -5.242 -45.392 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.263 -4.048 -44.154 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.508 -2.318 -45.485 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.844 -3.512 -46.723 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.398 -3.835 -47.105 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.032 -2.695 -45.825 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.913 -1.536 -48.000 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.260 -0.896 -47.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.685 -1.539 -49.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.805 -2.094 -48.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.634 -3.153 -48.972 1.00 0.00 H new ATOM 43 N THR A 4 14.056 -6.816 -43.295 1.00 0.00 N ATOM 44 CA THR A 4 13.873 -7.769 -42.206 1.00 0.00 C ATOM 45 C THR A 4 15.050 -7.717 -41.237 1.00 0.00 C ATOM 46 O THR A 4 14.863 -7.704 -40.021 1.00 0.00 O ATOM 47 CB THR A 4 13.737 -9.185 -42.771 1.00 0.00 C ATOM 48 OG1 THR A 4 12.596 -9.247 -43.616 1.00 0.00 O ATOM 49 CG2 THR A 4 13.578 -10.181 -41.621 1.00 0.00 C ATOM 0 H THR A 4 14.095 -7.235 -44.224 1.00 0.00 H new ATOM 0 HA THR A 4 12.965 -7.502 -41.666 1.00 0.00 H new ATOM 0 HB THR A 4 14.629 -9.436 -43.345 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.508 -10.152 -43.980 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.481 -11.189 -42.024 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.453 -10.131 -40.973 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.686 -9.933 -41.046 1.00 0.00 H new ATOM 57 N ILE A 5 16.264 -7.688 -41.781 1.00 0.00 N ATOM 58 CA ILE A 5 17.459 -7.640 -40.946 1.00 0.00 C ATOM 59 C ILE A 5 17.464 -6.368 -40.099 1.00 0.00 C ATOM 60 O ILE A 5 17.758 -6.408 -38.905 1.00 0.00 O ATOM 61 CB ILE A 5 18.716 -7.687 -41.824 1.00 0.00 C ATOM 62 CG1 ILE A 5 18.822 -9.068 -42.480 1.00 0.00 C ATOM 63 CG2 ILE A 5 19.961 -7.440 -40.964 1.00 0.00 C ATOM 64 CD1 ILE A 5 19.918 -9.053 -43.550 1.00 0.00 C ATOM 0 H ILE A 5 16.445 -7.697 -42.785 1.00 0.00 H new ATOM 0 HA ILE A 5 17.455 -8.504 -40.282 1.00 0.00 H new ATOM 0 HB ILE A 5 18.649 -6.915 -42.591 1.00 0.00 H new ATOM 0 HG12 ILE A 5 19.048 -9.822 -41.726 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.867 -9.342 -42.929 1.00 0.00 H new ATOM 0 HG21 ILE A 5 20.850 -7.475 -41.593 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.888 -6.460 -40.492 1.00 0.00 H new ATOM 0 HG23 ILE A 5 20.030 -8.209 -40.195 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.988 -10.037 -44.013 1.00 0.00 H new ATOM 0 HD12 ILE A 5 19.674 -8.311 -44.311 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.873 -8.799 -43.089 1.00 0.00 H new ATOM 76 N GLN A 6 17.140 -5.241 -40.728 1.00 0.00 N ATOM 77 CA GLN A 6 17.114 -3.966 -40.021 1.00 0.00 C ATOM 78 C GLN A 6 16.084 -3.996 -38.896 1.00 0.00 C ATOM 79 O GLN A 6 16.337 -3.505 -37.796 1.00 0.00 O ATOM 80 CB GLN A 6 16.778 -2.836 -40.997 1.00 0.00 C ATOM 81 CG GLN A 6 16.854 -1.490 -40.273 1.00 0.00 C ATOM 82 CD GLN A 6 16.605 -0.354 -41.258 1.00 0.00 C ATOM 83 OE1 GLN A 6 16.444 -0.592 -42.454 1.00 0.00 O ATOM 84 NE2 GLN A 6 16.564 0.876 -40.824 1.00 0.00 N ATOM 0 H GLN A 6 16.894 -5.185 -41.716 1.00 0.00 H new ATOM 0 HA GLN A 6 18.099 -3.791 -39.588 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.474 -2.848 -41.836 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.779 -2.983 -41.409 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.116 -1.456 -39.472 1.00 0.00 H new ATOM 0 HG3 GLN A 6 17.833 -1.372 -39.809 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.698 1.071 -39.832 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.398 1.642 -41.477 1.00 0.00 H new ATOM 93 N GLU A 7 14.924 -4.583 -39.176 1.00 0.00 N ATOM 94 CA GLU A 7 13.867 -4.677 -38.171 1.00 0.00 C ATOM 95 C GLU A 7 14.321 -5.538 -36.998 1.00 0.00 C ATOM 96 O GLU A 7 14.031 -5.231 -35.841 1.00 0.00 O ATOM 97 CB GLU A 7 12.592 -5.266 -38.783 1.00 0.00 C ATOM 98 CG GLU A 7 11.951 -4.254 -39.740 1.00 0.00 C ATOM 99 CD GLU A 7 11.377 -3.083 -38.950 1.00 0.00 C ATOM 100 OE1 GLU A 7 11.223 -3.223 -37.748 1.00 0.00 O ATOM 101 OE2 GLU A 7 11.100 -2.063 -39.559 1.00 0.00 O1- ATOM 0 H GLU A 7 14.692 -4.997 -40.079 1.00 0.00 H new ATOM 0 HA GLU A 7 13.652 -3.671 -37.810 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.828 -6.186 -39.318 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.888 -5.528 -37.993 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.693 -3.894 -40.453 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.162 -4.736 -40.317 1.00 0.00 H new ATOM 108 N LYS A 8 15.034 -6.618 -37.303 1.00 0.00 N ATOM 109 CA LYS A 8 15.522 -7.516 -36.264 1.00 0.00 C ATOM 110 C LYS A 8 16.455 -6.776 -35.310 1.00 0.00 C ATOM 111 O LYS A 8 16.360 -6.927 -34.092 1.00 0.00 O ATOM 112 CB LYS A 8 16.267 -8.693 -36.898 1.00 0.00 C ATOM 113 CG LYS A 8 16.760 -9.635 -35.795 1.00 0.00 C ATOM 114 CD LYS A 8 17.268 -10.950 -36.403 1.00 0.00 C ATOM 115 CE LYS A 8 18.589 -10.720 -37.145 1.00 0.00 C ATOM 116 NZ LYS A 8 19.154 -12.032 -37.567 1.00 0.00 N1+ ATOM 0 H LYS A 8 15.285 -6.890 -38.253 1.00 0.00 H new ATOM 0 HA LYS A 8 14.666 -7.888 -35.701 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.609 -9.229 -37.582 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.110 -8.330 -37.486 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.559 -9.156 -35.229 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.951 -9.840 -35.094 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.410 -11.691 -35.616 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.523 -11.352 -37.090 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.424 -10.086 -38.016 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.295 -10.198 -36.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.051 -11.878 -38.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.325 -12.622 -36.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.481 -12.513 -38.197 1.00 0.00 H new ATOM 130 N GLU A 9 17.351 -5.970 -35.872 1.00 0.00 N ATOM 131 CA GLU A 9 18.291 -5.205 -35.058 1.00 0.00 C ATOM 132 C GLU A 9 17.546 -4.206 -34.178 1.00 0.00 C ATOM 133 O GLU A 9 17.904 -4.000 -33.018 1.00 0.00 O ATOM 134 CB GLU A 9 19.292 -4.461 -35.949 1.00 0.00 C ATOM 135 CG GLU A 9 20.272 -5.457 -36.580 1.00 0.00 C ATOM 136 CD GLU A 9 21.135 -4.749 -37.617 1.00 0.00 C ATOM 137 OE1 GLU A 9 20.791 -3.639 -37.988 1.00 0.00 O ATOM 138 OE2 GLU A 9 22.129 -5.327 -38.027 1.00 0.00 O1- ATOM 0 H GLU A 9 17.446 -5.830 -36.878 1.00 0.00 H new ATOM 0 HA GLU A 9 18.834 -5.903 -34.421 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.762 -3.916 -36.730 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.838 -3.724 -35.360 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.903 -5.898 -35.808 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.723 -6.274 -37.048 1.00 0.00 H new ATOM 145 N GLN A 10 16.511 -3.590 -34.737 1.00 0.00 N ATOM 146 CA GLN A 10 15.723 -2.614 -33.992 1.00 0.00 C ATOM 147 C GLN A 10 15.059 -3.273 -32.787 1.00 0.00 C ATOM 148 O GLN A 10 15.003 -2.694 -31.702 1.00 0.00 O ATOM 149 CB GLN A 10 14.650 -2.007 -34.904 1.00 0.00 C ATOM 150 CG GLN A 10 13.918 -0.871 -34.179 1.00 0.00 C ATOM 151 CD GLN A 10 14.884 0.264 -33.857 1.00 0.00 C ATOM 152 OE1 GLN A 10 15.016 0.667 -32.623 1.00 0.00 O flip ATOM 153 NE2 GLN A 10 15.538 0.798 -34.754 1.00 0.00 N flip ATOM 0 H GLN A 10 16.199 -3.747 -35.695 1.00 0.00 H new ATOM 0 HA GLN A 10 16.388 -1.826 -33.639 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.110 -1.628 -35.817 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.938 -2.777 -35.202 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.104 -0.499 -34.801 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.470 -1.247 -33.259 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.434 0.482 -35.718 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.184 1.556 -34.532 1.00 0.00 H new ATOM 162 N GLU A 11 14.558 -4.488 -32.985 1.00 0.00 N ATOM 163 CA GLU A 11 13.902 -5.219 -31.906 1.00 0.00 C ATOM 164 C GLU A 11 14.885 -5.473 -30.768 1.00 0.00 C ATOM 165 O GLU A 11 14.542 -5.330 -29.594 1.00 0.00 O ATOM 166 CB GLU A 11 13.358 -6.552 -32.439 1.00 0.00 C ATOM 167 CG GLU A 11 12.632 -7.317 -31.325 1.00 0.00 C ATOM 168 CD GLU A 11 11.427 -6.519 -30.838 1.00 0.00 C ATOM 169 OE1 GLU A 11 10.968 -5.664 -31.578 1.00 0.00 O ATOM 170 OE2 GLU A 11 10.979 -6.775 -29.732 1.00 0.00 O1- ATOM 0 H GLU A 11 14.593 -4.984 -33.875 1.00 0.00 H new ATOM 0 HA GLU A 11 13.074 -4.621 -31.525 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.674 -6.368 -33.268 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.177 -7.156 -32.830 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.308 -8.290 -31.694 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.315 -7.501 -30.496 1.00 0.00 H new ATOM 177 N LEU A 12 16.110 -5.847 -31.124 1.00 0.00 N ATOM 178 CA LEU A 12 17.139 -6.113 -30.122 1.00 0.00 C ATOM 179 C LEU A 12 17.458 -4.845 -29.337 1.00 0.00 C ATOM 180 O LEU A 12 17.659 -4.890 -28.124 1.00 0.00 O ATOM 181 CB LEU A 12 18.416 -6.638 -30.790 1.00 0.00 C ATOM 182 CG LEU A 12 18.201 -8.065 -31.328 1.00 0.00 C ATOM 183 CD1 LEU A 12 19.405 -8.455 -32.193 1.00 0.00 C ATOM 184 CD2 LEU A 12 18.056 -9.068 -30.162 1.00 0.00 C ATOM 0 H LEU A 12 16.414 -5.972 -32.090 1.00 0.00 H new ATOM 0 HA LEU A 12 16.758 -6.871 -29.437 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.704 -5.976 -31.606 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.236 -6.634 -30.072 1.00 0.00 H new ATOM 0 HG LEU A 12 17.287 -8.090 -31.922 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.264 -9.464 -32.580 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.496 -7.757 -33.025 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.312 -8.421 -31.590 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.905 -10.071 -30.561 1.00 0.00 H new ATOM 0 HD22 LEU A 12 18.960 -9.052 -29.554 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.200 -8.790 -29.547 1.00 0.00 H new ATOM 196 N LYS A 13 17.499 -3.716 -30.037 1.00 0.00 N ATOM 197 CA LYS A 13 17.791 -2.440 -29.390 1.00 0.00 C ATOM 198 C LYS A 13 16.590 -1.964 -28.580 1.00 0.00 C ATOM 199 O LYS A 13 15.443 -2.166 -28.976 1.00 0.00 O ATOM 200 CB LYS A 13 18.158 -1.384 -30.437 1.00 0.00 C ATOM 201 CG LYS A 13 19.510 -1.728 -31.071 1.00 0.00 C ATOM 202 CD LYS A 13 19.868 -0.667 -32.113 1.00 0.00 C ATOM 203 CE LYS A 13 21.205 -1.023 -32.767 1.00 0.00 C ATOM 204 NZ LYS A 13 22.281 -1.009 -31.735 1.00 0.00 N1+ ATOM 0 H LYS A 13 17.336 -3.657 -31.042 1.00 0.00 H new ATOM 0 HA LYS A 13 18.636 -2.584 -28.717 1.00 0.00 H new ATOM 0 HB2 LYS A 13 17.387 -1.338 -31.206 1.00 0.00 H new ATOM 0 HB3 LYS A 13 18.204 -0.399 -29.972 1.00 0.00 H new ATOM 0 HG2 LYS A 13 20.283 -1.775 -30.303 1.00 0.00 H new ATOM 0 HG3 LYS A 13 19.465 -2.712 -31.538 1.00 0.00 H new ATOM 0 HD2 LYS A 13 19.086 -0.607 -32.870 1.00 0.00 H new ATOM 0 HD3 LYS A 13 19.932 0.314 -31.642 1.00 0.00 H new ATOM 0 HE2 LYS A 13 21.144 -2.007 -33.232 1.00 0.00 H new ATOM 0 HE3 LYS A 13 21.436 -0.310 -33.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 23.206 -0.911 -32.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 22.132 -0.208 -31.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 22.257 -1.898 -31.196 1.00 0.00 H new ATOM 218 N ASN A 14 16.864 -1.331 -27.440 1.00 0.00 N ATOM 219 CA ASN A 14 15.801 -0.825 -26.571 1.00 0.00 C ATOM 220 C ASN A 14 15.505 0.640 -26.882 1.00 0.00 C ATOM 221 O ASN A 14 14.808 1.316 -26.127 1.00 0.00 O ATOM 222 CB ASN A 14 16.223 -0.963 -25.104 1.00 0.00 C ATOM 223 CG ASN A 14 15.002 -0.869 -24.193 1.00 0.00 C ATOM 224 OD1 ASN A 14 13.920 -1.335 -24.553 1.00 0.00 O ATOM 225 ND2 ASN A 14 15.111 -0.293 -23.027 1.00 0.00 N ATOM 0 H ASN A 14 17.809 -1.157 -27.097 1.00 0.00 H new ATOM 0 HA ASN A 14 14.899 -1.410 -26.749 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.727 -1.917 -24.951 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.938 -0.181 -24.848 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.300 -0.228 -22.412 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.008 0.092 -22.730 1.00 0.00 H new ATOM 232 N LEU A 15 16.041 1.123 -28.003 1.00 0.00 N ATOM 233 CA LEU A 15 15.834 2.513 -28.418 1.00 0.00 C ATOM 234 C LEU A 15 14.783 2.580 -29.522 1.00 0.00 C ATOM 235 O LEU A 15 14.932 1.957 -30.573 1.00 0.00 O ATOM 236 CB LEU A 15 17.161 3.101 -28.919 1.00 0.00 C ATOM 237 CG LEU A 15 16.968 4.549 -29.398 1.00 0.00 C ATOM 238 CD1 LEU A 15 16.457 5.427 -28.244 1.00 0.00 C ATOM 239 CD2 LEU A 15 18.315 5.087 -29.893 1.00 0.00 C ATOM 0 H LEU A 15 16.620 0.575 -28.639 1.00 0.00 H new ATOM 0 HA LEU A 15 15.482 3.093 -27.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.902 3.073 -28.120 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.549 2.492 -29.735 1.00 0.00 H new ATOM 0 HG LEU A 15 16.235 4.571 -30.204 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.324 6.450 -28.596 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.503 5.040 -27.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.181 5.415 -27.429 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.193 6.114 -30.236 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.039 5.060 -29.079 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.673 4.470 -30.717 1.00 0.00 H new ATOM 251 N LYS A 16 13.719 3.344 -29.276 1.00 0.00 N ATOM 252 CA LYS A 16 12.635 3.495 -30.252 1.00 0.00 C ATOM 253 C LYS A 16 12.340 4.974 -30.482 1.00 0.00 C ATOM 254 O LYS A 16 12.494 5.796 -29.577 1.00 0.00 O ATOM 255 CB LYS A 16 11.368 2.804 -29.735 1.00 0.00 C ATOM 256 CG LYS A 16 11.641 1.322 -29.435 1.00 0.00 C ATOM 257 CD LYS A 16 11.851 0.535 -30.735 1.00 0.00 C ATOM 258 CE LYS A 16 11.848 -0.963 -30.423 1.00 0.00 C ATOM 259 NZ LYS A 16 10.519 -1.354 -29.874 1.00 0.00 N1+ ATOM 0 H LYS A 16 13.583 3.868 -28.412 1.00 0.00 H new ATOM 0 HA LYS A 16 12.944 3.037 -31.191 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.018 3.304 -28.832 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.573 2.890 -30.476 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.524 1.231 -28.802 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.805 0.898 -28.879 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.062 0.771 -31.449 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.796 0.820 -31.198 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.062 -1.534 -31.327 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.633 -1.197 -29.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.178 -2.205 -30.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.608 -1.552 -28.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.842 -0.577 -30.017 1.00 0.00 H new ATOM 273 N ASP A 17 11.917 5.306 -31.696 1.00 0.00 N ATOM 274 CA ASP A 17 11.603 6.690 -32.033 1.00 0.00 C ATOM 275 C ASP A 17 10.444 7.198 -31.181 1.00 0.00 C ATOM 276 O ASP A 17 9.512 6.454 -30.876 1.00 0.00 O ATOM 277 CB ASP A 17 11.234 6.796 -33.514 1.00 0.00 C ATOM 278 CG ASP A 17 12.477 6.610 -34.378 1.00 0.00 C ATOM 279 OD1 ASP A 17 13.566 6.655 -33.830 1.00 0.00 O ATOM 280 OD2 ASP A 17 12.321 6.423 -35.573 1.00 0.00 O1- ATOM 0 H ASP A 17 11.784 4.642 -32.459 1.00 0.00 H new ATOM 0 HA ASP A 17 12.483 7.302 -31.833 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.490 6.041 -33.766 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.783 7.768 -33.716 1.00 0.00 H new ATOM 285 N ASN A 18 10.511 8.469 -30.799 1.00 0.00 N ATOM 286 CA ASN A 18 9.461 9.066 -29.981 1.00 0.00 C ATOM 287 C ASN A 18 8.124 9.030 -30.713 1.00 0.00 C ATOM 288 O ASN A 18 7.086 8.749 -30.116 1.00 0.00 O ATOM 289 CB ASN A 18 9.822 10.515 -29.644 1.00 0.00 C ATOM 290 CG ASN A 18 8.864 11.059 -28.590 1.00 0.00 C ATOM 291 OD1 ASN A 18 8.424 10.320 -27.708 1.00 0.00 O ATOM 292 ND2 ASN A 18 8.511 12.315 -28.628 1.00 0.00 N ATOM 0 H ASN A 18 11.274 9.101 -31.040 1.00 0.00 H new ATOM 0 HA ASN A 18 9.373 8.490 -29.060 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.847 10.567 -29.277 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.773 11.129 -30.543 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.870 12.686 -27.927 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.876 12.926 -29.359 1.00 0.00 H new ATOM 299 N VAL A 19 8.158 9.315 -32.011 1.00 0.00 N ATOM 300 CA VAL A 19 6.943 9.312 -32.817 1.00 0.00 C ATOM 301 C VAL A 19 6.316 7.919 -32.823 1.00 0.00 C ATOM 302 O VAL A 19 5.105 7.771 -32.663 1.00 0.00 O ATOM 303 CB VAL A 19 7.268 9.746 -34.250 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.046 9.541 -35.150 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.658 11.226 -34.255 1.00 0.00 C ATOM 0 H VAL A 19 9.008 9.549 -32.524 1.00 0.00 H new ATOM 0 HA VAL A 19 6.231 10.015 -32.384 1.00 0.00 H new ATOM 0 HB VAL A 19 8.095 9.144 -34.627 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.287 9.852 -36.167 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.766 8.487 -35.150 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.214 10.137 -34.775 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.890 11.538 -35.273 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.829 11.822 -33.873 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.533 11.374 -33.622 1.00 0.00 H new ATOM 315 N GLU A 20 7.150 6.901 -33.010 1.00 0.00 N ATOM 316 CA GLU A 20 6.669 5.525 -33.037 1.00 0.00 C ATOM 317 C GLU A 20 6.033 5.158 -31.698 1.00 0.00 C ATOM 318 O GLU A 20 4.993 4.501 -31.655 1.00 0.00 O ATOM 319 CB GLU A 20 7.832 4.574 -33.336 1.00 0.00 C ATOM 320 CG GLU A 20 7.314 3.134 -33.428 1.00 0.00 C ATOM 321 CD GLU A 20 8.456 2.194 -33.796 1.00 0.00 C ATOM 322 OE1 GLU A 20 9.565 2.676 -33.959 1.00 0.00 O ATOM 323 OE2 GLU A 20 8.205 1.006 -33.911 1.00 0.00 O1- ATOM 0 H GLU A 20 8.156 7.002 -33.144 1.00 0.00 H new ATOM 0 HA GLU A 20 5.917 5.433 -33.820 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.314 4.857 -34.272 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.586 4.650 -32.553 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.877 2.834 -32.476 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.523 3.070 -34.176 1.00 0.00 H new ATOM 330 N LEU A 21 6.667 5.586 -30.612 1.00 0.00 N ATOM 331 CA LEU A 21 6.156 5.294 -29.277 1.00 0.00 C ATOM 332 C LEU A 21 4.768 5.901 -29.095 1.00 0.00 C ATOM 333 O LEU A 21 3.867 5.258 -28.555 1.00 0.00 O ATOM 334 CB LEU A 21 7.119 5.857 -28.223 1.00 0.00 C ATOM 335 CG LEU A 21 6.597 5.574 -26.804 1.00 0.00 C ATOM 336 CD1 LEU A 21 6.469 4.058 -26.577 1.00 0.00 C ATOM 337 CD2 LEU A 21 7.583 6.163 -25.789 1.00 0.00 C ATOM 0 H LEU A 21 7.529 6.132 -30.628 1.00 0.00 H new ATOM 0 HA LEU A 21 6.080 4.214 -29.155 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.105 5.411 -28.349 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.235 6.931 -28.366 1.00 0.00 H new ATOM 0 HG LEU A 21 5.615 6.030 -26.681 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.099 3.871 -25.569 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.772 3.639 -27.303 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.445 3.588 -26.698 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.224 5.969 -24.778 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.561 5.701 -25.922 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.666 7.239 -25.944 1.00 0.00 H new ATOM 349 N GLU A 22 4.602 7.141 -29.543 1.00 0.00 N ATOM 350 CA GLU A 22 3.318 7.821 -29.419 1.00 0.00 C ATOM 351 C GLU A 22 2.236 7.061 -30.182 1.00 0.00 C ATOM 352 O GLU A 22 1.121 6.891 -29.688 1.00 0.00 O ATOM 353 CB GLU A 22 3.431 9.248 -29.965 1.00 0.00 C ATOM 354 CG GLU A 22 2.099 9.982 -29.780 1.00 0.00 C ATOM 355 CD GLU A 22 2.231 11.426 -30.255 1.00 0.00 C ATOM 356 OE1 GLU A 22 3.311 11.787 -30.693 1.00 0.00 O ATOM 357 OE2 GLU A 22 1.251 12.147 -30.173 1.00 0.00 O1- ATOM 0 H GLU A 22 5.334 7.692 -29.992 1.00 0.00 H new ATOM 0 HA GLU A 22 3.043 7.858 -28.365 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.227 9.783 -29.447 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.699 9.223 -31.021 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.314 9.476 -30.342 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.805 9.961 -28.731 1.00 0.00 H new ATOM 364 N ARG A 23 2.572 6.607 -31.385 1.00 0.00 N ATOM 365 CA ARG A 23 1.621 5.865 -32.207 1.00 0.00 C ATOM 366 C ARG A 23 1.240 4.552 -31.525 1.00 0.00 C ATOM 367 O ARG A 23 0.087 4.126 -31.578 1.00 0.00 O ATOM 368 CB ARG A 23 2.241 5.559 -33.580 1.00 0.00 C ATOM 369 CG ARG A 23 2.516 6.850 -34.373 1.00 0.00 C ATOM 370 CD ARG A 23 1.210 7.478 -34.888 1.00 0.00 C ATOM 371 NE ARG A 23 1.515 8.613 -35.756 1.00 0.00 N ATOM 372 CZ ARG A 23 1.727 9.828 -35.258 1.00 0.00 C ATOM 373 NH1 ARG A 23 1.996 10.824 -36.058 1.00 0.00 N1+ ATOM 374 NH2 ARG A 23 1.667 10.025 -33.969 1.00 0.00 N ATOM 0 H ARG A 23 3.489 6.738 -31.811 1.00 0.00 H new ATOM 0 HA ARG A 23 0.727 6.475 -32.336 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.172 5.007 -33.446 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.569 4.917 -34.149 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.040 7.565 -33.738 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.173 6.630 -35.215 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.630 6.735 -35.436 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.597 7.805 -34.048 1.00 0.00 H new ATOM 0 HE ARG A 23 1.566 8.471 -36.765 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.044 10.671 -37.065 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.158 11.756 -35.676 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.458 9.247 -33.343 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.830 10.957 -33.587 1.00 0.00 H new ATOM 388 N LEU A 24 2.220 3.914 -30.894 1.00 0.00 N ATOM 389 CA LEU A 24 1.984 2.647 -30.212 1.00 0.00 C ATOM 390 C LEU A 24 0.947 2.815 -29.104 1.00 0.00 C ATOM 391 O LEU A 24 0.066 1.971 -28.936 1.00 0.00 O ATOM 392 CB LEU A 24 3.302 2.125 -29.624 1.00 0.00 C ATOM 393 CG LEU A 24 3.082 0.791 -28.892 1.00 0.00 C ATOM 394 CD1 LEU A 24 2.540 -0.268 -29.866 1.00 0.00 C ATOM 395 CD2 LEU A 24 4.421 0.318 -28.314 1.00 0.00 C ATOM 0 H LEU A 24 3.181 4.252 -30.841 1.00 0.00 H new ATOM 0 HA LEU A 24 1.599 1.927 -30.934 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.033 1.991 -30.421 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.714 2.861 -28.933 1.00 0.00 H new ATOM 0 HG LEU A 24 2.356 0.933 -28.091 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.389 -1.208 -29.335 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.591 0.071 -30.281 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.256 -0.419 -30.674 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.278 -0.628 -27.792 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.139 0.181 -29.123 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.800 1.064 -27.616 1.00 0.00 H new ATOM 407 N LYS A 25 1.067 3.901 -28.346 1.00 0.00 N ATOM 408 CA LYS A 25 0.139 4.169 -27.249 1.00 0.00 C ATOM 409 C LYS A 25 0.163 3.023 -26.242 1.00 0.00 C ATOM 410 O LYS A 25 0.625 1.924 -26.550 1.00 0.00 O ATOM 411 CB LYS A 25 -1.285 4.348 -27.789 1.00 0.00 C ATOM 412 CG LYS A 25 -1.302 5.473 -28.828 1.00 0.00 C ATOM 413 CD LYS A 25 -2.685 5.578 -29.486 1.00 0.00 C ATOM 414 CE LYS A 25 -3.703 6.176 -28.508 1.00 0.00 C ATOM 415 NZ LYS A 25 -4.970 6.469 -29.233 1.00 0.00 N1+ ATOM 0 H LYS A 25 1.793 4.607 -28.469 1.00 0.00 H new ATOM 0 HA LYS A 25 0.451 5.087 -26.752 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.634 3.418 -28.239 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.968 4.583 -26.972 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.047 6.420 -28.352 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.544 5.285 -29.589 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.623 6.199 -30.379 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.017 4.591 -29.807 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.891 5.480 -27.691 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.305 7.089 -28.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.662 6.875 -28.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.783 7.148 -29.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.351 5.589 -29.636 1.00 0.00 H new ATOM 429 N ASN A 26 -0.336 3.286 -25.036 1.00 0.00 N ATOM 430 CA ASN A 26 -0.370 2.268 -23.986 1.00 0.00 C ATOM 431 C ASN A 26 -1.671 1.473 -24.047 1.00 0.00 C ATOM 432 O ASN A 26 -1.943 0.644 -23.180 1.00 0.00 O ATOM 433 CB ASN A 26 -0.238 2.934 -22.614 1.00 0.00 C ATOM 434 CG ASN A 26 -1.459 3.802 -22.326 1.00 0.00 C ATOM 435 OD1 ASN A 26 -2.439 3.768 -23.070 1.00 0.00 O ATOM 436 ND2 ASN A 26 -1.459 4.585 -21.282 1.00 0.00 N ATOM 0 H ASN A 26 -0.721 4.190 -24.762 1.00 0.00 H new ATOM 0 HA ASN A 26 0.464 1.584 -24.141 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.135 2.172 -21.841 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.665 3.544 -22.584 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.271 5.169 -21.082 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.647 4.613 -20.666 1.00 0.00 H new ATOM 443 N GLU A 27 -2.473 1.736 -25.078 1.00 0.00 N ATOM 444 CA GLU A 27 -3.751 1.042 -25.254 1.00 0.00 C ATOM 445 C GLU A 27 -3.959 0.692 -26.724 1.00 0.00 C ATOM 446 O GLU A 27 -3.759 1.527 -27.606 1.00 0.00 O ATOM 447 CB GLU A 27 -4.895 1.940 -24.762 1.00 0.00 C ATOM 448 CG GLU A 27 -6.242 1.220 -24.910 1.00 0.00 C ATOM 449 CD GLU A 27 -6.269 -0.031 -24.037 1.00 0.00 C ATOM 450 OE1 GLU A 27 -5.485 -0.096 -23.105 1.00 0.00 O ATOM 451 OE2 GLU A 27 -7.074 -0.905 -24.314 1.00 0.00 O1- ATOM 0 H GLU A 27 -2.263 2.422 -25.803 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.741 0.120 -24.672 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.732 2.209 -23.718 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.907 2.869 -25.332 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.054 1.889 -24.625 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.405 0.948 -25.953 1.00 0.00 H new ATOM 458 N ARG A 28 -4.362 -0.552 -26.981 1.00 0.00 N ATOM 459 CA ARG A 28 -4.600 -1.019 -28.350 1.00 0.00 C ATOM 460 C ARG A 28 -5.939 -1.743 -28.441 1.00 0.00 C ATOM 461 O ARG A 28 -6.380 -2.375 -27.480 1.00 0.00 O ATOM 462 CB ARG A 28 -3.478 -1.967 -28.777 1.00 0.00 C ATOM 463 CG ARG A 28 -2.146 -1.213 -28.784 1.00 0.00 C ATOM 464 CD ARG A 28 -1.012 -2.183 -29.117 1.00 0.00 C ATOM 465 NE ARG A 28 -1.150 -2.672 -30.484 1.00 0.00 N ATOM 466 CZ ARG A 28 -0.352 -3.624 -30.957 1.00 0.00 C ATOM 467 NH1 ARG A 28 -0.495 -4.044 -32.184 1.00 0.00 N1+ ATOM 468 NH2 ARG A 28 0.573 -4.139 -30.194 1.00 0.00 N ATOM 0 H ARG A 28 -4.531 -1.255 -26.262 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.620 -0.154 -29.013 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.424 -2.815 -28.094 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.685 -2.369 -29.769 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.176 -0.407 -29.517 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.971 -0.753 -27.811 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.050 -1.684 -28.997 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.025 -3.021 -28.420 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.871 -2.277 -31.087 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.219 -3.642 -32.780 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.117 -4.774 -32.548 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.684 -3.811 -29.235 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.185 -4.870 -30.557 1.00 0.00 H new ATOM 482 N HIS A 29 -6.581 -1.649 -29.605 1.00 0.00 N ATOM 483 CA HIS A 29 -7.876 -2.299 -29.825 1.00 0.00 C ATOM 484 C HIS A 29 -7.902 -2.987 -31.185 1.00 0.00 C ATOM 485 O HIS A 29 -7.295 -2.511 -32.144 1.00 0.00 O ATOM 486 CB HIS A 29 -8.997 -1.260 -29.757 1.00 0.00 C ATOM 487 CG HIS A 29 -8.988 -0.599 -28.407 1.00 0.00 C ATOM 488 ND1 HIS A 29 -9.375 -1.266 -27.255 1.00 0.00 N ATOM 489 CD2 HIS A 29 -8.641 0.668 -28.008 1.00 0.00 C ATOM 490 CE1 HIS A 29 -9.253 -0.406 -26.227 1.00 0.00 C ATOM 491 NE2 HIS A 29 -8.810 0.788 -26.631 1.00 0.00 N ATOM 0 H HIS A 29 -6.228 -1.131 -30.409 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.025 -3.048 -29.047 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.863 -0.514 -30.540 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.961 -1.738 -29.933 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -9.694 -2.233 -27.197 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.290 1.452 -28.662 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.485 -0.651 -25.201 1.00 0.00 H new ATOM 499 N ASP A 30 -8.608 -4.111 -31.262 1.00 0.00 N ATOM 500 CA ASP A 30 -8.705 -4.856 -32.512 1.00 0.00 C ATOM 501 C ASP A 30 -9.367 -4.007 -33.592 1.00 0.00 C ATOM 502 O ASP A 30 -8.960 -4.036 -34.753 1.00 0.00 O ATOM 503 CB ASP A 30 -9.517 -6.134 -32.295 1.00 0.00 C ATOM 504 CG ASP A 30 -8.712 -7.130 -31.469 1.00 0.00 C ATOM 505 OD1 ASP A 30 -7.520 -6.917 -31.316 1.00 0.00 O ATOM 506 OD2 ASP A 30 -9.297 -8.092 -31.000 1.00 0.00 O1- ATOM 0 H ASP A 30 -9.117 -4.523 -30.480 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.698 -5.116 -32.838 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.452 -5.899 -31.786 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.780 -6.575 -33.256 1.00 0.00 H new ATOM 511 N HIS A 31 -10.393 -3.250 -33.202 1.00 0.00 N ATOM 512 CA HIS A 31 -11.116 -2.389 -34.141 1.00 0.00 C ATOM 513 C HIS A 31 -11.378 -1.022 -33.518 1.00 0.00 C ATOM 514 O HIS A 31 -11.559 -0.906 -32.307 1.00 0.00 O ATOM 515 CB HIS A 31 -12.446 -3.040 -34.524 1.00 0.00 C ATOM 516 CG HIS A 31 -12.183 -4.344 -35.226 1.00 0.00 C ATOM 517 ND1 HIS A 31 -11.948 -5.521 -34.533 1.00 0.00 N ATOM 518 CD2 HIS A 31 -12.115 -4.673 -36.557 1.00 0.00 C ATOM 519 CE1 HIS A 31 -11.750 -6.494 -35.442 1.00 0.00 C ATOM 520 NE2 HIS A 31 -11.842 -6.031 -36.691 1.00 0.00 N ATOM 0 H HIS A 31 -10.742 -3.215 -32.244 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.504 -2.258 -35.034 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -13.050 -3.210 -33.633 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -13.015 -2.374 -35.172 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.253 -3.983 -37.376 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.542 -7.524 -35.191 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.735 -6.559 -37.557 1.00 0.00 H new ATOM 528 N ASP A 32 -11.397 0.010 -34.355 1.00 0.00 N ATOM 529 CA ASP A 32 -11.639 1.367 -33.876 1.00 0.00 C ATOM 530 C ASP A 32 -13.021 1.478 -33.239 1.00 0.00 C ATOM 531 O ASP A 32 -13.195 2.162 -32.231 1.00 0.00 O ATOM 532 CB ASP A 32 -11.530 2.356 -35.039 1.00 0.00 C ATOM 533 CG ASP A 32 -10.075 2.495 -35.473 1.00 0.00 C ATOM 534 OD1 ASP A 32 -9.212 2.045 -34.736 1.00 0.00 O ATOM 535 OD2 ASP A 32 -9.844 3.049 -36.535 1.00 0.00 O1- ATOM 0 H ASP A 32 -11.249 -0.065 -35.361 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.888 1.604 -33.123 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.136 2.012 -35.877 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.923 3.327 -34.739 1.00 0.00 H new ATOM 540 N GLU A 33 -14.001 0.813 -33.842 1.00 0.00 N ATOM 541 CA GLU A 33 -15.369 0.858 -33.329 1.00 0.00 C ATOM 542 C GLU A 33 -15.430 0.311 -31.905 1.00 0.00 C ATOM 543 O GLU A 33 -16.376 0.588 -31.166 1.00 0.00 O ATOM 544 CB GLU A 33 -16.309 0.047 -34.236 1.00 0.00 C ATOM 545 CG GLU A 33 -16.052 -1.460 -34.081 1.00 0.00 C ATOM 546 CD GLU A 33 -16.855 -2.231 -35.123 1.00 0.00 C ATOM 547 OE1 GLU A 33 -17.538 -1.592 -35.907 1.00 0.00 O ATOM 548 OE2 GLU A 33 -16.776 -3.448 -35.123 1.00 0.00 O1- ATOM 0 H GLU A 33 -13.878 0.242 -34.678 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.692 1.899 -33.320 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.346 0.271 -33.986 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.161 0.341 -35.275 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.989 -1.671 -34.199 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.332 -1.785 -33.079 1.00 0.00 H new ATOM 555 N GLU A 34 -14.421 -0.466 -31.525 1.00 0.00 N ATOM 556 CA GLU A 34 -14.381 -1.043 -30.185 1.00 0.00 C ATOM 557 C GLU A 34 -14.334 0.059 -29.130 1.00 0.00 C ATOM 558 O GLU A 34 -15.003 -0.026 -28.101 1.00 0.00 O ATOM 559 CB GLU A 34 -13.150 -1.944 -30.040 1.00 0.00 C ATOM 560 CG GLU A 34 -13.189 -2.671 -28.689 1.00 0.00 C ATOM 561 CD GLU A 34 -12.724 -1.742 -27.568 1.00 0.00 C ATOM 562 OE1 GLU A 34 -11.945 -0.847 -27.847 1.00 0.00 O ATOM 563 OE2 GLU A 34 -13.156 -1.943 -26.445 1.00 0.00 O1- ATOM 0 H GLU A 34 -13.628 -0.709 -32.118 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.284 -1.635 -30.037 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.123 -2.670 -30.853 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.241 -1.347 -30.115 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.202 -3.018 -28.485 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.551 -3.554 -28.726 1.00 0.00 H new ATOM 570 N ALA A 35 -13.542 1.092 -29.395 1.00 0.00 N ATOM 571 CA ALA A 35 -13.416 2.206 -28.461 1.00 0.00 C ATOM 572 C ALA A 35 -14.764 2.894 -28.264 1.00 0.00 C ATOM 573 O ALA A 35 -15.117 3.281 -27.150 1.00 0.00 O ATOM 574 CB ALA A 35 -12.397 3.217 -28.989 1.00 0.00 C ATOM 0 H ALA A 35 -12.981 1.182 -30.242 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.076 1.816 -27.502 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.309 4.045 -28.286 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.428 2.732 -29.101 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.728 3.595 -29.956 1.00 0.00 H new ATOM 580 N GLU A 36 -15.512 3.038 -29.353 1.00 0.00 N ATOM 581 CA GLU A 36 -16.824 3.676 -29.286 1.00 0.00 C ATOM 582 C GLU A 36 -17.773 2.862 -28.411 1.00 0.00 C ATOM 583 O GLU A 36 -18.559 3.420 -27.646 1.00 0.00 O ATOM 584 CB GLU A 36 -17.420 3.827 -30.690 1.00 0.00 C ATOM 585 CG GLU A 36 -16.661 4.911 -31.465 1.00 0.00 C ATOM 586 CD GLU A 36 -17.115 4.921 -32.921 1.00 0.00 C ATOM 587 OE1 GLU A 36 -17.767 3.971 -33.325 1.00 0.00 O ATOM 588 OE2 GLU A 36 -16.804 5.878 -33.611 1.00 0.00 O1- ATOM 0 H GLU A 36 -15.237 2.725 -30.284 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.697 4.665 -28.845 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -17.362 2.878 -31.223 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -18.476 4.089 -30.620 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.839 5.886 -31.012 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.588 4.726 -31.411 1.00 0.00 H new ATOM 595 N ARG A 37 -17.690 1.542 -28.528 1.00 0.00 N ATOM 596 CA ARG A 37 -18.545 0.660 -27.738 1.00 0.00 C ATOM 597 C ARG A 37 -18.255 0.829 -26.250 1.00 0.00 C ATOM 598 O ARG A 37 -19.167 0.819 -25.424 1.00 0.00 O ATOM 599 CB ARG A 37 -18.320 -0.805 -28.142 1.00 0.00 C ATOM 600 CG ARG A 37 -18.900 -1.083 -29.544 1.00 0.00 C ATOM 601 CD ARG A 37 -20.402 -1.386 -29.453 1.00 0.00 C ATOM 602 NE ARG A 37 -20.931 -1.693 -30.776 1.00 0.00 N ATOM 603 CZ ARG A 37 -22.210 -2.014 -30.947 1.00 0.00 C ATOM 604 NH1 ARG A 37 -22.660 -2.285 -32.141 1.00 0.00 N1+ ATOM 605 NH2 ARG A 37 -23.015 -2.058 -29.921 1.00 0.00 N ATOM 0 H ARG A 37 -17.046 1.061 -29.156 1.00 0.00 H new ATOM 0 HA ARG A 37 -19.583 0.929 -27.931 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.253 -1.029 -28.134 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -18.790 -1.464 -27.412 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -18.735 -0.221 -30.190 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -18.380 -1.926 -29.999 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -20.571 -2.227 -28.781 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -20.929 -0.530 -29.032 1.00 0.00 H new ATOM 0 HE ARG A 37 -20.310 -1.661 -31.584 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -22.031 -2.251 -32.943 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -23.641 -2.531 -32.273 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -22.663 -1.846 -28.987 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -23.996 -2.304 -30.053 1.00 0.00 H new ATOM 619 N LYS A 38 -16.978 0.979 -25.914 1.00 0.00 N ATOM 620 CA LYS A 38 -16.579 1.146 -24.522 1.00 0.00 C ATOM 621 C LYS A 38 -17.190 2.415 -23.935 1.00 0.00 C ATOM 622 O LYS A 38 -17.623 2.431 -22.783 1.00 0.00 O ATOM 623 CB LYS A 38 -15.050 1.223 -24.425 1.00 0.00 C ATOM 624 CG LYS A 38 -14.427 -0.159 -24.713 1.00 0.00 C ATOM 625 CD LYS A 38 -14.367 -1.010 -23.429 1.00 0.00 C ATOM 626 CE LYS A 38 -13.097 -0.683 -22.633 1.00 0.00 C ATOM 627 NZ LYS A 38 -11.903 -1.154 -23.390 1.00 0.00 N1+ ATOM 0 H LYS A 38 -16.207 0.988 -26.582 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.940 0.288 -23.955 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.670 1.957 -25.136 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.758 1.561 -23.431 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.014 -0.677 -25.471 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.423 -0.033 -25.119 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.248 -0.819 -22.816 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.381 -2.069 -23.686 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.030 0.391 -22.459 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.134 -1.163 -21.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.137 -1.380 -22.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.151 -2.005 -23.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.587 -0.406 -24.040 1.00 0.00 H new ATOM 641 N ALA A 39 -17.223 3.476 -24.734 1.00 0.00 N ATOM 642 CA ALA A 39 -17.783 4.744 -24.281 1.00 0.00 C ATOM 643 C ALA A 39 -19.257 4.583 -23.924 1.00 0.00 C ATOM 644 O ALA A 39 -19.731 5.139 -22.933 1.00 0.00 O ATOM 645 CB ALA A 39 -17.635 5.802 -25.377 1.00 0.00 C ATOM 0 H ALA A 39 -16.871 3.484 -25.691 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.238 5.062 -23.392 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.056 6.746 -25.031 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.579 5.939 -25.610 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.165 5.475 -26.272 1.00 0.00 H new ATOM 651 N LEU A 40 -19.977 3.813 -24.734 1.00 0.00 N ATOM 652 CA LEU A 40 -21.396 3.580 -24.489 1.00 0.00 C ATOM 653 C LEU A 40 -21.594 2.834 -23.172 1.00 0.00 C ATOM 654 O LEU A 40 -22.526 3.119 -22.420 1.00 0.00 O ATOM 655 CB LEU A 40 -22.014 2.768 -25.635 1.00 0.00 C ATOM 656 CG LEU A 40 -22.105 3.618 -26.916 1.00 0.00 C ATOM 657 CD1 LEU A 40 -22.494 2.710 -28.087 1.00 0.00 C ATOM 658 CD2 LEU A 40 -23.163 4.731 -26.753 1.00 0.00 C ATOM 0 H LEU A 40 -19.605 3.343 -25.559 1.00 0.00 H new ATOM 0 HA LEU A 40 -21.893 4.548 -24.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.412 1.879 -25.824 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -23.008 2.424 -25.349 1.00 0.00 H new ATOM 0 HG LEU A 40 -21.138 4.084 -27.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -22.561 3.302 -29.000 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -21.739 1.934 -28.213 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -23.459 2.247 -27.883 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -23.214 5.322 -27.668 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -24.137 4.282 -26.557 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -22.887 5.376 -25.919 1.00 0.00 H new ATOM 670 N GLU A 41 -20.712 1.877 -22.904 1.00 0.00 N ATOM 671 CA GLU A 41 -20.799 1.092 -21.679 1.00 0.00 C ATOM 672 C GLU A 41 -20.650 1.992 -20.455 1.00 0.00 C ATOM 673 O GLU A 41 -21.368 1.834 -19.467 1.00 0.00 O ATOM 674 CB GLU A 41 -19.704 0.021 -21.670 1.00 0.00 C ATOM 675 CG GLU A 41 -19.832 -0.844 -20.412 1.00 0.00 C ATOM 676 CD GLU A 41 -18.789 -1.956 -20.439 1.00 0.00 C ATOM 677 OE1 GLU A 41 -18.034 -2.011 -21.395 1.00 0.00 O ATOM 678 OE2 GLU A 41 -18.761 -2.736 -19.501 1.00 0.00 O1- ATOM 0 H GLU A 41 -19.934 1.628 -23.514 1.00 0.00 H new ATOM 0 HA GLU A 41 -21.777 0.611 -21.642 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -19.785 -0.602 -22.560 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.722 0.492 -21.700 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.698 -0.229 -19.522 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.832 -1.273 -20.355 1.00 0.00 H new ATOM 685 N ASP A 42 -19.711 2.930 -20.523 1.00 0.00 N ATOM 686 CA ASP A 42 -19.478 3.844 -19.411 1.00 0.00 C ATOM 687 C ASP A 42 -20.725 4.676 -19.127 1.00 0.00 C ATOM 688 O ASP A 42 -21.069 4.920 -17.971 1.00 0.00 O ATOM 689 CB ASP A 42 -18.307 4.773 -19.735 1.00 0.00 C ATOM 690 CG ASP A 42 -16.997 3.993 -19.700 1.00 0.00 C ATOM 691 OD1 ASP A 42 -17.006 2.879 -19.202 1.00 0.00 O ATOM 692 OD2 ASP A 42 -16.004 4.521 -20.173 1.00 0.00 O1- ATOM 0 H ASP A 42 -19.104 3.077 -21.329 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.241 3.254 -18.526 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -18.448 5.219 -20.719 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.272 5.591 -19.016 1.00 0.00 H new ATOM 697 N LYS A 43 -21.400 5.107 -20.188 1.00 0.00 N ATOM 698 CA LYS A 43 -22.607 5.911 -20.037 1.00 0.00 C ATOM 699 C LYS A 43 -23.673 5.126 -19.277 1.00 0.00 C ATOM 700 O LYS A 43 -24.320 5.653 -18.372 1.00 0.00 O ATOM 701 CB LYS A 43 -23.138 6.313 -21.417 1.00 0.00 C ATOM 702 CG LYS A 43 -24.385 7.190 -21.264 1.00 0.00 C ATOM 703 CD LYS A 43 -24.880 7.616 -22.646 1.00 0.00 C ATOM 704 CE LYS A 43 -26.129 8.487 -22.496 1.00 0.00 C ATOM 705 NZ LYS A 43 -26.604 8.910 -23.844 1.00 0.00 N1+ ATOM 0 H LYS A 43 -21.134 4.915 -21.154 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.364 6.810 -19.470 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -22.369 6.854 -21.968 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.379 5.422 -21.997 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -25.167 6.641 -20.739 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -24.153 8.069 -20.662 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.099 8.168 -23.169 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.107 6.737 -23.249 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.913 7.932 -21.980 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.904 9.362 -21.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.453 9.502 -23.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -25.857 9.455 -24.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.834 8.069 -24.411 1.00 0.00 H new ATOM 719 N LEU A 44 -23.843 3.860 -19.646 1.00 0.00 N ATOM 720 CA LEU A 44 -24.828 3.007 -18.988 1.00 0.00 C ATOM 721 C LEU A 44 -24.454 2.792 -17.524 1.00 0.00 C ATOM 722 O LEU A 44 -25.319 2.764 -16.651 1.00 0.00 O ATOM 723 CB LEU A 44 -24.919 1.648 -19.696 1.00 0.00 C ATOM 724 CG LEU A 44 -25.582 1.798 -21.077 1.00 0.00 C ATOM 725 CD1 LEU A 44 -25.435 0.481 -21.846 1.00 0.00 C ATOM 726 CD2 LEU A 44 -27.080 2.142 -20.924 1.00 0.00 C ATOM 0 H LEU A 44 -23.316 3.404 -20.391 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.797 3.504 -19.041 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -23.921 1.224 -19.810 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -25.493 0.952 -19.085 1.00 0.00 H new ATOM 0 HG LEU A 44 -25.094 2.607 -21.621 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -25.902 0.578 -22.826 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -24.377 0.248 -21.969 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -25.921 -0.321 -21.290 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -27.532 2.244 -21.910 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -27.582 1.345 -20.375 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -27.184 3.080 -20.378 1.00 0.00 H new ATOM 738 N ALA A 45 -23.159 2.634 -17.271 1.00 0.00 N ATOM 739 CA ALA A 45 -22.667 2.413 -15.914 1.00 0.00 C ATOM 740 C ALA A 45 -23.001 3.594 -15.004 1.00 0.00 C ATOM 741 O ALA A 45 -23.328 3.410 -13.831 1.00 0.00 O ATOM 742 CB ALA A 45 -21.152 2.203 -15.939 1.00 0.00 C ATOM 0 H ALA A 45 -22.432 2.655 -17.986 1.00 0.00 H new ATOM 0 HA ALA A 45 -23.158 1.524 -15.519 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -20.791 2.039 -14.924 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -20.915 1.334 -16.554 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -20.669 3.086 -16.357 1.00 0.00 H new ATOM 748 N ASP A 46 -22.899 4.803 -15.544 1.00 0.00 N ATOM 749 CA ASP A 46 -23.176 6.004 -14.762 1.00 0.00 C ATOM 750 C ASP A 46 -24.613 5.998 -14.239 1.00 0.00 C ATOM 751 O ASP A 46 -24.867 6.368 -13.092 1.00 0.00 O ATOM 752 CB ASP A 46 -22.948 7.242 -15.632 1.00 0.00 C ATOM 753 CG ASP A 46 -21.456 7.432 -15.887 1.00 0.00 C ATOM 754 OD1 ASP A 46 -20.672 6.791 -15.208 1.00 0.00 O ATOM 755 OD2 ASP A 46 -21.120 8.218 -16.757 1.00 0.00 O1- ATOM 0 H ASP A 46 -22.629 4.978 -16.512 1.00 0.00 H new ATOM 0 HA ASP A 46 -22.501 6.024 -13.906 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -23.476 7.133 -16.579 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.356 8.124 -15.138 1.00 0.00 H new ATOM 760 N LYS A 47 -25.543 5.563 -15.080 1.00 0.00 N ATOM 761 CA LYS A 47 -26.951 5.495 -14.694 1.00 0.00 C ATOM 762 C LYS A 47 -27.464 6.847 -14.198 1.00 0.00 C ATOM 763 O LYS A 47 -28.507 6.918 -13.549 1.00 0.00 O ATOM 764 CB LYS A 47 -27.137 4.457 -13.584 1.00 0.00 C ATOM 765 CG LYS A 47 -26.725 3.076 -14.094 1.00 0.00 C ATOM 766 CD LYS A 47 -26.943 2.038 -12.992 1.00 0.00 C ATOM 767 CE LYS A 47 -26.552 0.653 -13.509 1.00 0.00 C ATOM 768 NZ LYS A 47 -25.099 0.638 -13.840 1.00 0.00 N1+ ATOM 0 H LYS A 47 -25.351 5.252 -16.032 1.00 0.00 H new ATOM 0 HA LYS A 47 -27.521 5.210 -15.578 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -26.537 4.728 -12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -28.178 4.440 -13.260 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -27.309 2.813 -14.976 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.678 3.086 -14.397 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.347 2.292 -12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -27.987 2.039 -12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -26.772 -0.104 -12.756 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -27.140 0.404 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.656 -0.204 -13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.978 0.614 -14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -24.647 1.493 -13.458 1.00 0.00 H new ATOM 782 N GLN A 48 -26.742 7.916 -14.511 1.00 0.00 N ATOM 783 CA GLN A 48 -27.165 9.251 -14.088 1.00 0.00 C ATOM 784 C GLN A 48 -28.473 9.648 -14.764 1.00 0.00 C ATOM 785 O GLN A 48 -29.343 10.258 -14.142 1.00 0.00 O ATOM 786 CB GLN A 48 -26.080 10.287 -14.399 1.00 0.00 C ATOM 787 CG GLN A 48 -24.896 10.098 -13.446 1.00 0.00 C ATOM 788 CD GLN A 48 -23.724 10.965 -13.891 1.00 0.00 C ATOM 789 OE1 GLN A 48 -23.578 11.249 -15.079 1.00 0.00 O ATOM 790 NE2 GLN A 48 -22.876 11.406 -13.002 1.00 0.00 N ATOM 0 H GLN A 48 -25.875 7.890 -15.047 1.00 0.00 H new ATOM 0 HA GLN A 48 -27.326 9.223 -13.010 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -25.748 10.181 -15.432 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -26.485 11.294 -14.296 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.190 10.363 -12.431 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.597 9.050 -13.428 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -23.000 11.169 -12.018 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -22.090 11.988 -13.292 1.00 0.00 H new ATOM 799 N GLU A 49 -28.608 9.297 -16.038 1.00 0.00 N ATOM 800 CA GLU A 49 -29.822 9.623 -16.782 1.00 0.00 C ATOM 801 C GLU A 49 -31.033 8.918 -16.179 1.00 0.00 C ATOM 802 O GLU A 49 -32.119 9.493 -16.099 1.00 0.00 O ATOM 803 CB GLU A 49 -29.674 9.223 -18.254 1.00 0.00 C ATOM 804 CG GLU A 49 -28.698 10.172 -18.958 1.00 0.00 C ATOM 805 CD GLU A 49 -28.403 9.663 -20.364 1.00 0.00 C ATOM 806 OE1 GLU A 49 -28.733 8.522 -20.641 1.00 0.00 O ATOM 807 OE2 GLU A 49 -27.851 10.422 -21.144 1.00 0.00 O1- ATOM 0 H GLU A 49 -27.902 8.792 -16.573 1.00 0.00 H new ATOM 0 HA GLU A 49 -29.974 10.700 -16.718 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -29.313 8.197 -18.326 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -30.645 9.255 -18.748 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -29.123 11.175 -19.006 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -27.773 10.245 -18.387 1.00 0.00 H new ATOM 814 N HIS A 50 -30.844 7.671 -15.760 1.00 0.00 N ATOM 815 CA HIS A 50 -31.935 6.903 -15.171 1.00 0.00 C ATOM 816 C HIS A 50 -32.420 7.563 -13.885 1.00 0.00 C ATOM 817 O HIS A 50 -33.622 7.633 -13.627 1.00 0.00 O ATOM 818 CB HIS A 50 -31.466 5.478 -14.863 1.00 0.00 C ATOM 819 CG HIS A 50 -31.238 4.720 -16.146 1.00 0.00 C ATOM 820 ND1 HIS A 50 -30.683 3.449 -16.157 1.00 0.00 N ATOM 821 CD2 HIS A 50 -31.473 5.035 -17.464 1.00 0.00 C ATOM 822 CE1 HIS A 50 -30.605 3.049 -17.439 1.00 0.00 C ATOM 823 NE2 HIS A 50 -31.071 3.978 -18.277 1.00 0.00 N ATOM 0 H HIS A 50 -29.955 7.175 -15.816 1.00 0.00 H new ATOM 0 HA HIS A 50 -32.757 6.871 -15.886 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -30.545 5.508 -14.280 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -32.211 4.965 -14.256 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -31.904 5.961 -17.815 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -30.213 2.093 -17.752 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -31.122 3.925 -19.294 1.00 0.00 H new ATOM 831 N LEU A 51 -31.480 8.055 -13.084 1.00 0.00 N ATOM 832 CA LEU A 51 -31.830 8.717 -11.830 1.00 0.00 C ATOM 833 C LEU A 51 -32.485 10.068 -12.114 1.00 0.00 C ATOM 834 O LEU A 51 -33.449 10.454 -11.453 1.00 0.00 O ATOM 835 CB LEU A 51 -30.566 8.903 -10.961 1.00 0.00 C ATOM 836 CG LEU A 51 -30.399 7.722 -9.992 1.00 0.00 C ATOM 837 CD1 LEU A 51 -30.211 6.421 -10.775 1.00 0.00 C ATOM 838 CD2 LEU A 51 -29.175 7.961 -9.106 1.00 0.00 C ATOM 0 H LEU A 51 -30.479 8.009 -13.277 1.00 0.00 H new ATOM 0 HA LEU A 51 -32.540 8.095 -11.286 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -29.687 8.983 -11.600 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -30.638 9.834 -10.399 1.00 0.00 H new ATOM 0 HG LEU A 51 -31.293 7.640 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -30.094 5.591 -10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -31.083 6.246 -11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -29.322 6.498 -11.401 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -29.055 7.124 -8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -28.286 8.048 -9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -29.311 8.881 -8.538 1.00 0.00 H new ATOM 850 N ASP A 52 -31.950 10.781 -13.099 1.00 0.00 N ATOM 851 CA ASP A 52 -32.484 12.090 -13.459 1.00 0.00 C ATOM 852 C ASP A 52 -33.935 11.974 -13.918 1.00 0.00 C ATOM 853 O ASP A 52 -34.786 12.770 -13.519 1.00 0.00 O ATOM 854 CB ASP A 52 -31.641 12.709 -14.576 1.00 0.00 C ATOM 855 CG ASP A 52 -32.152 14.108 -14.900 1.00 0.00 C ATOM 856 OD1 ASP A 52 -33.188 14.476 -14.372 1.00 0.00 O ATOM 857 OD2 ASP A 52 -31.499 14.791 -15.673 1.00 0.00 O1- ATOM 0 H ASP A 52 -31.153 10.478 -13.659 1.00 0.00 H new ATOM 0 HA ASP A 52 -32.446 12.730 -12.577 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -30.596 12.756 -14.270 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -31.685 12.082 -15.466 1.00 0.00 H new ATOM 862 N GLY A 53 -34.212 10.981 -14.758 1.00 0.00 N ATOM 863 CA GLY A 53 -35.566 10.777 -15.260 1.00 0.00 C ATOM 864 C GLY A 53 -35.914 11.814 -16.325 1.00 0.00 C ATOM 865 O GLY A 53 -37.080 11.990 -16.672 1.00 0.00 O ATOM 0 H GLY A 53 -33.524 10.311 -15.102 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -35.656 9.775 -15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -36.277 10.843 -14.437 1.00 0.00 H new ATOM 869 N ALA A 54 -34.894 12.503 -16.837 1.00 0.00 N ATOM 870 CA ALA A 54 -35.105 13.525 -17.859 1.00 0.00 C ATOM 871 C ALA A 54 -35.207 12.896 -19.245 1.00 0.00 C ATOM 872 O ALA A 54 -35.428 13.591 -20.237 1.00 0.00 O ATOM 873 CB ALA A 54 -33.949 14.528 -17.837 1.00 0.00 C ATOM 0 H ALA A 54 -33.920 12.373 -16.562 1.00 0.00 H new ATOM 0 HA ALA A 54 -36.041 14.038 -17.640 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.112 15.288 -18.601 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -33.899 15.004 -16.858 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -33.012 14.008 -18.036 1.00 0.00 H new ATOM 879 N LEU A 55 -35.034 11.580 -19.310 1.00 0.00 N ATOM 880 CA LEU A 55 -35.098 10.872 -20.584 1.00 0.00 C ATOM 881 C LEU A 55 -36.480 11.015 -21.219 1.00 0.00 C ATOM 882 O LEU A 55 -36.597 11.178 -22.433 1.00 0.00 O ATOM 883 CB LEU A 55 -34.786 9.388 -20.374 1.00 0.00 C ATOM 884 CG LEU A 55 -33.309 9.203 -19.994 1.00 0.00 C ATOM 885 CD1 LEU A 55 -33.078 7.748 -19.573 1.00 0.00 C ATOM 886 CD2 LEU A 55 -32.392 9.549 -21.188 1.00 0.00 C ATOM 0 H LEU A 55 -34.850 10.985 -18.502 1.00 0.00 H new ATOM 0 HA LEU A 55 -34.359 11.311 -21.253 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -35.424 8.983 -19.589 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -35.007 8.830 -21.284 1.00 0.00 H new ATOM 0 HG LEU A 55 -33.069 9.873 -19.169 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -32.031 7.609 -19.302 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -33.709 7.513 -18.716 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -33.329 7.085 -20.401 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -31.350 9.412 -20.898 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -32.625 8.894 -22.027 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -32.553 10.586 -21.482 1.00 0.00 H new ATOM 898 N ARG A 56 -37.522 10.952 -20.396 1.00 0.00 N ATOM 899 CA ARG A 56 -38.885 11.075 -20.903 1.00 0.00 C ATOM 900 C ARG A 56 -39.105 12.448 -21.529 1.00 0.00 C ATOM 901 O ARG A 56 -40.008 12.632 -22.346 1.00 0.00 O ATOM 902 CB ARG A 56 -39.895 10.840 -19.771 1.00 0.00 C ATOM 903 CG ARG A 56 -39.763 11.935 -18.707 1.00 0.00 C ATOM 904 CD ARG A 56 -40.774 11.679 -17.588 1.00 0.00 C ATOM 905 NE ARG A 56 -42.134 11.846 -18.089 1.00 0.00 N ATOM 906 CZ ARG A 56 -43.186 11.570 -17.327 1.00 0.00 C ATOM 907 NH1 ARG A 56 -44.393 11.728 -17.797 1.00 0.00 N1+ ATOM 908 NH2 ARG A 56 -43.013 11.140 -16.106 1.00 0.00 N ATOM 0 H ARG A 56 -37.451 10.818 -19.387 1.00 0.00 H new ATOM 0 HA ARG A 56 -39.035 10.318 -21.673 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -40.908 10.834 -20.173 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -39.725 9.862 -19.320 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -38.751 11.945 -18.303 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -39.937 12.914 -19.153 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -40.645 10.671 -17.195 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -40.596 12.368 -16.762 1.00 0.00 H new ATOM 0 HE ARG A 56 -42.279 12.181 -19.041 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -44.529 12.064 -18.750 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -45.200 11.516 -17.211 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -42.070 11.016 -15.738 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -43.821 10.928 -15.521 1.00 0.00 H new ATOM 922 N TYR A 57 -38.274 13.411 -21.141 1.00 0.00 N ATOM 923 CA TYR A 57 -38.387 14.765 -21.672 1.00 0.00 C ATOM 924 C TYR A 57 -39.805 15.296 -21.478 1.00 0.00 C ATOM 925 O TYR A 57 -40.019 16.468 -21.745 1.00 0.00 O ATOM 926 CB TYR A 57 -38.031 14.773 -23.160 1.00 0.00 C ATOM 927 CG TYR A 57 -38.243 16.159 -23.726 1.00 0.00 C ATOM 928 CD1 TYR A 57 -37.294 17.162 -23.492 1.00 0.00 C ATOM 929 CD2 TYR A 57 -39.387 16.440 -24.483 1.00 0.00 C ATOM 930 CE1 TYR A 57 -37.490 18.446 -24.014 1.00 0.00 C ATOM 931 CE2 TYR A 57 -39.582 17.725 -25.005 1.00 0.00 C ATOM 932 CZ TYR A 57 -38.633 18.727 -24.772 1.00 0.00 C ATOM 933 OH TYR A 57 -38.826 19.993 -25.286 1.00 0.00 O ATOM 934 OXT TYR A 57 -40.655 14.523 -21.068 1.00 0.00 O ATOM 0 H TYR A 57 -37.521 13.280 -20.466 1.00 0.00 H new ATOM 0 HA TYR A 57 -37.693 15.410 -21.132 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -36.994 14.468 -23.297 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -38.649 14.052 -23.696 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -36.411 16.945 -22.909 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -40.118 15.666 -24.664 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -36.759 19.220 -23.832 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -40.465 17.943 -25.588 1.00 0.00 H new ATOM 0 HH TYR A 57 -39.668 20.018 -25.788 1.00 0.00 H new TER 944 TYR A 57