USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 596 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0289 (180deg=-0.533) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 123:sc= 0.0717 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.794 K(o=-0.79,f=-0.16) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= -0.0696 (180deg=-0.428) USER MOD Single : A 30 CYS SG : rot -3:sc=-0.00178 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.7) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.37) USER MOD Single : A 49 LYS NZ :NH3+ -142:sc=-0.00212 (180deg=-0.0942) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.024) USER MOD Single : A 61 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.21) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.957 7.191 13.074 1.00 0.00 N ATOM 2 CA MET A 1 41.241 6.848 11.812 1.00 0.00 C ATOM 3 C MET A 1 41.384 8.000 10.814 1.00 0.00 C ATOM 4 O MET A 1 40.458 8.328 10.096 1.00 0.00 O ATOM 5 CB MET A 1 39.758 6.612 12.115 1.00 0.00 C ATOM 6 CG MET A 1 39.182 7.829 12.842 1.00 0.00 C ATOM 7 SD MET A 1 37.378 7.698 12.899 1.00 0.00 S ATOM 8 CE MET A 1 37.248 7.048 14.583 1.00 0.00 C ATOM 0 H1 MET A 1 41.657 6.543 13.830 1.00 0.00 H new ATOM 0 H2 MET A 1 42.983 7.100 12.927 1.00 0.00 H new ATOM 0 H3 MET A 1 41.732 8.169 13.346 1.00 0.00 H new ATOM 0 HA MET A 1 41.672 5.943 11.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 39.211 6.437 11.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 39.640 5.719 12.729 1.00 0.00 H new ATOM 0 HG2 MET A 1 39.585 7.887 13.853 1.00 0.00 H new ATOM 0 HG3 MET A 1 39.475 8.745 12.329 1.00 0.00 H new ATOM 0 HE1 MET A 1 36.199 6.890 14.832 1.00 0.00 H new ATOM 0 HE2 MET A 1 37.784 6.101 14.650 1.00 0.00 H new ATOM 0 HE3 MET A 1 37.683 7.761 15.283 1.00 0.00 H new ATOM 20 N GLU A 2 42.539 8.613 10.765 1.00 0.00 N ATOM 21 CA GLU A 2 42.752 9.744 9.816 1.00 0.00 C ATOM 22 C GLU A 2 44.250 9.914 9.553 1.00 0.00 C ATOM 23 O GLU A 2 44.742 11.018 9.414 1.00 0.00 O ATOM 24 CB GLU A 2 42.189 11.032 10.421 1.00 0.00 C ATOM 25 CG GLU A 2 41.860 12.021 9.301 1.00 0.00 C ATOM 26 CD GLU A 2 41.353 13.330 9.910 1.00 0.00 C ATOM 27 OE1 GLU A 2 40.210 13.358 10.337 1.00 0.00 O ATOM 28 OE2 GLU A 2 42.116 14.281 9.940 1.00 0.00 O ATOM 0 H GLU A 2 43.345 8.377 11.344 1.00 0.00 H new ATOM 0 HA GLU A 2 42.241 9.532 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 2 41.293 10.812 11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 2 42.913 11.471 11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 2 42.746 12.209 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 2 41.104 11.599 8.639 1.00 0.00 H new ATOM 35 N THR A 3 44.976 8.827 9.484 1.00 0.00 N ATOM 36 CA THR A 3 46.442 8.914 9.229 1.00 0.00 C ATOM 37 C THR A 3 46.738 8.456 7.798 1.00 0.00 C ATOM 38 O THR A 3 47.210 7.357 7.571 1.00 0.00 O ATOM 39 CB THR A 3 47.185 8.017 10.223 1.00 0.00 C ATOM 40 OG1 THR A 3 46.797 8.358 11.547 1.00 0.00 O ATOM 41 CG2 THR A 3 48.692 8.215 10.064 1.00 0.00 C ATOM 0 H THR A 3 44.613 7.880 9.594 1.00 0.00 H new ATOM 0 HA THR A 3 46.775 9.944 9.354 1.00 0.00 H new ATOM 0 HB THR A 3 46.936 6.974 10.028 1.00 0.00 H new ATOM 0 HG1 THR A 3 47.270 7.784 12.185 1.00 0.00 H new ATOM 0 HG21 THR A 3 49.220 7.576 10.772 1.00 0.00 H new ATOM 0 HG22 THR A 3 48.988 7.953 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 3 48.944 9.257 10.258 1.00 0.00 H new ATOM 49 N LEU A 4 46.459 9.294 6.832 1.00 0.00 N ATOM 50 CA LEU A 4 46.715 8.923 5.409 1.00 0.00 C ATOM 51 C LEU A 4 46.924 10.194 4.582 1.00 0.00 C ATOM 52 O LEU A 4 46.932 11.291 5.108 1.00 0.00 O ATOM 53 CB LEU A 4 45.516 8.142 4.859 1.00 0.00 C ATOM 54 CG LEU A 4 44.226 8.948 5.070 1.00 0.00 C ATOM 55 CD1 LEU A 4 43.825 9.633 3.762 1.00 0.00 C ATOM 56 CD2 LEU A 4 43.101 8.008 5.511 1.00 0.00 C ATOM 0 H LEU A 4 46.063 10.224 6.970 1.00 0.00 H new ATOM 0 HA LEU A 4 47.608 8.301 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 4 45.659 7.939 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 4 45.438 7.177 5.360 1.00 0.00 H new ATOM 0 HG LEU A 4 44.397 9.702 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 4 42.909 10.204 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 4 44.622 10.305 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 4 43.657 8.879 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 4 42.186 8.581 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 4 42.935 7.253 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 4 43.380 7.520 6.445 1.00 0.00 H new ATOM 68 N VAL A 5 47.093 10.050 3.293 1.00 0.00 N ATOM 69 CA VAL A 5 47.303 11.244 2.421 1.00 0.00 C ATOM 70 C VAL A 5 46.690 10.979 1.045 1.00 0.00 C ATOM 71 O VAL A 5 47.356 10.519 0.137 1.00 0.00 O ATOM 72 CB VAL A 5 48.803 11.510 2.274 1.00 0.00 C ATOM 73 CG1 VAL A 5 49.019 12.807 1.492 1.00 0.00 C ATOM 74 CG2 VAL A 5 49.433 11.642 3.663 1.00 0.00 C ATOM 0 H VAL A 5 47.095 9.154 2.805 1.00 0.00 H new ATOM 0 HA VAL A 5 46.825 12.115 2.870 1.00 0.00 H new ATOM 0 HB VAL A 5 49.268 10.683 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.088 12.995 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.569 12.715 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.555 13.636 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.502 11.832 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 5 48.967 12.470 4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 5 49.280 10.718 4.221 1.00 0.00 H new ATOM 84 N GLN A 6 45.422 11.263 0.892 1.00 0.00 N ATOM 85 CA GLN A 6 44.748 11.028 -0.418 1.00 0.00 C ATOM 86 C GLN A 6 44.508 12.366 -1.125 1.00 0.00 C ATOM 87 O GLN A 6 43.417 12.904 -1.100 1.00 0.00 O ATOM 88 CB GLN A 6 43.408 10.328 -0.175 1.00 0.00 C ATOM 89 CG GLN A 6 42.972 9.598 -1.446 1.00 0.00 C ATOM 90 CD GLN A 6 41.497 9.207 -1.328 1.00 0.00 C ATOM 91 OE1 GLN A 6 40.744 9.337 -2.272 1.00 0.00 O ATOM 92 NE2 GLN A 6 41.051 8.730 -0.198 1.00 0.00 N ATOM 0 H GLN A 6 44.823 11.649 1.622 1.00 0.00 H new ATOM 0 HA GLN A 6 45.381 10.402 -1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 6 43.500 9.621 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 6 42.652 11.058 0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 6 43.121 10.238 -2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 6 43.584 8.709 -1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 6 41.684 8.621 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 6 40.070 8.466 -0.108 1.00 0.00 H new ATOM 101 N ALA A 7 45.521 12.903 -1.759 1.00 0.00 N ATOM 102 CA ALA A 7 45.362 14.200 -2.474 1.00 0.00 C ATOM 103 C ALA A 7 44.581 13.966 -3.770 1.00 0.00 C ATOM 104 O ALA A 7 43.499 14.489 -3.956 1.00 0.00 O ATOM 105 CB ALA A 7 46.743 14.779 -2.797 1.00 0.00 C ATOM 0 H ALA A 7 46.454 12.494 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 7 44.819 14.904 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 7 46.626 15.728 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 7 47.295 14.940 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 7 47.291 14.081 -3.430 1.00 0.00 H new ATOM 111 N ARG A 8 45.123 13.172 -4.658 1.00 0.00 N ATOM 112 CA ARG A 8 44.430 12.881 -5.938 1.00 0.00 C ATOM 113 C ARG A 8 44.627 11.403 -6.275 1.00 0.00 C ATOM 114 O ARG A 8 45.725 10.884 -6.191 1.00 0.00 O ATOM 115 CB ARG A 8 45.020 13.746 -7.056 1.00 0.00 C ATOM 116 CG ARG A 8 44.968 15.221 -6.651 1.00 0.00 C ATOM 117 CD ARG A 8 45.461 16.087 -7.812 1.00 0.00 C ATOM 118 NE ARG A 8 45.194 17.522 -7.512 1.00 0.00 N ATOM 119 CZ ARG A 8 45.682 18.453 -8.286 1.00 0.00 C ATOM 120 NH1 ARG A 8 45.433 18.435 -9.568 1.00 0.00 N ATOM 121 NH2 ARG A 8 46.419 19.403 -7.779 1.00 0.00 N ATOM 0 H ARG A 8 46.026 12.711 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 8 43.367 13.104 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 8 46.050 13.449 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 8 44.462 13.593 -7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 8 43.949 15.500 -6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 8 45.587 15.389 -5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 8 46.528 15.930 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 8 44.957 15.798 -8.734 1.00 0.00 H new ATOM 0 HE ARG A 8 44.630 17.777 -6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 8 44.857 17.693 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 8 45.815 19.163 -10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 8 46.614 19.418 -6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 8 46.800 20.130 -8.384 1.00 0.00 H new ATOM 135 N LYS A 9 43.574 10.721 -6.646 1.00 0.00 N ATOM 136 CA LYS A 9 43.696 9.276 -6.980 1.00 0.00 C ATOM 137 C LYS A 9 44.027 9.110 -8.469 1.00 0.00 C ATOM 138 O LYS A 9 43.411 8.325 -9.167 1.00 0.00 O ATOM 139 CB LYS A 9 42.374 8.567 -6.657 1.00 0.00 C ATOM 140 CG LYS A 9 42.662 7.218 -5.994 1.00 0.00 C ATOM 141 CD LYS A 9 41.569 6.216 -6.371 1.00 0.00 C ATOM 142 CE LYS A 9 42.090 4.791 -6.168 1.00 0.00 C ATOM 143 NZ LYS A 9 41.055 3.807 -6.606 1.00 0.00 N ATOM 0 H LYS A 9 42.634 11.107 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 9 44.499 8.834 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 9 41.770 9.187 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 9 41.797 8.419 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 9 43.636 6.846 -6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 9 42.704 7.335 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 9 40.683 6.381 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 9 41.271 6.361 -7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 9 43.008 4.645 -6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 9 42.337 4.630 -5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 41.413 2.841 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 40.190 3.940 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 40.840 3.954 -7.613 1.00 0.00 H new ATOM 157 N ARG A 10 45.000 9.841 -8.959 1.00 0.00 N ATOM 158 CA ARG A 10 45.373 9.727 -10.394 1.00 0.00 C ATOM 159 C ARG A 10 46.403 8.598 -10.566 1.00 0.00 C ATOM 160 O ARG A 10 46.043 7.468 -10.840 1.00 0.00 O ATOM 161 CB ARG A 10 45.955 11.063 -10.881 1.00 0.00 C ATOM 162 CG ARG A 10 44.881 11.851 -11.634 1.00 0.00 C ATOM 163 CD ARG A 10 43.783 12.279 -10.658 1.00 0.00 C ATOM 164 NE ARG A 10 42.755 13.074 -11.386 1.00 0.00 N ATOM 165 CZ ARG A 10 41.550 12.599 -11.541 1.00 0.00 C ATOM 166 NH1 ARG A 10 41.325 11.670 -12.429 1.00 0.00 N ATOM 167 NH2 ARG A 10 40.571 13.051 -10.805 1.00 0.00 N ATOM 0 H ARG A 10 45.550 10.511 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 10 44.490 9.492 -10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 10 46.317 11.643 -10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 10 46.810 10.882 -11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 10 45.323 12.728 -12.108 1.00 0.00 H new ATOM 0 HG3 ARG A 10 44.457 11.239 -12.430 1.00 0.00 H new ATOM 0 HD2 ARG A 10 43.324 11.402 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 10 44.211 12.871 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 10 42.994 13.991 -11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 10 42.091 11.316 -13.002 1.00 0.00 H new ATOM 0 HH12 ARG A 10 40.383 11.298 -12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 10 40.748 13.775 -10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 10 39.629 12.680 -10.926 1.00 0.00 H new ATOM 181 N LYS A 11 47.674 8.886 -10.400 1.00 0.00 N ATOM 182 CA LYS A 11 48.712 7.829 -10.545 1.00 0.00 C ATOM 183 C LYS A 11 50.007 8.291 -9.866 1.00 0.00 C ATOM 184 O LYS A 11 51.078 8.232 -10.442 1.00 0.00 O ATOM 185 CB LYS A 11 48.967 7.556 -12.031 1.00 0.00 C ATOM 186 CG LYS A 11 49.358 8.857 -12.735 1.00 0.00 C ATOM 187 CD LYS A 11 49.886 8.541 -14.137 1.00 0.00 C ATOM 188 CE LYS A 11 51.192 7.750 -14.027 1.00 0.00 C ATOM 189 NZ LYS A 11 52.117 8.159 -15.121 1.00 0.00 N ATOM 0 H LYS A 11 48.032 9.813 -10.170 1.00 0.00 H new ATOM 0 HA LYS A 11 48.366 6.910 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 11 49.761 6.817 -12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 11 48.073 7.136 -12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 48.496 9.521 -12.801 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.120 9.381 -12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 11 49.146 7.966 -14.694 1.00 0.00 H new ATOM 0 HD3 LYS A 11 50.054 9.465 -14.690 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.657 7.929 -13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.988 6.681 -14.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.004 7.621 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.673 7.966 -16.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.321 9.176 -15.041 1.00 0.00 H new ATOM 203 N ARG A 12 49.913 8.753 -8.643 1.00 0.00 N ATOM 204 CA ARG A 12 51.135 9.225 -7.920 1.00 0.00 C ATOM 205 C ARG A 12 50.923 9.125 -6.404 1.00 0.00 C ATOM 206 O ARG A 12 51.828 8.767 -5.673 1.00 0.00 O ATOM 207 CB ARG A 12 51.427 10.683 -8.303 1.00 0.00 C ATOM 208 CG ARG A 12 52.607 10.739 -9.277 1.00 0.00 C ATOM 209 CD ARG A 12 53.383 12.040 -9.063 1.00 0.00 C ATOM 210 NE ARG A 12 54.322 11.878 -7.917 1.00 0.00 N ATOM 211 CZ ARG A 12 55.610 11.841 -8.126 1.00 0.00 C ATOM 212 NH1 ARG A 12 56.252 12.933 -8.439 1.00 0.00 N ATOM 213 NH2 ARG A 12 56.256 10.712 -8.021 1.00 0.00 N ATOM 0 H ARG A 12 49.043 8.824 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 12 51.980 8.597 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 12 50.545 11.132 -8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 12 51.654 11.265 -7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 12 53.262 9.882 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 12 52.247 10.682 -10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 12 53.936 12.298 -9.966 1.00 0.00 H new ATOM 0 HD3 ARG A 12 52.692 12.860 -8.867 1.00 0.00 H new ATOM 0 HE ARG A 12 53.958 11.796 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 12 55.747 13.816 -8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 12 57.258 12.904 -8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 12 55.754 9.858 -7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 12 57.262 10.683 -8.184 1.00 0.00 H new ATOM 227 N THR A 13 49.743 9.438 -5.923 1.00 0.00 N ATOM 228 CA THR A 13 49.490 9.359 -4.455 1.00 0.00 C ATOM 229 C THR A 13 49.289 7.896 -4.068 1.00 0.00 C ATOM 230 O THR A 13 49.634 7.481 -2.977 1.00 0.00 O ATOM 231 CB THR A 13 48.230 10.156 -4.103 1.00 0.00 C ATOM 232 OG1 THR A 13 48.350 11.476 -4.613 1.00 0.00 O ATOM 233 CG2 THR A 13 48.059 10.207 -2.582 1.00 0.00 C ATOM 0 H THR A 13 48.948 9.744 -6.484 1.00 0.00 H new ATOM 0 HA THR A 13 50.339 9.776 -3.913 1.00 0.00 H new ATOM 0 HB THR A 13 47.360 9.672 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 13 47.596 11.666 -5.210 1.00 0.00 H new ATOM 0 HG21 THR A 13 47.162 10.775 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A 13 47.966 9.193 -2.192 1.00 0.00 H new ATOM 0 HG23 THR A 13 48.928 10.689 -2.134 1.00 0.00 H new ATOM 241 N SER A 14 48.752 7.108 -4.963 1.00 0.00 N ATOM 242 CA SER A 14 48.546 5.666 -4.665 1.00 0.00 C ATOM 243 C SER A 14 49.865 4.932 -4.900 1.00 0.00 C ATOM 244 O SER A 14 50.871 5.540 -5.217 1.00 0.00 O ATOM 245 CB SER A 14 47.469 5.096 -5.590 1.00 0.00 C ATOM 246 OG SER A 14 46.298 5.898 -5.499 1.00 0.00 O ATOM 0 H SER A 14 48.447 7.406 -5.890 1.00 0.00 H new ATOM 0 HA SER A 14 48.225 5.540 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 14 47.830 5.075 -6.618 1.00 0.00 H new ATOM 0 HB3 SER A 14 47.241 4.067 -5.311 1.00 0.00 H new ATOM 0 HG SER A 14 45.607 5.536 -6.092 1.00 0.00 H new ATOM 252 N ILE A 15 49.871 3.636 -4.749 1.00 0.00 N ATOM 253 CA ILE A 15 51.128 2.863 -4.964 1.00 0.00 C ATOM 254 C ILE A 15 51.252 2.489 -6.437 1.00 0.00 C ATOM 255 O ILE A 15 50.885 1.402 -6.845 1.00 0.00 O ATOM 256 CB ILE A 15 51.115 1.604 -4.079 1.00 0.00 C ATOM 257 CG1 ILE A 15 51.133 2.026 -2.601 1.00 0.00 C ATOM 258 CG2 ILE A 15 52.342 0.726 -4.369 1.00 0.00 C ATOM 259 CD1 ILE A 15 52.390 2.858 -2.305 1.00 0.00 C ATOM 0 H ILE A 15 49.059 3.078 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 15 51.989 3.472 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 15 50.214 1.031 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 15 50.240 2.607 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 15 51.113 1.143 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 15 52.315 -0.159 -3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 15 52.332 0.422 -5.416 1.00 0.00 H new ATOM 0 HG23 ILE A 15 53.251 1.292 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 15 52.393 3.152 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 15 53.278 2.263 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 15 52.392 3.750 -2.931 1.00 0.00 H new ATOM 271 N GLU A 16 51.793 3.378 -7.233 1.00 0.00 N ATOM 272 CA GLU A 16 51.976 3.078 -8.671 1.00 0.00 C ATOM 273 C GLU A 16 52.993 1.949 -8.789 1.00 0.00 C ATOM 274 O GLU A 16 53.824 1.769 -7.923 1.00 0.00 O ATOM 275 CB GLU A 16 52.487 4.325 -9.403 1.00 0.00 C ATOM 276 CG GLU A 16 51.748 4.483 -10.740 1.00 0.00 C ATOM 277 CD GLU A 16 52.748 4.810 -11.851 1.00 0.00 C ATOM 278 OE1 GLU A 16 53.221 5.934 -11.883 1.00 0.00 O ATOM 279 OE2 GLU A 16 53.023 3.931 -12.651 1.00 0.00 O ATOM 0 H GLU A 16 52.115 4.300 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 16 51.029 2.781 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 16 52.333 5.209 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.560 4.241 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.212 3.565 -10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.004 5.276 -10.663 1.00 0.00 H new ATOM 286 N ASN A 17 52.928 1.186 -9.839 1.00 0.00 N ATOM 287 CA ASN A 17 53.893 0.059 -10.008 1.00 0.00 C ATOM 288 C ASN A 17 55.321 0.607 -10.042 1.00 0.00 C ATOM 289 O ASN A 17 56.266 -0.084 -9.710 1.00 0.00 O ATOM 290 CB ASN A 17 53.590 -0.685 -11.310 1.00 0.00 C ATOM 291 CG ASN A 17 54.257 -2.060 -11.282 1.00 0.00 C ATOM 292 OD1 ASN A 17 55.107 -2.353 -12.100 1.00 0.00 O ATOM 293 ND2 ASN A 17 53.904 -2.923 -10.370 1.00 0.00 N ATOM 0 H ASN A 17 52.248 1.291 -10.592 1.00 0.00 H new ATOM 0 HA ASN A 17 53.795 -0.632 -9.170 1.00 0.00 H new ATOM 0 HB2 ASN A 17 52.513 -0.795 -11.436 1.00 0.00 H new ATOM 0 HB3 ASN A 17 53.954 -0.111 -12.162 1.00 0.00 H new ATOM 0 HD21 ASN A 17 54.341 -3.844 -10.343 1.00 0.00 H new ATOM 0 HD22 ASN A 17 53.191 -2.677 -9.684 1.00 0.00 H new ATOM 300 N ARG A 18 55.480 1.848 -10.426 1.00 0.00 N ATOM 301 CA ARG A 18 56.839 2.448 -10.463 1.00 0.00 C ATOM 302 C ARG A 18 57.213 2.917 -9.057 1.00 0.00 C ATOM 303 O ARG A 18 58.375 2.939 -8.698 1.00 0.00 O ATOM 304 CB ARG A 18 56.851 3.639 -11.428 1.00 0.00 C ATOM 305 CG ARG A 18 57.403 3.197 -12.787 1.00 0.00 C ATOM 306 CD ARG A 18 57.601 4.422 -13.682 1.00 0.00 C ATOM 307 NE ARG A 18 58.922 5.045 -13.387 1.00 0.00 N ATOM 308 CZ ARG A 18 60.023 4.394 -13.645 1.00 0.00 C ATOM 309 NH1 ARG A 18 60.219 3.891 -14.833 1.00 0.00 N ATOM 310 NH2 ARG A 18 60.929 4.247 -12.716 1.00 0.00 N ATOM 0 H ARG A 18 54.724 2.469 -10.715 1.00 0.00 H new ATOM 0 HA ARG A 18 57.561 1.707 -10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.842 4.034 -11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.463 4.444 -11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.350 2.674 -12.654 1.00 0.00 H new ATOM 0 HG3 ARG A 18 56.715 2.496 -13.260 1.00 0.00 H new ATOM 0 HD2 ARG A 18 57.550 4.131 -14.731 1.00 0.00 H new ATOM 0 HD3 ARG A 18 56.801 5.143 -13.512 1.00 0.00 H new ATOM 0 HE ARG A 18 58.966 5.981 -12.983 1.00 0.00 H new ATOM 0 HH11 ARG A 18 59.512 4.007 -15.559 1.00 0.00 H new ATOM 0 HH12 ARG A 18 61.079 3.382 -15.036 1.00 0.00 H new ATOM 0 HH21 ARG A 18 60.776 4.641 -11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 18 61.789 3.738 -12.919 1.00 0.00 H new ATOM 324 N VAL A 19 56.240 3.295 -8.256 1.00 0.00 N ATOM 325 CA VAL A 19 56.557 3.763 -6.875 1.00 0.00 C ATOM 326 C VAL A 19 57.060 2.593 -6.036 1.00 0.00 C ATOM 327 O VAL A 19 58.024 2.723 -5.313 1.00 0.00 O ATOM 328 CB VAL A 19 55.321 4.447 -6.225 1.00 0.00 C ATOM 329 CG1 VAL A 19 54.513 3.505 -5.309 1.00 0.00 C ATOM 330 CG2 VAL A 19 55.820 5.619 -5.379 1.00 0.00 C ATOM 0 H VAL A 19 55.250 3.298 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 19 57.348 4.511 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 19 54.660 4.762 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 19 53.665 4.046 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 19 54.151 2.656 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 19 55.152 3.147 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 19 54.971 6.117 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 19 56.495 5.249 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 19 56.350 6.327 -6.015 1.00 0.00 H new ATOM 340 N ARG A 20 56.399 1.464 -6.105 1.00 0.00 N ATOM 341 CA ARG A 20 56.848 0.297 -5.290 1.00 0.00 C ATOM 342 C ARG A 20 58.244 -0.118 -5.725 1.00 0.00 C ATOM 343 O ARG A 20 59.102 -0.385 -4.893 1.00 0.00 O ATOM 344 CB ARG A 20 55.868 -0.879 -5.433 1.00 0.00 C ATOM 345 CG ARG A 20 55.647 -1.221 -6.911 1.00 0.00 C ATOM 346 CD ARG A 20 54.826 -2.506 -7.022 1.00 0.00 C ATOM 347 NE ARG A 20 53.493 -2.309 -6.390 1.00 0.00 N ATOM 348 CZ ARG A 20 52.628 -3.285 -6.385 1.00 0.00 C ATOM 349 NH1 ARG A 20 52.820 -4.322 -5.617 1.00 0.00 N ATOM 350 NH2 ARG A 20 51.575 -3.228 -7.154 1.00 0.00 N ATOM 0 H ARG A 20 55.576 1.302 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 20 56.870 0.588 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 20 56.258 -1.750 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 20 54.916 -0.625 -4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 20 55.129 -0.402 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 20 56.606 -1.346 -7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 20 54.705 -2.782 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 20 55.352 -3.327 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 20 53.257 -1.414 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 20 53.646 -4.369 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.144 -5.086 -5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.428 -2.420 -7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.899 -3.991 -7.150 1.00 0.00 H new ATOM 364 N TRP A 21 58.507 -0.155 -7.007 1.00 0.00 N ATOM 365 CA TRP A 21 59.874 -0.537 -7.431 1.00 0.00 C ATOM 366 C TRP A 21 60.802 0.659 -7.195 1.00 0.00 C ATOM 367 O TRP A 21 62.006 0.510 -7.148 1.00 0.00 O ATOM 368 CB TRP A 21 59.892 -1.063 -8.879 1.00 0.00 C ATOM 369 CG TRP A 21 60.099 -2.553 -8.806 1.00 0.00 C ATOM 370 CD1 TRP A 21 60.911 -3.288 -9.601 1.00 0.00 C ATOM 371 CD2 TRP A 21 59.518 -3.486 -7.844 1.00 0.00 C ATOM 372 NE1 TRP A 21 60.868 -4.612 -9.181 1.00 0.00 N ATOM 373 CE2 TRP A 21 60.022 -4.779 -8.098 1.00 0.00 C ATOM 374 CE3 TRP A 21 58.610 -3.328 -6.784 1.00 0.00 C ATOM 375 CZ2 TRP A 21 59.638 -5.876 -7.313 1.00 0.00 C ATOM 376 CZ3 TRP A 21 58.224 -4.416 -5.999 1.00 0.00 C ATOM 377 CH2 TRP A 21 58.739 -5.690 -6.260 1.00 0.00 C ATOM 0 H TRP A 21 57.849 0.058 -7.756 1.00 0.00 H new ATOM 0 HA TRP A 21 60.240 -1.372 -6.833 1.00 0.00 H new ATOM 0 HB2 TRP A 21 58.956 -0.828 -9.386 1.00 0.00 H new ATOM 0 HB3 TRP A 21 60.691 -0.591 -9.451 1.00 0.00 H new ATOM 0 HD1 TRP A 21 61.496 -2.908 -10.426 1.00 0.00 H new ATOM 0 HE1 TRP A 21 61.395 -5.368 -9.617 1.00 0.00 H new ATOM 0 HE3 TRP A 21 58.204 -2.350 -6.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.035 -6.859 -7.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 57.526 -4.274 -5.188 1.00 0.00 H new ATOM 0 HH2 TRP A 21 58.442 -6.529 -5.648 1.00 0.00 H new ATOM 388 N SER A 22 60.243 1.831 -6.940 1.00 0.00 N ATOM 389 CA SER A 22 61.083 2.997 -6.581 1.00 0.00 C ATOM 390 C SER A 22 61.623 2.690 -5.179 1.00 0.00 C ATOM 391 O SER A 22 62.775 2.928 -4.868 1.00 0.00 O ATOM 392 CB SER A 22 60.239 4.273 -6.551 1.00 0.00 C ATOM 393 OG SER A 22 61.098 5.405 -6.611 1.00 0.00 O ATOM 0 H SER A 22 59.240 2.014 -6.969 1.00 0.00 H new ATOM 0 HA SER A 22 61.884 3.157 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 22 59.545 4.284 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 22 59.639 4.305 -5.642 1.00 0.00 H new ATOM 0 HG SER A 22 60.561 6.225 -6.594 1.00 0.00 H new ATOM 399 N LEU A 23 60.791 2.086 -4.342 1.00 0.00 N ATOM 400 CA LEU A 23 61.243 1.675 -2.977 1.00 0.00 C ATOM 401 C LEU A 23 62.451 0.768 -3.158 1.00 0.00 C ATOM 402 O LEU A 23 63.444 0.884 -2.479 1.00 0.00 O ATOM 403 CB LEU A 23 60.160 0.838 -2.269 1.00 0.00 C ATOM 404 CG LEU A 23 58.866 1.622 -2.066 1.00 0.00 C ATOM 405 CD1 LEU A 23 57.701 0.630 -2.019 1.00 0.00 C ATOM 406 CD2 LEU A 23 58.923 2.367 -0.734 1.00 0.00 C ATOM 0 H LEU A 23 59.819 1.864 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 23 61.460 2.566 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.953 -0.056 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.536 0.504 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 23 58.735 2.335 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.767 1.173 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 23 57.657 0.076 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 23 57.848 -0.065 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 23 57.999 2.926 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.044 1.651 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.767 3.056 -0.739 1.00 0.00 H new ATOM 418 N GLU A 24 62.338 -0.145 -4.085 1.00 0.00 N ATOM 419 CA GLU A 24 63.452 -1.109 -4.358 1.00 0.00 C ATOM 420 C GLU A 24 64.763 -0.377 -4.656 1.00 0.00 C ATOM 421 O GLU A 24 65.757 -0.600 -3.997 1.00 0.00 O ATOM 422 CB GLU A 24 63.078 -1.982 -5.561 1.00 0.00 C ATOM 423 CG GLU A 24 63.854 -3.304 -5.503 1.00 0.00 C ATOM 424 CD GLU A 24 62.931 -4.462 -5.890 1.00 0.00 C ATOM 425 OE1 GLU A 24 62.242 -4.962 -5.016 1.00 0.00 O ATOM 426 OE2 GLU A 24 62.929 -4.830 -7.054 1.00 0.00 O ATOM 0 H GLU A 24 61.514 -0.268 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 24 63.598 -1.724 -3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 24 62.006 -2.178 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.305 -1.456 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 64.708 -3.265 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.249 -3.461 -4.499 1.00 0.00 H new ATOM 433 N THR A 25 64.786 0.475 -5.650 1.00 0.00 N ATOM 434 CA THR A 25 66.050 1.198 -5.990 1.00 0.00 C ATOM 435 C THR A 25 66.551 1.993 -4.776 1.00 0.00 C ATOM 436 O THR A 25 67.717 2.329 -4.694 1.00 0.00 O ATOM 437 CB THR A 25 65.804 2.149 -7.164 1.00 0.00 C ATOM 438 OG1 THR A 25 66.985 2.893 -7.427 1.00 0.00 O ATOM 439 CG2 THR A 25 64.665 3.105 -6.820 1.00 0.00 C ATOM 0 H THR A 25 63.985 0.701 -6.240 1.00 0.00 H new ATOM 0 HA THR A 25 66.808 0.467 -6.270 1.00 0.00 H new ATOM 0 HB THR A 25 65.535 1.570 -8.047 1.00 0.00 H new ATOM 0 HG1 THR A 25 66.828 3.501 -8.180 1.00 0.00 H new ATOM 0 HG21 THR A 25 64.492 3.781 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 25 63.758 2.534 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 25 64.930 3.684 -5.935 1.00 0.00 H new ATOM 447 N MET A 26 65.684 2.301 -3.838 1.00 0.00 N ATOM 448 CA MET A 26 66.127 3.079 -2.641 1.00 0.00 C ATOM 449 C MET A 26 66.686 2.137 -1.562 1.00 0.00 C ATOM 450 O MET A 26 67.523 2.526 -0.769 1.00 0.00 O ATOM 451 CB MET A 26 64.934 3.851 -2.072 1.00 0.00 C ATOM 452 CG MET A 26 65.435 4.999 -1.194 1.00 0.00 C ATOM 453 SD MET A 26 64.044 5.709 -0.278 1.00 0.00 S ATOM 454 CE MET A 26 63.984 7.296 -1.146 1.00 0.00 C ATOM 0 H MET A 26 64.696 2.048 -3.851 1.00 0.00 H new ATOM 0 HA MET A 26 66.912 3.772 -2.942 1.00 0.00 H new ATOM 0 HB2 MET A 26 64.321 4.242 -2.884 1.00 0.00 H new ATOM 0 HB3 MET A 26 64.301 3.183 -1.488 1.00 0.00 H new ATOM 0 HG2 MET A 26 66.194 4.636 -0.501 1.00 0.00 H new ATOM 0 HG3 MET A 26 65.906 5.764 -1.811 1.00 0.00 H new ATOM 0 HE1 MET A 26 63.180 7.906 -0.734 1.00 0.00 H new ATOM 0 HE2 MET A 26 64.934 7.815 -1.021 1.00 0.00 H new ATOM 0 HE3 MET A 26 63.801 7.124 -2.207 1.00 0.00 H new ATOM 464 N PHE A 27 66.220 0.912 -1.514 1.00 0.00 N ATOM 465 CA PHE A 27 66.710 -0.047 -0.475 1.00 0.00 C ATOM 466 C PHE A 27 67.893 -0.875 -0.983 1.00 0.00 C ATOM 467 O PHE A 27 68.542 -1.559 -0.213 1.00 0.00 O ATOM 468 CB PHE A 27 65.573 -0.986 -0.062 1.00 0.00 C ATOM 469 CG PHE A 27 64.694 -0.253 0.917 1.00 0.00 C ATOM 470 CD1 PHE A 27 65.158 -0.007 2.215 1.00 0.00 C ATOM 471 CD2 PHE A 27 63.426 0.196 0.528 1.00 0.00 C ATOM 472 CE1 PHE A 27 64.353 0.684 3.125 1.00 0.00 C ATOM 473 CE2 PHE A 27 62.621 0.888 1.439 1.00 0.00 C ATOM 474 CZ PHE A 27 63.086 1.130 2.738 1.00 0.00 C ATOM 0 H PHE A 27 65.519 0.534 -2.152 1.00 0.00 H new ATOM 0 HA PHE A 27 67.047 0.535 0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 27 64.997 -1.293 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 27 65.974 -1.893 0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 27 66.137 -0.351 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 27 63.070 0.008 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 27 64.710 0.873 4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 27 61.643 1.235 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 27 62.464 1.663 3.442 1.00 0.00 H new ATOM 484 N LEU A 28 68.173 -0.841 -2.261 1.00 0.00 N ATOM 485 CA LEU A 28 69.307 -1.648 -2.795 1.00 0.00 C ATOM 486 C LEU A 28 70.607 -0.832 -2.802 1.00 0.00 C ATOM 487 O LEU A 28 71.546 -1.160 -3.502 1.00 0.00 O ATOM 488 CB LEU A 28 68.951 -2.127 -4.200 1.00 0.00 C ATOM 489 CG LEU A 28 67.692 -2.996 -4.110 1.00 0.00 C ATOM 490 CD1 LEU A 28 67.202 -3.350 -5.512 1.00 0.00 C ATOM 491 CD2 LEU A 28 68.008 -4.282 -3.338 1.00 0.00 C ATOM 0 H LEU A 28 67.666 -0.291 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 28 69.474 -2.511 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 28 68.778 -1.276 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 28 69.776 -2.698 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 28 66.913 -2.441 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.307 -3.968 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.969 -2.436 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 28 67.980 -3.900 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 28 67.111 -4.898 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 28 68.792 -4.834 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 28 68.346 -4.029 -2.333 1.00 0.00 H new ATOM 503 N LYS A 29 70.680 0.206 -2.002 1.00 0.00 N ATOM 504 CA LYS A 29 71.928 1.020 -1.930 1.00 0.00 C ATOM 505 C LYS A 29 72.629 0.686 -0.612 1.00 0.00 C ATOM 506 O LYS A 29 73.830 0.506 -0.552 1.00 0.00 O ATOM 507 CB LYS A 29 71.583 2.520 -1.986 1.00 0.00 C ATOM 508 CG LYS A 29 70.733 2.927 -0.772 1.00 0.00 C ATOM 509 CD LYS A 29 70.231 4.364 -0.952 1.00 0.00 C ATOM 510 CE LYS A 29 69.295 4.442 -2.163 1.00 0.00 C ATOM 511 NZ LYS A 29 70.003 5.107 -3.294 1.00 0.00 N ATOM 0 H LYS A 29 69.924 0.523 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 29 72.581 0.792 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 29 72.500 3.109 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 29 71.041 2.740 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 29 69.888 2.247 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 29 71.324 2.850 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 29 69.706 4.690 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 29 71.076 5.039 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 29 68.978 3.441 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 68.394 4.999 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 69.616 4.763 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 69.870 6.136 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 71.018 4.886 -3.246 1.00 0.00 H new ATOM 525 N CYS A 30 71.859 0.585 0.438 1.00 0.00 N ATOM 526 CA CYS A 30 72.412 0.244 1.770 1.00 0.00 C ATOM 527 C CYS A 30 71.409 -0.695 2.472 1.00 0.00 C ATOM 528 O CYS A 30 70.238 -0.378 2.524 1.00 0.00 O ATOM 529 CB CYS A 30 72.580 1.521 2.598 1.00 0.00 C ATOM 530 SG CYS A 30 73.820 2.586 1.820 1.00 0.00 S ATOM 0 H CYS A 30 70.849 0.729 0.423 1.00 0.00 H new ATOM 0 HA CYS A 30 73.383 -0.240 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 30 71.628 2.047 2.672 1.00 0.00 H new ATOM 0 HB3 CYS A 30 72.886 1.271 3.614 1.00 0.00 H new ATOM 0 HG CYS A 30 74.314 1.987 0.777 1.00 0.00 H new ATOM 536 N PRO A 31 71.866 -1.823 2.993 1.00 0.00 N ATOM 537 CA PRO A 31 70.980 -2.780 3.680 1.00 0.00 C ATOM 538 C PRO A 31 70.856 -2.414 5.159 1.00 0.00 C ATOM 539 O PRO A 31 70.668 -3.280 5.995 1.00 0.00 O ATOM 540 CB PRO A 31 71.731 -4.105 3.564 1.00 0.00 C ATOM 541 CG PRO A 31 73.223 -3.738 3.389 1.00 0.00 C ATOM 542 CD PRO A 31 73.273 -2.265 2.946 1.00 0.00 C ATOM 0 HA PRO A 31 69.975 -2.801 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 31 71.582 -4.717 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 31 71.370 -4.685 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 31 73.767 -3.879 4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 31 73.694 -4.381 2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 31 73.899 -1.670 3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 31 73.688 -2.165 1.943 1.00 0.00 H new ATOM 550 N LYS A 32 70.990 -1.153 5.501 1.00 0.00 N ATOM 551 CA LYS A 32 70.914 -0.765 6.931 1.00 0.00 C ATOM 552 C LYS A 32 69.829 0.314 7.178 1.00 0.00 C ATOM 553 O LYS A 32 70.106 1.298 7.839 1.00 0.00 O ATOM 554 CB LYS A 32 72.280 -0.213 7.355 1.00 0.00 C ATOM 555 CG LYS A 32 72.694 0.913 6.398 1.00 0.00 C ATOM 556 CD LYS A 32 73.869 1.689 6.997 1.00 0.00 C ATOM 557 CE LYS A 32 75.174 0.955 6.690 1.00 0.00 C ATOM 558 NZ LYS A 32 76.304 1.925 6.707 1.00 0.00 N ATOM 0 H LYS A 32 71.148 -0.385 4.849 1.00 0.00 H new ATOM 0 HA LYS A 32 70.646 -1.645 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 32 72.231 0.163 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 32 73.026 -1.008 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 32 72.975 0.497 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 32 71.853 1.584 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 32 73.901 2.697 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 32 73.741 1.789 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 32 75.344 0.169 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 32 75.111 0.471 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 77.193 1.427 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 76.142 2.659 5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 76.368 2.367 7.646 1.00 0.00 H new ATOM 572 N PRO A 33 68.615 0.122 6.679 1.00 0.00 N ATOM 573 CA PRO A 33 67.542 1.105 6.906 1.00 0.00 C ATOM 574 C PRO A 33 66.999 0.957 8.328 1.00 0.00 C ATOM 575 O PRO A 33 66.709 -0.136 8.779 1.00 0.00 O ATOM 576 CB PRO A 33 66.473 0.738 5.877 1.00 0.00 C ATOM 577 CG PRO A 33 66.714 -0.740 5.513 1.00 0.00 C ATOM 578 CD PRO A 33 68.187 -1.045 5.866 1.00 0.00 C ATOM 0 HA PRO A 33 67.877 2.137 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 33 65.473 0.880 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 33 66.548 1.373 4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 33 66.039 -1.391 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 33 66.525 -0.914 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 33 68.278 -1.976 6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 33 68.798 -1.152 4.969 1.00 0.00 H new ATOM 586 N SER A 34 66.860 2.047 9.031 1.00 0.00 N ATOM 587 CA SER A 34 66.335 1.987 10.422 1.00 0.00 C ATOM 588 C SER A 34 64.878 1.566 10.393 1.00 0.00 C ATOM 589 O SER A 34 64.143 1.941 9.503 1.00 0.00 O ATOM 590 CB SER A 34 66.446 3.373 11.059 1.00 0.00 C ATOM 591 OG SER A 34 67.709 3.497 11.696 1.00 0.00 O ATOM 0 H SER A 34 67.090 2.983 8.698 1.00 0.00 H new ATOM 0 HA SER A 34 66.912 1.266 11.001 1.00 0.00 H new ATOM 0 HB2 SER A 34 66.332 4.146 10.299 1.00 0.00 H new ATOM 0 HB3 SER A 34 65.645 3.518 11.783 1.00 0.00 H new ATOM 0 HG SER A 34 67.784 4.385 12.104 1.00 0.00 H new ATOM 597 N LEU A 35 64.440 0.820 11.380 1.00 0.00 N ATOM 598 CA LEU A 35 62.998 0.427 11.429 1.00 0.00 C ATOM 599 C LEU A 35 62.179 1.713 11.542 1.00 0.00 C ATOM 600 O LEU A 35 61.065 1.812 11.053 1.00 0.00 O ATOM 601 CB LEU A 35 62.740 -0.465 12.646 1.00 0.00 C ATOM 602 CG LEU A 35 63.444 -1.813 12.440 1.00 0.00 C ATOM 603 CD1 LEU A 35 64.624 -1.937 13.408 1.00 0.00 C ATOM 604 CD2 LEU A 35 62.458 -2.959 12.695 1.00 0.00 C ATOM 0 H LEU A 35 65.014 0.470 12.147 1.00 0.00 H new ATOM 0 HA LEU A 35 62.720 -0.131 10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 35 63.110 0.018 13.551 1.00 0.00 H new ATOM 0 HB3 LEU A 35 61.669 -0.617 12.780 1.00 0.00 H new ATOM 0 HG LEU A 35 63.808 -1.868 11.414 1.00 0.00 H new ATOM 0 HD11 LEU A 35 65.119 -2.896 13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 35 65.332 -1.129 13.223 1.00 0.00 H new ATOM 0 HD13 LEU A 35 64.261 -1.874 14.434 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.963 -3.913 12.547 1.00 0.00 H new ATOM 0 HD22 LEU A 35 62.087 -2.899 13.718 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.621 -2.880 12.001 1.00 0.00 H new ATOM 616 N GLN A 36 62.769 2.722 12.139 1.00 0.00 N ATOM 617 CA GLN A 36 62.081 4.036 12.244 1.00 0.00 C ATOM 618 C GLN A 36 62.021 4.611 10.834 1.00 0.00 C ATOM 619 O GLN A 36 61.037 5.197 10.425 1.00 0.00 O ATOM 620 CB GLN A 36 62.876 4.969 13.161 1.00 0.00 C ATOM 621 CG GLN A 36 62.682 4.538 14.617 1.00 0.00 C ATOM 622 CD GLN A 36 63.745 3.503 14.991 1.00 0.00 C ATOM 623 OE1 GLN A 36 63.495 2.315 14.946 1.00 0.00 O ATOM 624 NE2 GLN A 36 64.930 3.906 15.362 1.00 0.00 N ATOM 0 H GLN A 36 63.699 2.686 12.557 1.00 0.00 H new ATOM 0 HA GLN A 36 61.081 3.927 12.665 1.00 0.00 H new ATOM 0 HB2 GLN A 36 63.934 4.939 12.899 1.00 0.00 H new ATOM 0 HB3 GLN A 36 62.543 5.998 13.028 1.00 0.00 H new ATOM 0 HG2 GLN A 36 62.755 5.403 15.276 1.00 0.00 H new ATOM 0 HG3 GLN A 36 61.686 4.117 14.753 1.00 0.00 H new ATOM 0 HE21 GLN A 36 65.141 4.903 15.400 1.00 0.00 H new ATOM 0 HE22 GLN A 36 65.645 3.224 15.614 1.00 0.00 H new ATOM 633 N GLN A 37 63.072 4.405 10.077 1.00 0.00 N ATOM 634 CA GLN A 37 63.100 4.885 8.671 1.00 0.00 C ATOM 635 C GLN A 37 62.008 4.156 7.884 1.00 0.00 C ATOM 636 O GLN A 37 61.470 4.688 6.935 1.00 0.00 O ATOM 637 CB GLN A 37 64.465 4.584 8.048 1.00 0.00 C ATOM 638 CG GLN A 37 64.529 5.194 6.646 1.00 0.00 C ATOM 639 CD GLN A 37 65.966 5.138 6.128 1.00 0.00 C ATOM 640 OE1 GLN A 37 66.753 6.026 6.390 1.00 0.00 O ATOM 641 NE2 GLN A 37 66.345 4.125 5.399 1.00 0.00 N ATOM 0 H GLN A 37 63.916 3.920 10.381 1.00 0.00 H new ATOM 0 HA GLN A 37 62.927 5.961 8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.260 4.993 8.671 1.00 0.00 H new ATOM 0 HB3 GLN A 37 64.624 3.507 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 37 63.867 4.651 5.971 1.00 0.00 H new ATOM 0 HG3 GLN A 37 64.181 6.227 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 37 65.684 3.380 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.302 4.078 5.049 1.00 0.00 H new ATOM 650 N ILE A 38 61.658 2.948 8.287 1.00 0.00 N ATOM 651 CA ILE A 38 60.578 2.212 7.569 1.00 0.00 C ATOM 652 C ILE A 38 59.256 2.900 7.905 1.00 0.00 C ATOM 653 O ILE A 38 58.363 2.969 7.089 1.00 0.00 O ATOM 654 CB ILE A 38 60.580 0.709 7.965 1.00 0.00 C ATOM 655 CG1 ILE A 38 61.664 -0.020 7.151 1.00 0.00 C ATOM 656 CG2 ILE A 38 59.216 0.044 7.672 1.00 0.00 C ATOM 657 CD1 ILE A 38 61.389 0.128 5.643 1.00 0.00 C ATOM 0 H ILE A 38 62.074 2.452 9.075 1.00 0.00 H new ATOM 0 HA ILE A 38 60.736 2.238 6.491 1.00 0.00 H new ATOM 0 HB ILE A 38 60.777 0.640 9.035 1.00 0.00 H new ATOM 0 HG12 ILE A 38 62.645 0.389 7.391 1.00 0.00 H new ATOM 0 HG13 ILE A 38 61.684 -1.076 7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 38 59.254 -1.006 7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 38 58.435 0.549 8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 38 58.996 0.119 6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 38 62.163 -0.392 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 38 60.416 -0.303 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 38 61.393 1.184 5.374 1.00 0.00 H new ATOM 669 N THR A 39 59.147 3.449 9.089 1.00 0.00 N ATOM 670 CA THR A 39 57.902 4.188 9.457 1.00 0.00 C ATOM 671 C THR A 39 57.806 5.401 8.525 1.00 0.00 C ATOM 672 O THR A 39 56.750 5.740 8.019 1.00 0.00 O ATOM 673 CB THR A 39 57.982 4.654 10.913 1.00 0.00 C ATOM 674 OG1 THR A 39 58.440 3.582 11.726 1.00 0.00 O ATOM 675 CG2 THR A 39 56.595 5.096 11.381 1.00 0.00 C ATOM 0 H THR A 39 59.864 3.417 9.814 1.00 0.00 H new ATOM 0 HA THR A 39 57.026 3.548 9.354 1.00 0.00 H new ATOM 0 HB THR A 39 58.675 5.491 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 39 58.494 3.878 12.659 1.00 0.00 H new ATOM 0 HG21 THR A 39 56.650 5.428 12.418 1.00 0.00 H new ATOM 0 HG22 THR A 39 56.244 5.916 10.755 1.00 0.00 H new ATOM 0 HG23 THR A 39 55.901 4.259 11.304 1.00 0.00 H new ATOM 683 N HIS A 40 58.930 6.021 8.264 1.00 0.00 N ATOM 684 CA HIS A 40 58.961 7.182 7.328 1.00 0.00 C ATOM 685 C HIS A 40 58.684 6.668 5.913 1.00 0.00 C ATOM 686 O HIS A 40 58.194 7.393 5.071 1.00 0.00 O ATOM 687 CB HIS A 40 60.343 7.851 7.380 1.00 0.00 C ATOM 688 CG HIS A 40 60.239 9.186 8.069 1.00 0.00 C ATOM 689 ND1 HIS A 40 60.649 9.378 9.379 1.00 0.00 N ATOM 690 CD2 HIS A 40 59.771 10.403 7.640 1.00 0.00 C ATOM 691 CE1 HIS A 40 60.422 10.668 9.690 1.00 0.00 C ATOM 692 NE2 HIS A 40 59.887 11.337 8.665 1.00 0.00 N ATOM 0 H HIS A 40 59.834 5.769 8.664 1.00 0.00 H new ATOM 0 HA HIS A 40 58.207 7.916 7.612 1.00 0.00 H new ATOM 0 HB2 HIS A 40 61.047 7.211 7.912 1.00 0.00 H new ATOM 0 HB3 HIS A 40 60.732 7.982 6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 40 59.373 10.605 6.656 1.00 0.00 H new ATOM 0 HE1 HIS A 40 60.645 11.108 10.651 1.00 0.00 H new ATOM 0 HE2 HIS A 40 59.621 12.321 8.639 1.00 0.00 H new ATOM 700 N ILE A 41 58.971 5.411 5.655 1.00 0.00 N ATOM 701 CA ILE A 41 58.696 4.840 4.311 1.00 0.00 C ATOM 702 C ILE A 41 57.171 4.820 4.130 1.00 0.00 C ATOM 703 O ILE A 41 56.666 5.204 3.110 1.00 0.00 O ATOM 704 CB ILE A 41 59.321 3.414 4.225 1.00 0.00 C ATOM 705 CG1 ILE A 41 60.609 3.475 3.394 1.00 0.00 C ATOM 706 CG2 ILE A 41 58.376 2.382 3.574 1.00 0.00 C ATOM 707 CD1 ILE A 41 61.794 3.832 4.298 1.00 0.00 C ATOM 0 H ILE A 41 59.384 4.761 6.324 1.00 0.00 H new ATOM 0 HA ILE A 41 59.141 5.433 3.512 1.00 0.00 H new ATOM 0 HB ILE A 41 59.516 3.092 5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 41 60.786 2.515 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 41 60.507 4.217 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.866 1.409 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 41 57.460 2.308 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 41 58.134 2.700 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 41 62.706 3.874 3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 41 61.618 4.803 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 41 61.901 3.074 5.073 1.00 0.00 H new ATOM 719 N ALA A 42 56.451 4.381 5.133 1.00 0.00 N ATOM 720 CA ALA A 42 54.959 4.321 5.046 1.00 0.00 C ATOM 721 C ALA A 42 54.402 5.703 4.751 1.00 0.00 C ATOM 722 O ALA A 42 53.704 5.902 3.775 1.00 0.00 O ATOM 723 CB ALA A 42 54.392 3.804 6.367 1.00 0.00 C ATOM 0 H ALA A 42 56.839 4.058 6.019 1.00 0.00 H new ATOM 0 HA ALA A 42 54.672 3.645 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 42 53.305 3.760 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 42 54.784 2.807 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 42 54.682 4.476 7.175 1.00 0.00 H new ATOM 729 N ASN A 43 54.733 6.670 5.564 1.00 0.00 N ATOM 730 CA ASN A 43 54.256 8.056 5.296 1.00 0.00 C ATOM 731 C ASN A 43 54.837 8.520 3.949 1.00 0.00 C ATOM 732 O ASN A 43 54.351 9.453 3.338 1.00 0.00 O ATOM 733 CB ASN A 43 54.732 8.989 6.410 1.00 0.00 C ATOM 734 CG ASN A 43 53.775 8.894 7.600 1.00 0.00 C ATOM 735 OD1 ASN A 43 52.935 9.751 7.787 1.00 0.00 O ATOM 736 ND2 ASN A 43 53.866 7.879 8.416 1.00 0.00 N ATOM 0 H ASN A 43 55.310 6.561 6.398 1.00 0.00 H new ATOM 0 HA ASN A 43 53.167 8.076 5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 43 55.741 8.718 6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 43 54.775 10.015 6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 43 53.231 7.805 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 43 54.572 7.160 8.258 1.00 0.00 H new ATOM 743 N GLN A 44 55.888 7.870 3.495 1.00 0.00 N ATOM 744 CA GLN A 44 56.526 8.251 2.208 1.00 0.00 C ATOM 745 C GLN A 44 55.698 7.752 1.008 1.00 0.00 C ATOM 746 O GLN A 44 55.698 8.380 -0.034 1.00 0.00 O ATOM 747 CB GLN A 44 57.945 7.665 2.167 1.00 0.00 C ATOM 748 CG GLN A 44 58.980 8.739 2.527 1.00 0.00 C ATOM 749 CD GLN A 44 58.928 9.877 1.506 1.00 0.00 C ATOM 750 OE1 GLN A 44 59.043 9.649 0.318 1.00 0.00 O ATOM 751 NE2 GLN A 44 58.756 11.102 1.922 1.00 0.00 N ATOM 0 H GLN A 44 56.329 7.084 3.974 1.00 0.00 H new ATOM 0 HA GLN A 44 56.574 9.338 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 44 58.021 6.830 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 44 58.153 7.270 1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 44 58.782 9.126 3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 44 59.978 8.302 2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 44 58.659 11.293 2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 44 58.718 11.868 1.250 1.00 0.00 H new ATOM 760 N LEU A 45 54.986 6.648 1.134 1.00 0.00 N ATOM 761 CA LEU A 45 54.163 6.160 -0.027 1.00 0.00 C ATOM 762 C LEU A 45 52.697 5.910 0.392 1.00 0.00 C ATOM 763 O LEU A 45 51.950 5.250 -0.304 1.00 0.00 O ATOM 764 CB LEU A 45 54.805 4.899 -0.654 1.00 0.00 C ATOM 765 CG LEU A 45 54.564 3.639 0.185 1.00 0.00 C ATOM 766 CD1 LEU A 45 54.838 2.388 -0.668 1.00 0.00 C ATOM 767 CD2 LEU A 45 55.507 3.656 1.376 1.00 0.00 C ATOM 0 H LEU A 45 54.940 6.074 1.976 1.00 0.00 H new ATOM 0 HA LEU A 45 54.147 6.939 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.400 4.748 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 45 55.878 5.058 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 45 53.530 3.617 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 45 54.666 1.494 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 45 54.170 2.382 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 45 55.873 2.401 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 45 55.345 2.764 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 45 56.538 3.673 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 45 55.315 4.543 1.979 1.00 0.00 H new ATOM 779 N GLY A 46 52.276 6.470 1.500 1.00 0.00 N ATOM 780 CA GLY A 46 50.854 6.321 1.957 1.00 0.00 C ATOM 781 C GLY A 46 50.374 4.859 1.941 1.00 0.00 C ATOM 782 O GLY A 46 49.191 4.605 1.801 1.00 0.00 O ATOM 0 H GLY A 46 52.863 7.032 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 46 50.758 6.719 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 46 50.206 6.919 1.316 1.00 0.00 H new ATOM 786 N LEU A 47 51.255 3.904 2.101 1.00 0.00 N ATOM 787 CA LEU A 47 50.801 2.470 2.112 1.00 0.00 C ATOM 788 C LEU A 47 50.698 1.973 3.561 1.00 0.00 C ATOM 789 O LEU A 47 51.052 2.665 4.497 1.00 0.00 O ATOM 790 CB LEU A 47 51.758 1.569 1.272 1.00 0.00 C ATOM 791 CG LEU A 47 52.841 0.869 2.123 1.00 0.00 C ATOM 792 CD1 LEU A 47 53.801 0.092 1.212 1.00 0.00 C ATOM 793 CD2 LEU A 47 53.626 1.897 2.932 1.00 0.00 C ATOM 0 H LEU A 47 52.258 4.047 2.223 1.00 0.00 H new ATOM 0 HA LEU A 47 49.816 2.410 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.170 0.813 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 47 52.243 2.178 0.509 1.00 0.00 H new ATOM 0 HG LEU A 47 52.351 0.177 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 47 54.562 -0.399 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 47 53.244 -0.659 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 47 54.281 0.781 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 47 54.385 1.389 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 47 54.107 2.602 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 47 52.947 2.435 3.594 1.00 0.00 H new ATOM 805 N GLU A 48 50.237 0.764 3.732 1.00 0.00 N ATOM 806 CA GLU A 48 50.130 0.180 5.093 1.00 0.00 C ATOM 807 C GLU A 48 51.435 -0.551 5.393 1.00 0.00 C ATOM 808 O GLU A 48 52.054 -1.111 4.510 1.00 0.00 O ATOM 809 CB GLU A 48 48.961 -0.811 5.140 1.00 0.00 C ATOM 810 CG GLU A 48 48.749 -1.296 6.577 1.00 0.00 C ATOM 811 CD GLU A 48 47.672 -0.444 7.253 1.00 0.00 C ATOM 812 OE1 GLU A 48 46.512 -0.810 7.163 1.00 0.00 O ATOM 813 OE2 GLU A 48 48.026 0.559 7.850 1.00 0.00 O ATOM 0 H GLU A 48 49.928 0.152 2.977 1.00 0.00 H new ATOM 0 HA GLU A 48 49.953 0.963 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 48 48.053 -0.334 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 48 49.165 -1.659 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 48 48.451 -2.344 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 48 49.683 -1.230 7.135 1.00 0.00 H new ATOM 820 N LYS A 49 51.857 -0.562 6.625 1.00 0.00 N ATOM 821 CA LYS A 49 53.127 -1.267 6.977 1.00 0.00 C ATOM 822 C LYS A 49 53.035 -2.752 6.587 1.00 0.00 C ATOM 823 O LYS A 49 54.039 -3.430 6.489 1.00 0.00 O ATOM 824 CB LYS A 49 53.381 -1.141 8.481 1.00 0.00 C ATOM 825 CG LYS A 49 54.309 0.051 8.745 1.00 0.00 C ATOM 826 CD LYS A 49 53.474 1.283 9.101 1.00 0.00 C ATOM 827 CE LYS A 49 53.068 1.221 10.576 1.00 0.00 C ATOM 828 NZ LYS A 49 54.223 1.622 11.429 1.00 0.00 N ATOM 0 H LYS A 49 51.379 -0.114 7.407 1.00 0.00 H new ATOM 0 HA LYS A 49 53.952 -0.811 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 49 52.438 -1.005 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 49 53.831 -2.057 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 49 54.996 -0.183 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 49 54.917 0.254 7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.047 2.190 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 49 52.586 1.327 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 49 52.221 1.882 10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 49 52.746 0.212 10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 54.243 1.033 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 55.108 1.491 10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 54.125 2.622 11.698 1.00 0.00 H new ATOM 842 N ASP A 50 51.842 -3.264 6.368 1.00 0.00 N ATOM 843 CA ASP A 50 51.696 -4.698 5.988 1.00 0.00 C ATOM 844 C ASP A 50 52.138 -4.915 4.536 1.00 0.00 C ATOM 845 O ASP A 50 52.717 -5.936 4.217 1.00 0.00 O ATOM 846 CB ASP A 50 50.230 -5.119 6.142 1.00 0.00 C ATOM 847 CG ASP A 50 50.160 -6.544 6.697 1.00 0.00 C ATOM 848 OD1 ASP A 50 50.952 -6.859 7.569 1.00 0.00 O ATOM 849 OD2 ASP A 50 49.313 -7.295 6.240 1.00 0.00 O ATOM 0 H ASP A 50 50.967 -2.745 6.438 1.00 0.00 H new ATOM 0 HA ASP A 50 52.326 -5.301 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 50 49.712 -4.432 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 50 49.723 -5.068 5.178 1.00 0.00 H new ATOM 854 N VAL A 51 51.882 -3.975 3.651 1.00 0.00 N ATOM 855 CA VAL A 51 52.310 -4.165 2.232 1.00 0.00 C ATOM 856 C VAL A 51 53.782 -3.757 2.096 1.00 0.00 C ATOM 857 O VAL A 51 54.481 -4.219 1.214 1.00 0.00 O ATOM 858 CB VAL A 51 51.424 -3.330 1.293 1.00 0.00 C ATOM 859 CG1 VAL A 51 51.556 -1.837 1.623 1.00 0.00 C ATOM 860 CG2 VAL A 51 51.847 -3.580 -0.160 1.00 0.00 C ATOM 0 H VAL A 51 51.402 -3.098 3.850 1.00 0.00 H new ATOM 0 HA VAL A 51 52.201 -5.213 1.952 1.00 0.00 H new ATOM 0 HB VAL A 51 50.384 -3.626 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 51 50.923 -1.258 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 51 51.245 -1.663 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 51 52.594 -1.528 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 51 51.220 -2.989 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 51 52.890 -3.291 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 51 51.732 -4.638 -0.396 1.00 0.00 H new ATOM 870 N VAL A 52 54.259 -2.905 2.973 1.00 0.00 N ATOM 871 CA VAL A 52 55.683 -2.482 2.908 1.00 0.00 C ATOM 872 C VAL A 52 56.561 -3.613 3.482 1.00 0.00 C ATOM 873 O VAL A 52 57.701 -3.787 3.093 1.00 0.00 O ATOM 874 CB VAL A 52 55.847 -1.142 3.686 1.00 0.00 C ATOM 875 CG1 VAL A 52 56.350 -1.352 5.126 1.00 0.00 C ATOM 876 CG2 VAL A 52 56.827 -0.238 2.930 1.00 0.00 C ATOM 0 H VAL A 52 53.718 -2.487 3.730 1.00 0.00 H new ATOM 0 HA VAL A 52 56.001 -2.305 1.881 1.00 0.00 H new ATOM 0 HB VAL A 52 54.863 -0.677 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 52 56.446 -0.386 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 52 55.639 -1.972 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 52 57.321 -1.847 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 56.946 0.701 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 52 57.794 -0.736 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 52 56.440 -0.036 1.931 1.00 0.00 H new ATOM 886 N ARG A 53 56.026 -4.380 4.405 1.00 0.00 N ATOM 887 CA ARG A 53 56.811 -5.495 5.010 1.00 0.00 C ATOM 888 C ARG A 53 56.762 -6.716 4.087 1.00 0.00 C ATOM 889 O ARG A 53 57.739 -7.425 3.937 1.00 0.00 O ATOM 890 CB ARG A 53 56.219 -5.852 6.378 1.00 0.00 C ATOM 891 CG ARG A 53 57.239 -6.657 7.198 1.00 0.00 C ATOM 892 CD ARG A 53 56.734 -8.088 7.400 1.00 0.00 C ATOM 893 NE ARG A 53 57.278 -8.630 8.678 1.00 0.00 N ATOM 894 CZ ARG A 53 56.954 -9.832 9.068 1.00 0.00 C ATOM 895 NH1 ARG A 53 55.814 -10.038 9.670 1.00 0.00 N ATOM 896 NH2 ARG A 53 57.770 -10.828 8.857 1.00 0.00 N ATOM 0 H ARG A 53 55.076 -4.278 4.763 1.00 0.00 H new ATOM 0 HA ARG A 53 57.848 -5.184 5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 53 55.946 -4.943 6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 53 55.305 -6.432 6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 53 58.201 -6.671 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 53 57.400 -6.179 8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 53 55.644 -8.101 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 53 57.044 -8.716 6.565 1.00 0.00 H new ATOM 0 HE ARG A 53 57.904 -8.061 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 53 55.177 -9.259 9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 53 55.561 -10.978 9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 53 58.661 -10.667 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 53 57.517 -11.768 9.162 1.00 0.00 H new ATOM 910 N VAL A 54 55.636 -6.960 3.460 1.00 0.00 N ATOM 911 CA VAL A 54 55.530 -8.128 2.537 1.00 0.00 C ATOM 912 C VAL A 54 56.451 -7.895 1.346 1.00 0.00 C ATOM 913 O VAL A 54 57.121 -8.804 0.890 1.00 0.00 O ATOM 914 CB VAL A 54 54.082 -8.287 2.066 1.00 0.00 C ATOM 915 CG1 VAL A 54 53.962 -9.517 1.161 1.00 0.00 C ATOM 916 CG2 VAL A 54 53.175 -8.467 3.285 1.00 0.00 C ATOM 0 H VAL A 54 54.788 -6.400 3.549 1.00 0.00 H new ATOM 0 HA VAL A 54 55.827 -9.041 3.054 1.00 0.00 H new ATOM 0 HB VAL A 54 53.784 -7.400 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 54 52.929 -9.625 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 54 54.611 -9.395 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 54 54.260 -10.407 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 54 52.142 -8.581 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 54 53.480 -9.356 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 54 53.256 -7.593 3.931 1.00 0.00 H new ATOM 926 N TRP A 55 56.521 -6.680 0.857 1.00 0.00 N ATOM 927 CA TRP A 55 57.439 -6.402 -0.278 1.00 0.00 C ATOM 928 C TRP A 55 58.866 -6.526 0.260 1.00 0.00 C ATOM 929 O TRP A 55 59.754 -6.990 -0.432 1.00 0.00 O ATOM 930 CB TRP A 55 57.191 -4.990 -0.853 1.00 0.00 C ATOM 931 CG TRP A 55 58.325 -4.607 -1.766 1.00 0.00 C ATOM 932 CD1 TRP A 55 58.507 -5.057 -3.035 1.00 0.00 C ATOM 933 CD2 TRP A 55 59.461 -3.741 -1.476 1.00 0.00 C ATOM 934 NE1 TRP A 55 59.676 -4.512 -3.531 1.00 0.00 N ATOM 935 CE2 TRP A 55 60.291 -3.698 -2.615 1.00 0.00 C ATOM 936 CE3 TRP A 55 59.850 -2.989 -0.350 1.00 0.00 C ATOM 937 CZ2 TRP A 55 61.456 -2.951 -2.644 1.00 0.00 C ATOM 938 CZ3 TRP A 55 61.034 -2.235 -0.376 1.00 0.00 C ATOM 939 CH2 TRP A 55 61.836 -2.218 -1.522 1.00 0.00 C ATOM 0 H TRP A 55 55.986 -5.880 1.195 1.00 0.00 H new ATOM 0 HA TRP A 55 57.270 -7.108 -1.091 1.00 0.00 H new ATOM 0 HB2 TRP A 55 56.248 -4.970 -1.400 1.00 0.00 H new ATOM 0 HB3 TRP A 55 57.104 -4.267 -0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 55 57.849 -5.728 -3.567 1.00 0.00 H new ATOM 0 HE1 TRP A 55 60.038 -4.694 -4.467 1.00 0.00 H new ATOM 0 HE3 TRP A 55 59.234 -2.993 0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 62.068 -2.937 -3.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 61.327 -1.665 0.493 1.00 0.00 H new ATOM 0 HH2 TRP A 55 62.747 -1.638 -1.537 1.00 0.00 H new ATOM 950 N PHE A 56 59.090 -6.118 1.489 1.00 0.00 N ATOM 951 CA PHE A 56 60.461 -6.229 2.050 1.00 0.00 C ATOM 952 C PHE A 56 60.728 -7.655 2.529 1.00 0.00 C ATOM 953 O PHE A 56 61.840 -7.982 2.885 1.00 0.00 O ATOM 954 CB PHE A 56 60.679 -5.237 3.198 1.00 0.00 C ATOM 955 CG PHE A 56 61.950 -4.470 2.917 1.00 0.00 C ATOM 956 CD1 PHE A 56 63.155 -5.161 2.707 1.00 0.00 C ATOM 957 CD2 PHE A 56 61.918 -3.082 2.824 1.00 0.00 C ATOM 958 CE1 PHE A 56 64.319 -4.458 2.405 1.00 0.00 C ATOM 959 CE2 PHE A 56 63.085 -2.382 2.529 1.00 0.00 C ATOM 960 CZ PHE A 56 64.285 -3.068 2.317 1.00 0.00 C ATOM 0 H PHE A 56 58.389 -5.720 2.114 1.00 0.00 H new ATOM 0 HA PHE A 56 61.165 -5.983 1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 56 59.832 -4.555 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 56 60.755 -5.765 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 56 63.179 -6.238 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 56 60.991 -2.550 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 56 65.245 -4.989 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 56 63.063 -1.304 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 56 65.186 -2.520 2.085 1.00 0.00 H new ATOM 970 N CYS A 57 59.744 -8.521 2.505 1.00 0.00 N ATOM 971 CA CYS A 57 60.005 -9.928 2.908 1.00 0.00 C ATOM 972 C CYS A 57 60.763 -10.567 1.750 1.00 0.00 C ATOM 973 O CYS A 57 61.682 -11.342 1.937 1.00 0.00 O ATOM 974 CB CYS A 57 58.685 -10.665 3.153 1.00 0.00 C ATOM 975 SG CYS A 57 58.893 -11.847 4.509 1.00 0.00 S ATOM 0 H CYS A 57 58.785 -8.314 2.227 1.00 0.00 H new ATOM 0 HA CYS A 57 60.579 -9.977 3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 57 57.898 -9.951 3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 57 58.374 -11.186 2.247 1.00 0.00 H new ATOM 0 HG CYS A 57 57.771 -12.470 4.717 1.00 0.00 H new ATOM 981 N ASN A 58 60.396 -10.202 0.547 1.00 0.00 N ATOM 982 CA ASN A 58 61.099 -10.730 -0.651 1.00 0.00 C ATOM 983 C ASN A 58 62.328 -9.852 -0.936 1.00 0.00 C ATOM 984 O ASN A 58 63.289 -10.303 -1.531 1.00 0.00 O ATOM 985 CB ASN A 58 60.155 -10.698 -1.854 1.00 0.00 C ATOM 986 CG ASN A 58 60.598 -11.748 -2.875 1.00 0.00 C ATOM 987 OD1 ASN A 58 60.872 -11.427 -4.014 1.00 0.00 O ATOM 988 ND2 ASN A 58 60.679 -12.999 -2.513 1.00 0.00 N ATOM 0 H ASN A 58 59.633 -9.555 0.347 1.00 0.00 H new ATOM 0 HA ASN A 58 61.414 -11.758 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 58 59.132 -10.895 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 58 60.161 -9.707 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 58 60.972 -13.707 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 58 60.449 -13.269 -1.557 1.00 0.00 H new ATOM 995 N ARG A 59 62.312 -8.603 -0.506 1.00 0.00 N ATOM 996 CA ARG A 59 63.493 -7.715 -0.751 1.00 0.00 C ATOM 997 C ARG A 59 64.577 -8.016 0.294 1.00 0.00 C ATOM 998 O ARG A 59 65.736 -7.712 0.087 1.00 0.00 O ATOM 999 CB ARG A 59 63.090 -6.216 -0.691 1.00 0.00 C ATOM 1000 CG ARG A 59 63.374 -5.536 -2.039 1.00 0.00 C ATOM 1001 CD ARG A 59 64.849 -5.707 -2.438 1.00 0.00 C ATOM 1002 NE ARG A 59 64.930 -6.156 -3.857 1.00 0.00 N ATOM 1003 CZ ARG A 59 65.182 -7.407 -4.132 1.00 0.00 C ATOM 1004 NH1 ARG A 59 64.241 -8.303 -4.017 1.00 0.00 N ATOM 1005 NH2 ARG A 59 66.374 -7.761 -4.525 1.00 0.00 N ATOM 0 H ARG A 59 61.538 -8.169 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 59 63.880 -7.914 -1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 59 62.032 -6.126 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 59 63.645 -5.714 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 59 62.732 -5.964 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 59 63.131 -4.475 -1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 59 65.383 -4.765 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 59 65.331 -6.436 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 59 64.789 -5.486 -4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 59 63.308 -8.026 -3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 59 64.438 -9.280 -4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 59 67.110 -7.060 -4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 59 66.571 -8.739 -4.740 1.00 0.00 H new ATOM 1019 N ARG A 60 64.221 -8.632 1.405 1.00 0.00 N ATOM 1020 CA ARG A 60 65.252 -8.966 2.431 1.00 0.00 C ATOM 1021 C ARG A 60 65.794 -10.377 2.161 1.00 0.00 C ATOM 1022 O ARG A 60 66.922 -10.692 2.491 1.00 0.00 O ATOM 1023 CB ARG A 60 64.649 -8.884 3.846 1.00 0.00 C ATOM 1024 CG ARG A 60 63.579 -9.967 4.051 1.00 0.00 C ATOM 1025 CD ARG A 60 62.858 -9.733 5.384 1.00 0.00 C ATOM 1026 NE ARG A 60 62.714 -11.029 6.105 1.00 0.00 N ATOM 1027 CZ ARG A 60 62.841 -11.072 7.403 1.00 0.00 C ATOM 1028 NH1 ARG A 60 63.841 -10.465 7.980 1.00 0.00 N ATOM 1029 NH2 ARG A 60 61.971 -11.725 8.124 1.00 0.00 N ATOM 0 H ARG A 60 63.268 -8.912 1.637 1.00 0.00 H new ATOM 0 HA ARG A 60 66.069 -8.247 2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 60 65.438 -9.002 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 60 64.209 -7.899 4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 60 62.863 -9.945 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 60 64.041 -10.954 4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 60 63.420 -9.026 5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 60 61.877 -9.292 5.207 1.00 0.00 H new ATOM 0 HE ARG A 60 62.516 -11.883 5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 60 64.523 -9.957 7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 60 63.941 -10.498 8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 60 61.191 -12.203 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 60 62.071 -11.758 9.139 1.00 0.00 H new ATOM 1043 N GLN A 61 64.991 -11.226 1.564 1.00 0.00 N ATOM 1044 CA GLN A 61 65.442 -12.619 1.269 1.00 0.00 C ATOM 1045 C GLN A 61 65.410 -12.857 -0.242 1.00 0.00 C ATOM 1046 O GLN A 61 64.771 -13.772 -0.727 1.00 0.00 O ATOM 1047 CB GLN A 61 64.513 -13.611 1.982 1.00 0.00 C ATOM 1048 CG GLN A 61 64.979 -15.048 1.722 1.00 0.00 C ATOM 1049 CD GLN A 61 64.703 -15.905 2.959 1.00 0.00 C ATOM 1050 OE1 GLN A 61 65.107 -15.563 4.052 1.00 0.00 O ATOM 1051 NE2 GLN A 61 64.026 -17.014 2.832 1.00 0.00 N ATOM 0 H GLN A 61 64.039 -11.011 1.268 1.00 0.00 H new ATOM 0 HA GLN A 61 66.462 -12.763 1.627 1.00 0.00 H new ATOM 0 HB2 GLN A 61 64.507 -13.410 3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 61 63.490 -13.482 1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 61 64.458 -15.460 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 61 66.044 -15.060 1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 61 63.686 -17.302 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 61 63.837 -17.593 3.650 1.00 0.00 H new ATOM 1060 N LYS A 62 66.112 -12.043 -0.981 1.00 0.00 N ATOM 1061 CA LYS A 62 66.151 -12.212 -2.459 1.00 0.00 C ATOM 1062 C LYS A 62 67.170 -13.302 -2.817 1.00 0.00 C ATOM 1063 O LYS A 62 67.070 -13.943 -3.846 1.00 0.00 O ATOM 1064 CB LYS A 62 66.553 -10.883 -3.106 1.00 0.00 C ATOM 1065 CG LYS A 62 67.927 -10.427 -2.584 1.00 0.00 C ATOM 1066 CD LYS A 62 67.786 -9.109 -1.814 1.00 0.00 C ATOM 1067 CE LYS A 62 68.965 -8.191 -2.146 1.00 0.00 C ATOM 1068 NZ LYS A 62 69.135 -7.187 -1.058 1.00 0.00 N ATOM 0 H LYS A 62 66.663 -11.264 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 62 65.169 -12.508 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 62 66.587 -10.994 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 62 65.803 -10.123 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 62 68.351 -11.193 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 62 68.617 -10.298 -3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 62 66.847 -8.621 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 62 67.755 -9.304 -0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 62 69.876 -8.778 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 62 68.791 -7.687 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 69.936 -6.563 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 68.268 -6.619 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 69.320 -7.677 -0.159 1.00 0.00 H new ATOM 1082 N GLY A 63 68.146 -13.517 -1.967 1.00 0.00 N ATOM 1083 CA GLY A 63 69.174 -14.562 -2.240 1.00 0.00 C ATOM 1084 C GLY A 63 70.323 -14.409 -1.242 1.00 0.00 C ATOM 1085 O GLY A 63 71.409 -13.985 -1.592 1.00 0.00 O ATOM 0 H GLY A 63 68.272 -13.009 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 63 68.732 -15.555 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 63 69.547 -14.465 -3.260 1.00 0.00 H new ATOM 1089 N LYS A 64 70.085 -14.747 -0.001 1.00 0.00 N ATOM 1090 CA LYS A 64 71.151 -14.622 1.034 1.00 0.00 C ATOM 1091 C LYS A 64 71.743 -15.999 1.331 1.00 0.00 C ATOM 1092 O LYS A 64 72.924 -16.130 1.596 1.00 0.00 O ATOM 1093 CB LYS A 64 70.547 -14.035 2.316 1.00 0.00 C ATOM 1094 CG LYS A 64 70.851 -12.537 2.389 1.00 0.00 C ATOM 1095 CD LYS A 64 70.178 -11.937 3.625 1.00 0.00 C ATOM 1096 CE LYS A 64 70.953 -12.347 4.879 1.00 0.00 C ATOM 1097 NZ LYS A 64 70.076 -12.198 6.075 1.00 0.00 N ATOM 0 H LYS A 64 69.193 -15.106 0.340 1.00 0.00 H new ATOM 0 HA LYS A 64 71.939 -13.964 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 64 69.469 -14.199 2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 64 70.958 -14.542 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 64 71.928 -12.376 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 64 70.492 -12.038 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 64 70.146 -10.851 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 64 69.146 -12.282 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 64 71.292 -13.379 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 64 71.843 -11.728 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 70.602 -12.476 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 69.774 -11.207 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 69.239 -12.807 5.970 1.00 0.00 H new ATOM 1111 N ARG A 65 70.934 -17.024 1.291 1.00 0.00 N ATOM 1112 CA ARG A 65 71.448 -18.394 1.575 1.00 0.00 C ATOM 1113 C ARG A 65 70.923 -19.373 0.524 1.00 0.00 C ATOM 1114 O ARG A 65 69.787 -19.806 0.580 1.00 0.00 O ATOM 1115 CB ARG A 65 70.980 -18.835 2.963 1.00 0.00 C ATOM 1116 CG ARG A 65 72.029 -18.438 4.003 1.00 0.00 C ATOM 1117 CD ARG A 65 71.520 -18.787 5.403 1.00 0.00 C ATOM 1118 NE ARG A 65 70.394 -17.878 5.763 1.00 0.00 N ATOM 1119 CZ ARG A 65 70.459 -17.153 6.847 1.00 0.00 C ATOM 1120 NH1 ARG A 65 71.577 -16.564 7.174 1.00 0.00 N ATOM 1121 NH2 ARG A 65 69.405 -17.017 7.605 1.00 0.00 N ATOM 0 H ARG A 65 69.939 -16.971 1.074 1.00 0.00 H new ATOM 0 HA ARG A 65 72.537 -18.384 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 65 70.023 -18.371 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 65 70.824 -19.914 2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 65 72.967 -18.958 3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 65 72.236 -17.370 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 65 71.188 -19.825 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 65 72.327 -18.690 6.130 1.00 0.00 H new ATOM 0 HE ARG A 65 69.572 -17.823 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 65 72.401 -16.670 6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 65 71.626 -15.998 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 65 68.531 -17.477 7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 65 69.455 -16.451 8.452 1.00 0.00 H new ATOM 1135 N SER A 66 71.747 -19.726 -0.430 1.00 0.00 N ATOM 1136 CA SER A 66 71.309 -20.682 -1.489 1.00 0.00 C ATOM 1137 C SER A 66 71.828 -22.083 -1.152 1.00 0.00 C ATOM 1138 O SER A 66 72.756 -22.578 -1.765 1.00 0.00 O ATOM 1139 CB SER A 66 71.866 -20.237 -2.843 1.00 0.00 C ATOM 1140 OG SER A 66 71.163 -20.906 -3.882 1.00 0.00 O ATOM 0 H SER A 66 72.706 -19.392 -0.520 1.00 0.00 H new ATOM 0 HA SER A 66 70.220 -20.700 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 66 71.763 -19.158 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 66 72.930 -20.464 -2.904 1.00 0.00 H new ATOM 0 HG SER A 66 71.516 -20.622 -4.751 1.00 0.00 H new ATOM 1146 N SER A 67 71.234 -22.721 -0.176 1.00 0.00 N ATOM 1147 CA SER A 67 71.684 -24.089 0.214 1.00 0.00 C ATOM 1148 C SER A 67 70.466 -25.003 0.368 1.00 0.00 C ATOM 1149 O SER A 67 70.579 -26.170 0.030 1.00 0.00 O ATOM 1150 CB SER A 67 72.437 -24.017 1.541 1.00 0.00 C ATOM 1151 OG SER A 67 73.500 -23.080 1.427 1.00 0.00 O ATOM 1152 OXT SER A 67 69.441 -24.521 0.821 1.00 0.00 O ATOM 0 H SER A 67 70.455 -22.351 0.368 1.00 0.00 H new ATOM 0 HA SER A 67 72.342 -24.489 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 67 71.759 -23.720 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 67 72.829 -24.999 1.804 1.00 0.00 H new ATOM 0 HG SER A 67 73.985 -23.030 2.277 1.00 0.00 H new TER 1158 SER A 67