USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 TYR OH : rot 150:sc= 0.837 USER MOD Set 1.2: A 25 GLN : amide:sc= 0.193 K(o=1,f=0.41) USER MOD Single : A 1 MET CE :methyl 147:sc= -0.237 (180deg=-0.907) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0.196 (180deg=0.161) USER MOD Single : A 3 LYS NZ :NH3+ 154:sc= -2.49! (180deg=-3.72!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -61:sc= 0.193 USER MOD Single : A 14 THR OG1 : rot -33:sc= 0.993 USER MOD Single : A 15 LYS NZ :NH3+ 171:sc= -0.0105 (180deg=-0.117) USER MOD Single : A 21 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 135:sc= 0.367 (180deg=-0.145) USER MOD Single : A 29 SER OG : rot 94:sc= 1.21 USER MOD Single : A 31 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 165:sc= -0.516 USER MOD Single : A 39 LYS NZ :NH3+ 135:sc= -0.0871 (180deg=-0.422) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -162:sc= -0.177 (180deg=-0.71) USER MOD Single : A 48 ASN : amide:sc= -0.591 K(o=-0.59,f=0) USER MOD Single : A 54 SER OG : rot -62:sc= 0.929 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.034) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.125 12.426 -20.047 1.00 0.00 N ATOM 2 CA MET A 1 -0.163 13.550 -20.180 1.00 0.00 C ATOM 3 C MET A 1 0.335 14.005 -18.815 1.00 0.00 C ATOM 4 O MET A 1 1.437 14.541 -18.691 1.00 0.00 O ATOM 5 CB MET A 1 -0.811 14.741 -20.895 1.00 0.00 C ATOM 6 CG MET A 1 -1.146 14.487 -22.354 1.00 0.00 C ATOM 7 SD MET A 1 -1.913 15.915 -23.144 1.00 0.00 S ATOM 8 CE MET A 1 -0.654 17.163 -22.879 1.00 0.00 C ATOM 0 H1 MET A 1 -1.476 12.156 -20.988 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.649 11.612 -19.608 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.925 12.722 -19.451 1.00 0.00 H new ATOM 0 HA MET A 1 0.680 13.188 -20.769 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.725 15.014 -20.367 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.139 15.597 -20.832 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.235 14.223 -22.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.818 13.632 -22.426 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.647 17.857 -23.720 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.870 17.708 -21.960 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.321 16.684 -22.796 1.00 0.00 H new ATOM 20 N GLU A 2 -0.474 13.777 -17.794 1.00 0.00 N ATOM 21 CA GLU A 2 -0.162 14.230 -16.452 1.00 0.00 C ATOM 22 C GLU A 2 0.739 13.227 -15.746 1.00 0.00 C ATOM 23 O GLU A 2 0.869 12.077 -16.176 1.00 0.00 O ATOM 24 CB GLU A 2 -1.450 14.461 -15.640 1.00 0.00 C ATOM 25 CG GLU A 2 -2.386 13.255 -15.568 1.00 0.00 C ATOM 26 CD GLU A 2 -3.109 12.982 -16.874 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.157 13.606 -17.123 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.616 12.160 -17.672 1.00 0.00 O ATOM 0 H GLU A 2 -1.359 13.276 -17.872 1.00 0.00 H new ATOM 0 HA GLU A 2 0.369 15.179 -16.528 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.176 14.752 -14.626 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.993 15.299 -16.077 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.811 12.373 -15.287 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.121 13.420 -14.780 1.00 0.00 H new ATOM 35 N LYS A 3 1.369 13.673 -14.676 1.00 0.00 N ATOM 36 CA LYS A 3 2.233 12.831 -13.885 1.00 0.00 C ATOM 37 C LYS A 3 1.637 12.694 -12.494 1.00 0.00 C ATOM 38 O LYS A 3 0.850 13.543 -12.070 1.00 0.00 O ATOM 39 CB LYS A 3 3.639 13.435 -13.829 1.00 0.00 C ATOM 40 CG LYS A 3 4.687 12.514 -13.222 1.00 0.00 C ATOM 41 CD LYS A 3 6.102 13.035 -13.447 1.00 0.00 C ATOM 42 CE LYS A 3 6.618 12.723 -14.851 1.00 0.00 C ATOM 43 NZ LYS A 3 5.824 13.387 -15.921 1.00 0.00 N ATOM 0 H LYS A 3 1.293 14.631 -14.334 1.00 0.00 H new ATOM 0 HA LYS A 3 2.314 11.842 -14.335 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.948 13.703 -14.839 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.603 14.358 -13.251 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.504 12.411 -12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.593 11.520 -13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.120 14.113 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.771 12.592 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.658 13.039 -14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.600 11.645 -15.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.420 13.522 -16.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.007 12.792 -16.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.489 14.311 -15.582 1.00 0.00 H new ATOM 57 N LYS A 4 2.014 11.627 -11.800 1.00 0.00 N ATOM 58 CA LYS A 4 1.447 11.281 -10.514 1.00 0.00 C ATOM 59 C LYS A 4 -0.023 10.890 -10.651 1.00 0.00 C ATOM 60 O LYS A 4 -0.789 10.942 -9.693 1.00 0.00 O ATOM 61 CB LYS A 4 1.633 12.418 -9.529 1.00 0.00 C ATOM 62 CG LYS A 4 3.079 12.626 -9.120 1.00 0.00 C ATOM 63 CD LYS A 4 3.247 13.914 -8.341 1.00 0.00 C ATOM 64 CE LYS A 4 4.667 14.070 -7.826 1.00 0.00 C ATOM 65 NZ LYS A 4 4.890 15.401 -7.209 1.00 0.00 N ATOM 0 H LYS A 4 2.729 10.975 -12.122 1.00 0.00 H new ATOM 0 HA LYS A 4 1.978 10.412 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.251 13.339 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.036 12.220 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.413 11.784 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.711 12.649 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.994 14.762 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.551 13.927 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.875 13.291 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.369 13.929 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.871 15.467 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.717 16.144 -7.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.238 15.526 -6.408 1.00 0.00 H new ATOM 79 N PHE A 5 -0.394 10.461 -11.851 1.00 0.00 N ATOM 80 CA PHE A 5 -1.728 9.945 -12.111 1.00 0.00 C ATOM 81 C PHE A 5 -1.817 8.507 -11.609 1.00 0.00 C ATOM 82 O PHE A 5 -2.864 8.044 -11.167 1.00 0.00 O ATOM 83 CB PHE A 5 -2.032 10.012 -13.612 1.00 0.00 C ATOM 84 CG PHE A 5 -3.359 9.414 -13.992 1.00 0.00 C ATOM 85 CD1 PHE A 5 -4.541 10.091 -13.732 1.00 0.00 C ATOM 86 CD2 PHE A 5 -3.422 8.173 -14.604 1.00 0.00 C ATOM 87 CE1 PHE A 5 -5.758 9.538 -14.078 1.00 0.00 C ATOM 88 CE2 PHE A 5 -4.635 7.618 -14.950 1.00 0.00 C ATOM 89 CZ PHE A 5 -5.805 8.300 -14.687 1.00 0.00 C ATOM 0 H PHE A 5 0.219 10.462 -12.666 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.465 10.552 -11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.009 11.054 -13.931 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.242 9.495 -14.156 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.509 11.059 -13.255 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.510 7.634 -14.812 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.673 10.074 -13.872 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.670 6.650 -15.427 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.756 7.866 -14.957 1.00 0.00 H new ATOM 99 N LEU A 6 -0.689 7.813 -11.669 1.00 0.00 N ATOM 100 CA LEU A 6 -0.593 6.450 -11.166 1.00 0.00 C ATOM 101 C LEU A 6 -0.123 6.470 -9.720 1.00 0.00 C ATOM 102 O LEU A 6 0.119 5.433 -9.109 1.00 0.00 O ATOM 103 CB LEU A 6 0.378 5.644 -12.028 1.00 0.00 C ATOM 104 CG LEU A 6 0.061 5.644 -13.519 1.00 0.00 C ATOM 105 CD1 LEU A 6 1.187 4.994 -14.305 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.261 4.939 -13.789 1.00 0.00 C ATOM 0 H LEU A 6 0.179 8.175 -12.064 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.575 5.979 -11.212 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.383 6.040 -11.885 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.388 4.613 -11.673 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.033 6.679 -13.848 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.942 5.004 -15.367 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.112 5.547 -14.141 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.316 3.964 -13.972 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.468 4.951 -14.859 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.201 3.907 -13.442 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.063 5.454 -13.259 1.00 0.00 H new ATOM 118 N ASP A 7 0.007 7.673 -9.185 1.00 0.00 N ATOM 119 CA ASP A 7 0.463 7.863 -7.810 1.00 0.00 C ATOM 120 C ASP A 7 -0.721 8.072 -6.868 1.00 0.00 C ATOM 121 O ASP A 7 -0.594 7.952 -5.649 1.00 0.00 O ATOM 122 CB ASP A 7 1.423 9.054 -7.738 1.00 0.00 C ATOM 123 CG ASP A 7 1.945 9.304 -6.337 1.00 0.00 C ATOM 124 OD1 ASP A 7 2.607 8.404 -5.775 1.00 0.00 O ATOM 125 OD2 ASP A 7 1.705 10.404 -5.797 1.00 0.00 O ATOM 0 H ASP A 7 -0.197 8.540 -9.682 1.00 0.00 H new ATOM 0 HA ASP A 7 0.991 6.964 -7.492 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.264 8.878 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.913 9.948 -8.096 1.00 0.00 H new ATOM 130 N ILE A 8 -1.882 8.350 -7.446 1.00 0.00 N ATOM 131 CA ILE A 8 -3.088 8.606 -6.668 1.00 0.00 C ATOM 132 C ILE A 8 -3.872 7.321 -6.427 1.00 0.00 C ATOM 133 O ILE A 8 -5.082 7.354 -6.212 1.00 0.00 O ATOM 134 CB ILE A 8 -4.001 9.638 -7.363 1.00 0.00 C ATOM 135 CG1 ILE A 8 -4.390 9.156 -8.764 1.00 0.00 C ATOM 136 CG2 ILE A 8 -3.309 10.991 -7.427 1.00 0.00 C ATOM 137 CD1 ILE A 8 -5.370 10.071 -9.473 1.00 0.00 C ATOM 0 H ILE A 8 -2.015 8.404 -8.456 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.765 9.012 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.915 9.746 -6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.489 9.064 -9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.826 8.160 -8.688 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.963 11.711 -7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.087 11.334 -6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.381 10.899 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.599 9.665 -10.459 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.287 10.144 -8.889 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.929 11.062 -9.582 1.00 0.00 H new ATOM 149 N LEU A 9 -3.175 6.194 -6.450 1.00 0.00 N ATOM 150 CA LEU A 9 -3.808 4.904 -6.212 1.00 0.00 C ATOM 151 C LEU A 9 -4.306 4.819 -4.780 1.00 0.00 C ATOM 152 O LEU A 9 -3.526 4.908 -3.830 1.00 0.00 O ATOM 153 CB LEU A 9 -2.838 3.755 -6.486 1.00 0.00 C ATOM 154 CG LEU A 9 -2.284 3.691 -7.909 1.00 0.00 C ATOM 155 CD1 LEU A 9 -1.310 2.529 -8.048 1.00 0.00 C ATOM 156 CD2 LEU A 9 -3.416 3.568 -8.922 1.00 0.00 C ATOM 0 H LEU A 9 -2.172 6.146 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.652 4.815 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.002 3.835 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.344 2.815 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.746 4.617 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.925 2.497 -9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.483 2.662 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.825 1.594 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.000 3.524 -9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.984 2.659 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.074 4.433 -8.839 1.00 0.00 H new ATOM 168 N VAL A 10 -5.605 4.651 -4.639 1.00 0.00 N ATOM 169 CA VAL A 10 -6.238 4.585 -3.333 1.00 0.00 C ATOM 170 C VAL A 10 -7.206 3.411 -3.273 1.00 0.00 C ATOM 171 O VAL A 10 -7.663 2.921 -4.308 1.00 0.00 O ATOM 172 CB VAL A 10 -7.007 5.890 -2.999 1.00 0.00 C ATOM 173 CG1 VAL A 10 -6.055 7.072 -2.893 1.00 0.00 C ATOM 174 CG2 VAL A 10 -8.087 6.169 -4.037 1.00 0.00 C ATOM 0 H VAL A 10 -6.252 4.556 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.444 4.453 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.490 5.751 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.620 7.974 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.327 6.884 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.535 7.206 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.611 7.089 -3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.628 6.276 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.796 5.341 -4.056 1.00 0.00 H new ATOM 184 N CYS A 11 -7.501 2.955 -2.066 1.00 0.00 N ATOM 185 CA CYS A 11 -8.466 1.886 -1.874 1.00 0.00 C ATOM 186 C CYS A 11 -9.888 2.437 -1.951 1.00 0.00 C ATOM 187 O CYS A 11 -10.161 3.542 -1.478 1.00 0.00 O ATOM 188 CB CYS A 11 -8.225 1.204 -0.525 1.00 0.00 C ATOM 189 SG CYS A 11 -8.038 2.354 0.859 1.00 0.00 S ATOM 0 H CYS A 11 -7.085 3.309 -1.205 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.342 1.148 -2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.057 0.532 -0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.328 0.588 -0.596 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.008 3.119 0.651 1.00 0.00 H new ATOM 195 N PRO A 12 -10.820 1.664 -2.531 1.00 0.00 N ATOM 196 CA PRO A 12 -12.192 2.121 -2.788 1.00 0.00 C ATOM 197 C PRO A 12 -13.003 2.333 -1.509 1.00 0.00 C ATOM 198 O PRO A 12 -14.009 3.043 -1.512 1.00 0.00 O ATOM 199 CB PRO A 12 -12.811 0.989 -3.621 1.00 0.00 C ATOM 200 CG PRO A 12 -11.666 0.138 -4.058 1.00 0.00 C ATOM 201 CD PRO A 12 -10.615 0.287 -2.999 1.00 0.00 C ATOM 0 HA PRO A 12 -12.193 3.090 -3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.524 0.413 -3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.354 1.386 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.971 -0.903 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.290 0.458 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.745 -0.437 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.612 0.141 -3.401 1.00 0.00 H new ATOM 209 N VAL A 13 -12.557 1.723 -0.421 1.00 0.00 N ATOM 210 CA VAL A 13 -13.289 1.774 0.837 1.00 0.00 C ATOM 211 C VAL A 13 -13.115 3.119 1.545 1.00 0.00 C ATOM 212 O VAL A 13 -14.083 3.861 1.734 1.00 0.00 O ATOM 213 CB VAL A 13 -12.856 0.634 1.785 1.00 0.00 C ATOM 214 CG1 VAL A 13 -13.651 0.679 3.083 1.00 0.00 C ATOM 215 CG2 VAL A 13 -13.027 -0.715 1.106 1.00 0.00 C ATOM 0 H VAL A 13 -11.691 1.186 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.343 1.649 0.587 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.802 0.772 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.329 -0.133 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.481 1.634 3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.713 0.569 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.717 -1.507 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.074 -0.857 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.413 -0.750 0.206 1.00 0.00 H new ATOM 225 N THR A 14 -11.885 3.442 1.923 1.00 0.00 N ATOM 226 CA THR A 14 -11.637 4.630 2.732 1.00 0.00 C ATOM 227 C THR A 14 -10.882 5.710 1.952 1.00 0.00 C ATOM 228 O THR A 14 -10.527 6.747 2.515 1.00 0.00 O ATOM 229 CB THR A 14 -10.858 4.271 4.024 1.00 0.00 C ATOM 230 OG1 THR A 14 -10.652 5.439 4.831 1.00 0.00 O ATOM 231 CG2 THR A 14 -9.514 3.637 3.700 1.00 0.00 C ATOM 0 H THR A 14 -11.051 2.905 1.686 1.00 0.00 H new ATOM 0 HA THR A 14 -12.612 5.033 3.005 1.00 0.00 H new ATOM 0 HB THR A 14 -11.460 3.550 4.578 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.549 6.223 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.992 3.397 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.671 2.724 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.914 4.335 3.116 1.00 0.00 H new ATOM 239 N LYS A 15 -10.652 5.465 0.658 1.00 0.00 N ATOM 240 CA LYS A 15 -9.932 6.414 -0.198 1.00 0.00 C ATOM 241 C LYS A 15 -8.507 6.631 0.307 1.00 0.00 C ATOM 242 O LYS A 15 -7.932 7.704 0.137 1.00 0.00 O ATOM 243 CB LYS A 15 -10.669 7.758 -0.258 1.00 0.00 C ATOM 244 CG LYS A 15 -12.037 7.692 -0.918 1.00 0.00 C ATOM 245 CD LYS A 15 -12.751 9.029 -0.821 1.00 0.00 C ATOM 246 CE LYS A 15 -14.093 9.010 -1.538 1.00 0.00 C ATOM 247 NZ LYS A 15 -15.019 8.001 -0.966 1.00 0.00 N ATOM 0 H LYS A 15 -10.954 4.616 0.180 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.888 5.989 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.786 8.141 0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.051 8.474 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.927 7.409 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.639 6.919 -0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.904 9.284 0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.121 9.809 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.551 9.997 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.935 8.798 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.965 8.125 -1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.669 7.046 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.072 8.124 0.065 1.00 0.00 H new ATOM 261 N GLY A 16 -7.938 5.605 0.922 1.00 0.00 N ATOM 262 CA GLY A 16 -6.593 5.717 1.441 1.00 0.00 C ATOM 263 C GLY A 16 -5.561 5.304 0.424 1.00 0.00 C ATOM 264 O GLY A 16 -5.749 4.322 -0.295 1.00 0.00 O ATOM 0 H GLY A 16 -8.383 4.699 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.407 6.746 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.495 5.095 2.331 1.00 0.00 H new ATOM 268 N ARG A 17 -4.474 6.055 0.373 1.00 0.00 N ATOM 269 CA ARG A 17 -3.434 5.865 -0.586 1.00 0.00 C ATOM 270 C ARG A 17 -2.734 4.528 -0.396 1.00 0.00 C ATOM 271 O ARG A 17 -2.575 4.045 0.726 1.00 0.00 O ATOM 272 CB ARG A 17 -2.455 7.010 -0.423 1.00 0.00 C ATOM 273 CG ARG A 17 -1.389 7.025 -1.462 1.00 0.00 C ATOM 274 CD ARG A 17 -0.405 8.160 -1.227 1.00 0.00 C ATOM 275 NE ARG A 17 0.589 8.283 -2.293 1.00 0.00 N ATOM 276 CZ ARG A 17 1.771 8.884 -2.134 1.00 0.00 C ATOM 277 NH1 ARG A 17 2.109 9.394 -0.957 1.00 0.00 N ATOM 278 NH2 ARG A 17 2.612 8.984 -3.153 1.00 0.00 N ATOM 0 H ARG A 17 -4.300 6.826 1.017 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.854 5.854 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.000 7.953 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.992 6.946 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.858 6.073 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.841 7.131 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.954 9.098 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.106 8.000 -0.278 1.00 0.00 H new ATOM 0 HE ARG A 17 0.367 7.888 -3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.465 9.328 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.013 9.852 -0.840 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.358 8.601 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.514 9.444 -3.027 1.00 0.00 H new ATOM 292 N LEU A 18 -2.328 3.943 -1.504 1.00 0.00 N ATOM 293 CA LEU A 18 -1.638 2.664 -1.495 1.00 0.00 C ATOM 294 C LEU A 18 -0.156 2.873 -1.779 1.00 0.00 C ATOM 295 O LEU A 18 0.216 3.345 -2.852 1.00 0.00 O ATOM 296 CB LEU A 18 -2.251 1.730 -2.542 1.00 0.00 C ATOM 297 CG LEU A 18 -3.759 1.502 -2.412 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.260 0.587 -3.519 1.00 0.00 C ATOM 299 CD2 LEU A 18 -4.095 0.925 -1.046 1.00 0.00 C ATOM 0 H LEU A 18 -2.465 4.337 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.748 2.207 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.046 2.137 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.748 0.765 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.262 2.464 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.334 0.437 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.054 1.042 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.751 -0.375 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.171 0.769 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.581 -0.027 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.774 1.619 -0.269 1.00 0.00 H new ATOM 311 N GLU A 19 0.681 2.536 -0.813 1.00 0.00 N ATOM 312 CA GLU A 19 2.112 2.749 -0.935 1.00 0.00 C ATOM 313 C GLU A 19 2.814 1.438 -1.267 1.00 0.00 C ATOM 314 O GLU A 19 2.559 0.403 -0.646 1.00 0.00 O ATOM 315 CB GLU A 19 2.658 3.363 0.355 1.00 0.00 C ATOM 316 CG GLU A 19 1.995 4.689 0.705 1.00 0.00 C ATOM 317 CD GLU A 19 2.515 5.301 1.987 1.00 0.00 C ATOM 318 OE1 GLU A 19 3.575 5.965 1.944 1.00 0.00 O ATOM 319 OE2 GLU A 19 1.862 5.134 3.039 1.00 0.00 O ATOM 0 H GLU A 19 0.392 2.112 0.068 1.00 0.00 H new ATOM 0 HA GLU A 19 2.305 3.445 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.512 2.661 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.733 3.515 0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.151 5.392 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.919 4.537 0.794 1.00 0.00 H new ATOM 326 N TYR A 20 3.684 1.485 -2.264 1.00 0.00 N ATOM 327 CA TYR A 20 4.345 0.291 -2.765 1.00 0.00 C ATOM 328 C TYR A 20 5.709 0.097 -2.114 1.00 0.00 C ATOM 329 O TYR A 20 6.514 1.027 -2.044 1.00 0.00 O ATOM 330 CB TYR A 20 4.502 0.390 -4.290 1.00 0.00 C ATOM 331 CG TYR A 20 5.282 -0.751 -4.915 1.00 0.00 C ATOM 332 CD1 TYR A 20 4.655 -1.940 -5.269 1.00 0.00 C ATOM 333 CD2 TYR A 20 6.648 -0.636 -5.155 1.00 0.00 C ATOM 334 CE1 TYR A 20 5.366 -2.979 -5.839 1.00 0.00 C ATOM 335 CE2 TYR A 20 7.364 -1.671 -5.724 1.00 0.00 C ATOM 336 CZ TYR A 20 6.718 -2.839 -6.063 1.00 0.00 C ATOM 337 OH TYR A 20 7.428 -3.874 -6.629 1.00 0.00 O ATOM 0 H TYR A 20 3.950 2.344 -2.745 1.00 0.00 H new ATOM 0 HA TYR A 20 3.728 -0.572 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.511 0.428 -4.743 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.999 1.329 -4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.595 -2.054 -5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.157 0.279 -4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.864 -3.897 -6.108 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.424 -1.565 -5.902 1.00 0.00 H new ATOM 0 HH TYR A 20 8.178 -3.512 -7.146 1.00 0.00 H new ATOM 347 N HIS A 21 5.963 -1.114 -1.635 1.00 0.00 N ATOM 348 CA HIS A 21 7.289 -1.477 -1.169 1.00 0.00 C ATOM 349 C HIS A 21 7.782 -2.674 -1.974 1.00 0.00 C ATOM 350 O HIS A 21 7.061 -3.654 -2.158 1.00 0.00 O ATOM 351 CB HIS A 21 7.300 -1.777 0.333 1.00 0.00 C ATOM 352 CG HIS A 21 8.656 -1.603 0.955 1.00 0.00 C ATOM 353 ND1 HIS A 21 9.021 -0.480 1.665 1.00 0.00 N ATOM 354 CD2 HIS A 21 9.746 -2.407 0.955 1.00 0.00 C ATOM 355 CE1 HIS A 21 10.271 -0.603 2.070 1.00 0.00 C ATOM 356 NE2 HIS A 21 10.737 -1.763 1.652 1.00 0.00 N ATOM 0 H HIS A 21 5.269 -1.857 -1.560 1.00 0.00 H new ATOM 0 HA HIS A 21 7.962 -0.633 -1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.589 -1.120 0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.960 -2.800 0.496 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.821 -3.379 0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.821 0.125 2.648 1.00 0.00 H new ATOM 0 HE2 HIS A 21 11.677 -2.122 1.819 1.00 0.00 H new ATOM 365 N GLN A 22 9.012 -2.584 -2.452 1.00 0.00 N ATOM 366 CA GLN A 22 9.539 -3.542 -3.418 1.00 0.00 C ATOM 367 C GLN A 22 10.052 -4.822 -2.744 1.00 0.00 C ATOM 368 O GLN A 22 10.871 -5.546 -3.308 1.00 0.00 O ATOM 369 CB GLN A 22 10.654 -2.869 -4.232 1.00 0.00 C ATOM 370 CG GLN A 22 11.042 -3.613 -5.504 1.00 0.00 C ATOM 371 CD GLN A 22 12.042 -2.842 -6.341 1.00 0.00 C ATOM 372 OE1 GLN A 22 13.251 -2.980 -6.168 1.00 0.00 O ATOM 373 NE2 GLN A 22 11.544 -2.031 -7.258 1.00 0.00 N ATOM 0 H GLN A 22 9.671 -1.852 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 22 8.728 -3.845 -4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.335 -1.861 -4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.537 -2.768 -3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.464 -4.583 -5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.148 -3.805 -6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.534 -1.946 -7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.170 -1.490 -7.855 1.00 0.00 H new ATOM 382 N ASP A 23 9.548 -5.127 -1.559 1.00 0.00 N ATOM 383 CA ASP A 23 9.957 -6.343 -0.867 1.00 0.00 C ATOM 384 C ASP A 23 9.012 -7.495 -1.203 1.00 0.00 C ATOM 385 O ASP A 23 9.448 -8.632 -1.386 1.00 0.00 O ATOM 386 CB ASP A 23 10.025 -6.124 0.654 1.00 0.00 C ATOM 387 CG ASP A 23 8.668 -5.895 1.292 1.00 0.00 C ATOM 388 OD1 ASP A 23 8.035 -4.862 0.995 1.00 0.00 O ATOM 389 OD2 ASP A 23 8.239 -6.735 2.106 1.00 0.00 O ATOM 0 H ASP A 23 8.864 -4.559 -1.060 1.00 0.00 H new ATOM 0 HA ASP A 23 10.958 -6.603 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.494 -6.992 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.665 -5.266 0.862 1.00 0.00 H new ATOM 394 N LYS A 24 7.718 -7.199 -1.287 1.00 0.00 N ATOM 395 CA LYS A 24 6.722 -8.206 -1.626 1.00 0.00 C ATOM 396 C LYS A 24 5.915 -7.812 -2.859 1.00 0.00 C ATOM 397 O LYS A 24 4.959 -8.497 -3.223 1.00 0.00 O ATOM 398 CB LYS A 24 5.791 -8.424 -0.437 1.00 0.00 C ATOM 399 CG LYS A 24 6.507 -8.983 0.775 1.00 0.00 C ATOM 400 CD LYS A 24 5.558 -9.248 1.931 1.00 0.00 C ATOM 401 CE LYS A 24 6.258 -9.982 3.061 1.00 0.00 C ATOM 402 NZ LYS A 24 7.479 -9.271 3.526 1.00 0.00 N ATOM 0 H LYS A 24 7.336 -6.267 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 24 7.245 -9.133 -1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.321 -7.477 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.992 -9.106 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.011 -9.910 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.279 -8.282 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.158 -8.304 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.711 -9.838 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.568 -10.100 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.529 -10.984 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.496 -9.254 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.324 -9.765 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.472 -8.296 3.164 1.00 0.00 H new ATOM 416 N GLN A 25 6.328 -6.724 -3.513 1.00 0.00 N ATOM 417 CA GLN A 25 5.622 -6.191 -4.679 1.00 0.00 C ATOM 418 C GLN A 25 4.161 -5.845 -4.369 1.00 0.00 C ATOM 419 O GLN A 25 3.342 -5.738 -5.278 1.00 0.00 O ATOM 420 CB GLN A 25 5.688 -7.191 -5.834 1.00 0.00 C ATOM 421 CG GLN A 25 7.010 -7.205 -6.591 1.00 0.00 C ATOM 422 CD GLN A 25 8.239 -7.242 -5.709 1.00 0.00 C ATOM 423 OE1 GLN A 25 8.703 -8.311 -5.313 1.00 0.00 O ATOM 424 NE2 GLN A 25 8.796 -6.076 -5.424 1.00 0.00 N ATOM 0 H GLN A 25 7.157 -6.190 -3.251 1.00 0.00 H new ATOM 0 HA GLN A 25 6.122 -5.265 -4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.499 -8.190 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.885 -6.967 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.026 -8.072 -7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.060 -6.320 -7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.379 -5.213 -5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.642 -6.040 -4.856 1.00 0.00 H new ATOM 433 N GLU A 26 3.842 -5.632 -3.100 1.00 0.00 N ATOM 434 CA GLU A 26 2.464 -5.398 -2.698 1.00 0.00 C ATOM 435 C GLU A 26 2.224 -3.936 -2.332 1.00 0.00 C ATOM 436 O GLU A 26 3.166 -3.184 -2.068 1.00 0.00 O ATOM 437 CB GLU A 26 2.107 -6.291 -1.515 1.00 0.00 C ATOM 438 CG GLU A 26 2.307 -7.770 -1.792 1.00 0.00 C ATOM 439 CD GLU A 26 1.858 -8.650 -0.648 1.00 0.00 C ATOM 440 OE1 GLU A 26 2.566 -8.714 0.378 1.00 0.00 O ATOM 441 OE2 GLU A 26 0.793 -9.284 -0.775 1.00 0.00 O ATOM 0 H GLU A 26 4.516 -5.617 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 26 1.825 -5.641 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.715 -6.005 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.066 -6.118 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.756 -8.043 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.362 -7.957 -1.995 1.00 0.00 H new ATOM 448 N LEU A 27 0.954 -3.546 -2.317 1.00 0.00 N ATOM 449 CA LEU A 27 0.566 -2.193 -1.938 1.00 0.00 C ATOM 450 C LEU A 27 0.069 -2.178 -0.501 1.00 0.00 C ATOM 451 O LEU A 27 -0.950 -2.790 -0.184 1.00 0.00 O ATOM 452 CB LEU A 27 -0.526 -1.658 -2.870 1.00 0.00 C ATOM 453 CG LEU A 27 -0.088 -1.402 -4.314 1.00 0.00 C ATOM 454 CD1 LEU A 27 -1.266 -0.942 -5.155 1.00 0.00 C ATOM 455 CD2 LEU A 27 1.024 -0.366 -4.358 1.00 0.00 C ATOM 0 H LEU A 27 0.172 -4.152 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 27 1.441 -1.549 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.352 -2.369 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.911 -0.727 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 27 0.290 -2.337 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.935 -0.765 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.038 -1.711 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.671 -0.019 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.323 -0.197 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.668 0.569 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.880 -0.727 -3.788 1.00 0.00 H new ATOM 467 N TRP A 28 0.789 -1.479 0.358 1.00 0.00 N ATOM 468 CA TRP A 28 0.446 -1.408 1.771 1.00 0.00 C ATOM 469 C TRP A 28 -0.141 -0.038 2.087 1.00 0.00 C ATOM 470 O TRP A 28 0.324 0.974 1.563 1.00 0.00 O ATOM 471 CB TRP A 28 1.686 -1.678 2.637 1.00 0.00 C ATOM 472 CG TRP A 28 2.139 -3.113 2.625 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.235 -3.943 1.542 1.00 0.00 C ATOM 474 CD2 TRP A 28 2.570 -3.883 3.754 1.00 0.00 C ATOM 475 NE1 TRP A 28 2.683 -5.182 1.933 1.00 0.00 N ATOM 476 CE2 TRP A 28 2.897 -5.171 3.285 1.00 0.00 C ATOM 477 CE3 TRP A 28 2.708 -3.610 5.118 1.00 0.00 C ATOM 478 CZ2 TRP A 28 3.350 -6.180 4.134 1.00 0.00 C ATOM 479 CZ3 TRP A 28 3.158 -4.612 5.958 1.00 0.00 C ATOM 480 CH2 TRP A 28 3.476 -5.881 5.464 1.00 0.00 C ATOM 0 H TRP A 28 1.621 -0.948 0.101 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.298 -2.172 1.997 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.504 -1.046 2.290 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.470 -1.384 3.664 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.994 -3.665 0.527 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.832 -5.980 1.316 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.467 -2.633 5.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.593 -7.162 3.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.266 -4.411 7.014 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.828 -6.641 6.146 1.00 0.00 H new ATOM 491 N SER A 29 -1.173 -0.007 2.917 1.00 0.00 N ATOM 492 CA SER A 29 -1.834 1.242 3.254 1.00 0.00 C ATOM 493 C SER A 29 -2.141 1.314 4.744 1.00 0.00 C ATOM 494 O SER A 29 -2.813 0.439 5.293 1.00 0.00 O ATOM 495 CB SER A 29 -3.130 1.377 2.450 1.00 0.00 C ATOM 496 OG SER A 29 -3.762 2.625 2.691 1.00 0.00 O ATOM 0 H SER A 29 -1.569 -0.832 3.368 1.00 0.00 H new ATOM 0 HA SER A 29 -1.162 2.063 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.912 1.277 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.810 0.567 2.714 1.00 0.00 H new ATOM 0 HG SER A 29 -3.485 3.269 2.007 1.00 0.00 H new ATOM 502 N ARG A 30 -1.654 2.363 5.394 1.00 0.00 N ATOM 503 CA ARG A 30 -1.960 2.595 6.797 1.00 0.00 C ATOM 504 C ARG A 30 -3.376 3.157 6.912 1.00 0.00 C ATOM 505 O ARG A 30 -4.038 3.013 7.937 1.00 0.00 O ATOM 506 CB ARG A 30 -0.928 3.555 7.419 1.00 0.00 C ATOM 507 CG ARG A 30 -1.019 3.676 8.939 1.00 0.00 C ATOM 508 CD ARG A 30 -2.010 4.746 9.377 1.00 0.00 C ATOM 509 NE ARG A 30 -2.341 4.633 10.798 1.00 0.00 N ATOM 510 CZ ARG A 30 -3.119 5.495 11.456 1.00 0.00 C ATOM 511 NH1 ARG A 30 -3.578 6.586 10.848 1.00 0.00 N ATOM 512 NH2 ARG A 30 -3.422 5.272 12.728 1.00 0.00 N ATOM 0 H ARG A 30 -1.046 3.065 4.972 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.907 1.655 7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.073 3.216 7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.057 4.544 6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.316 2.715 9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.034 3.910 9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.591 5.732 9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.921 4.662 8.784 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.953 3.846 11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.336 6.767 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.172 7.241 11.356 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.061 4.444 13.201 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.016 5.929 13.233 1.00 0.00 H new ATOM 526 N GLN A 31 -3.838 3.771 5.830 1.00 0.00 N ATOM 527 CA GLN A 31 -5.154 4.380 5.787 1.00 0.00 C ATOM 528 C GLN A 31 -6.248 3.324 5.864 1.00 0.00 C ATOM 529 O GLN A 31 -7.300 3.547 6.463 1.00 0.00 O ATOM 530 CB GLN A 31 -5.305 5.201 4.509 1.00 0.00 C ATOM 531 CG GLN A 31 -4.689 6.593 4.575 1.00 0.00 C ATOM 532 CD GLN A 31 -3.188 6.581 4.786 1.00 0.00 C ATOM 533 OE1 GLN A 31 -2.416 6.530 3.831 1.00 0.00 O ATOM 534 NE2 GLN A 31 -2.767 6.627 6.040 1.00 0.00 N ATOM 0 H GLN A 31 -3.310 3.859 4.962 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.256 5.037 6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.847 4.654 3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.366 5.298 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.914 7.125 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.157 7.151 5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.442 6.669 6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.767 6.621 6.243 1.00 0.00 H new ATOM 543 N ALA A 32 -6.000 2.172 5.257 1.00 0.00 N ATOM 544 CA ALA A 32 -6.962 1.081 5.293 1.00 0.00 C ATOM 545 C ALA A 32 -6.563 0.043 6.326 1.00 0.00 C ATOM 546 O ALA A 32 -7.369 -0.810 6.707 1.00 0.00 O ATOM 547 CB ALA A 32 -7.083 0.439 3.923 1.00 0.00 C ATOM 0 H ALA A 32 -5.146 1.970 4.737 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.931 1.491 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.806 -0.375 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.417 1.184 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.113 0.047 3.618 1.00 0.00 H new ATOM 553 N LYS A 33 -5.310 0.135 6.772 1.00 0.00 N ATOM 554 CA LYS A 33 -4.720 -0.831 7.696 1.00 0.00 C ATOM 555 C LYS A 33 -4.699 -2.215 7.064 1.00 0.00 C ATOM 556 O LYS A 33 -4.667 -3.233 7.750 1.00 0.00 O ATOM 557 CB LYS A 33 -5.465 -0.843 9.034 1.00 0.00 C ATOM 558 CG LYS A 33 -5.349 0.467 9.794 1.00 0.00 C ATOM 559 CD LYS A 33 -6.077 0.424 11.129 1.00 0.00 C ATOM 560 CE LYS A 33 -5.895 1.730 11.887 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.579 1.721 13.205 1.00 0.00 N ATOM 0 H LYS A 33 -4.674 0.885 6.501 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.692 -0.530 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.518 -1.060 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.074 -1.651 9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.297 0.695 9.963 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.756 1.275 9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.138 0.240 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.699 -0.405 11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.831 1.916 12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.282 2.553 11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.425 2.632 13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.599 1.571 13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.193 0.954 13.791 1.00 0.00 H new ATOM 575 N LEU A 34 -4.681 -2.223 5.739 1.00 0.00 N ATOM 576 CA LEU A 34 -4.655 -3.453 4.962 1.00 0.00 C ATOM 577 C LEU A 34 -3.617 -3.345 3.854 1.00 0.00 C ATOM 578 O LEU A 34 -2.973 -2.308 3.691 1.00 0.00 O ATOM 579 CB LEU A 34 -6.024 -3.734 4.337 1.00 0.00 C ATOM 580 CG LEU A 34 -7.175 -3.969 5.320 1.00 0.00 C ATOM 581 CD1 LEU A 34 -8.498 -4.043 4.574 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.951 -5.245 6.116 1.00 0.00 C ATOM 0 H LEU A 34 -4.684 -1.375 5.172 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.398 -4.271 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.287 -2.894 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.935 -4.611 3.696 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.208 -3.130 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.307 -4.210 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.669 -3.107 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.467 -4.865 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.780 -5.392 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.892 -6.093 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.020 -5.165 6.677 1.00 0.00 H new ATOM 594 N ALA A 35 -3.472 -4.414 3.096 1.00 0.00 N ATOM 595 CA ALA A 35 -2.570 -4.443 1.962 1.00 0.00 C ATOM 596 C ALA A 35 -3.239 -5.174 0.811 1.00 0.00 C ATOM 597 O ALA A 35 -4.187 -5.936 1.023 1.00 0.00 O ATOM 598 CB ALA A 35 -1.255 -5.112 2.337 1.00 0.00 C ATOM 0 H ALA A 35 -3.976 -5.287 3.249 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.344 -3.422 1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.593 -5.123 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.783 -4.557 3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.447 -6.135 2.660 1.00 0.00 H new ATOM 604 N TYR A 36 -2.774 -4.932 -0.403 1.00 0.00 N ATOM 605 CA TYR A 36 -3.350 -5.575 -1.573 1.00 0.00 C ATOM 606 C TYR A 36 -2.260 -6.259 -2.388 1.00 0.00 C ATOM 607 O TYR A 36 -1.151 -5.739 -2.510 1.00 0.00 O ATOM 608 CB TYR A 36 -4.094 -4.543 -2.430 1.00 0.00 C ATOM 609 CG TYR A 36 -5.223 -3.857 -1.691 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.478 -4.446 -1.599 1.00 0.00 C ATOM 611 CD2 TYR A 36 -5.032 -2.625 -1.078 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.510 -3.827 -0.917 1.00 0.00 C ATOM 613 CE2 TYR A 36 -6.058 -2.003 -0.391 1.00 0.00 C ATOM 614 CZ TYR A 36 -7.295 -2.605 -0.316 1.00 0.00 C ATOM 615 OH TYR A 36 -8.318 -1.987 0.368 1.00 0.00 O ATOM 0 H TYR A 36 -2.002 -4.297 -0.604 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.062 -6.332 -1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.386 -3.791 -2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.495 -5.037 -3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.651 -5.403 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.066 -2.145 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.480 -4.299 -0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.890 -1.048 0.085 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.952 -1.269 0.926 1.00 0.00 H new ATOM 625 N PRO A 37 -2.569 -7.430 -2.965 1.00 0.00 N ATOM 626 CA PRO A 37 -1.613 -8.212 -3.747 1.00 0.00 C ATOM 627 C PRO A 37 -1.408 -7.653 -5.151 1.00 0.00 C ATOM 628 O PRO A 37 -2.348 -7.572 -5.946 1.00 0.00 O ATOM 629 CB PRO A 37 -2.254 -9.608 -3.826 1.00 0.00 C ATOM 630 CG PRO A 37 -3.480 -9.550 -2.971 1.00 0.00 C ATOM 631 CD PRO A 37 -3.866 -8.104 -2.887 1.00 0.00 C ATOM 0 HA PRO A 37 -0.625 -8.206 -3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.508 -9.863 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.566 -10.374 -3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.285 -10.143 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.282 -9.958 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.526 -7.811 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.388 -7.876 -1.958 1.00 0.00 H new ATOM 639 N ILE A 38 -0.180 -7.259 -5.442 1.00 0.00 N ATOM 640 CA ILE A 38 0.177 -6.783 -6.766 1.00 0.00 C ATOM 641 C ILE A 38 1.215 -7.711 -7.377 1.00 0.00 C ATOM 642 O ILE A 38 2.262 -7.961 -6.783 1.00 0.00 O ATOM 643 CB ILE A 38 0.750 -5.347 -6.724 1.00 0.00 C ATOM 644 CG1 ILE A 38 -0.246 -4.384 -6.077 1.00 0.00 C ATOM 645 CG2 ILE A 38 1.118 -4.872 -8.122 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.574 -4.315 -6.792 1.00 0.00 C ATOM 0 H ILE A 38 0.591 -7.260 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.730 -6.772 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 38 1.655 -5.363 -6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.415 -4.689 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.193 -3.387 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.519 -3.860 -8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.869 -5.538 -8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.230 -4.878 -8.754 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.229 -3.612 -6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.418 -3.980 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.035 -5.303 -6.799 1.00 0.00 H new ATOM 658 N LYS A 39 0.926 -8.239 -8.552 1.00 0.00 N ATOM 659 CA LYS A 39 1.872 -9.112 -9.214 1.00 0.00 C ATOM 660 C LYS A 39 2.386 -8.481 -10.499 1.00 0.00 C ATOM 661 O LYS A 39 1.776 -8.618 -11.558 1.00 0.00 O ATOM 662 CB LYS A 39 1.246 -10.480 -9.488 1.00 0.00 C ATOM 663 CG LYS A 39 2.243 -11.498 -10.010 1.00 0.00 C ATOM 664 CD LYS A 39 1.712 -12.916 -9.902 1.00 0.00 C ATOM 665 CE LYS A 39 2.761 -13.929 -10.327 1.00 0.00 C ATOM 666 NZ LYS A 39 3.985 -13.855 -9.484 1.00 0.00 N ATOM 0 H LYS A 39 0.056 -8.081 -9.060 1.00 0.00 H new ATOM 0 HA LYS A 39 2.723 -9.257 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.797 -10.858 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.440 -10.365 -10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.477 -11.276 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.174 -11.415 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.405 -13.115 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.825 -13.024 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.340 -14.933 -10.267 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.029 -13.757 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.283 -14.816 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.747 -13.390 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.781 -13.307 -8.624 1.00 0.00 H new ATOM 680 N ASP A 40 3.485 -7.736 -10.369 1.00 0.00 N ATOM 681 CA ASP A 40 4.182 -7.122 -11.508 1.00 0.00 C ATOM 682 C ASP A 40 3.254 -6.273 -12.376 1.00 0.00 C ATOM 683 O ASP A 40 3.403 -6.230 -13.598 1.00 0.00 O ATOM 684 CB ASP A 40 4.863 -8.196 -12.364 1.00 0.00 C ATOM 685 CG ASP A 40 6.065 -8.811 -11.680 1.00 0.00 C ATOM 686 OD1 ASP A 40 7.138 -8.170 -11.656 1.00 0.00 O ATOM 687 OD2 ASP A 40 5.949 -9.945 -11.175 1.00 0.00 O ATOM 0 H ASP A 40 3.921 -7.539 -9.468 1.00 0.00 H new ATOM 0 HA ASP A 40 4.937 -6.455 -11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.142 -8.980 -12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.174 -7.756 -13.312 1.00 0.00 H new ATOM 692 N GLY A 41 2.309 -5.588 -11.745 1.00 0.00 N ATOM 693 CA GLY A 41 1.417 -4.713 -12.483 1.00 0.00 C ATOM 694 C GLY A 41 0.025 -5.293 -12.639 1.00 0.00 C ATOM 695 O GLY A 41 -0.810 -4.730 -13.344 1.00 0.00 O ATOM 0 H GLY A 41 2.144 -5.622 -10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.351 -3.753 -11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.838 -4.520 -13.470 1.00 0.00 H new ATOM 699 N ILE A 42 -0.221 -6.416 -11.983 1.00 0.00 N ATOM 700 CA ILE A 42 -1.527 -7.062 -12.015 1.00 0.00 C ATOM 701 C ILE A 42 -2.219 -6.872 -10.669 1.00 0.00 C ATOM 702 O ILE A 42 -2.018 -7.658 -9.739 1.00 0.00 O ATOM 703 CB ILE A 42 -1.429 -8.568 -12.358 1.00 0.00 C ATOM 704 CG1 ILE A 42 -0.657 -8.771 -13.668 1.00 0.00 C ATOM 705 CG2 ILE A 42 -2.819 -9.183 -12.460 1.00 0.00 C ATOM 706 CD1 ILE A 42 -1.308 -8.119 -14.870 1.00 0.00 C ATOM 0 H ILE A 42 0.473 -6.904 -11.416 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.113 -6.593 -12.806 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.887 -9.069 -11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.350 -8.371 -13.551 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.556 -9.840 -13.857 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.731 -10.242 -12.702 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.338 -9.070 -11.508 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.384 -8.678 -13.243 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.704 -8.307 -15.758 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.305 -8.536 -15.015 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.385 -7.044 -14.704 1.00 0.00 H new ATOM 718 N PRO A 43 -2.977 -5.773 -10.523 1.00 0.00 N ATOM 719 CA PRO A 43 -3.560 -5.370 -9.248 1.00 0.00 C ATOM 720 C PRO A 43 -4.777 -6.195 -8.853 1.00 0.00 C ATOM 721 O PRO A 43 -5.849 -6.062 -9.443 1.00 0.00 O ATOM 722 CB PRO A 43 -3.970 -3.904 -9.472 1.00 0.00 C ATOM 723 CG PRO A 43 -3.509 -3.548 -10.851 1.00 0.00 C ATOM 724 CD PRO A 43 -3.351 -4.842 -11.591 1.00 0.00 C ATOM 0 HA PRO A 43 -2.848 -5.514 -8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.049 -3.783 -9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.511 -3.253 -8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.233 -2.902 -11.348 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.566 -3.002 -10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.275 -5.142 -12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.583 -4.778 -12.361 1.00 0.00 H new ATOM 732 N TYR A 44 -4.609 -7.045 -7.851 1.00 0.00 N ATOM 733 CA TYR A 44 -5.731 -7.769 -7.278 1.00 0.00 C ATOM 734 C TYR A 44 -6.202 -7.057 -6.021 1.00 0.00 C ATOM 735 O TYR A 44 -6.210 -7.622 -4.929 1.00 0.00 O ATOM 736 CB TYR A 44 -5.356 -9.222 -6.969 1.00 0.00 C ATOM 737 CG TYR A 44 -5.181 -10.075 -8.205 1.00 0.00 C ATOM 738 CD1 TYR A 44 -6.287 -10.555 -8.896 1.00 0.00 C ATOM 739 CD2 TYR A 44 -3.918 -10.397 -8.682 1.00 0.00 C ATOM 740 CE1 TYR A 44 -6.138 -11.330 -10.030 1.00 0.00 C ATOM 741 CE2 TYR A 44 -3.761 -11.171 -9.815 1.00 0.00 C ATOM 742 CZ TYR A 44 -4.874 -11.636 -10.485 1.00 0.00 C ATOM 743 OH TYR A 44 -4.722 -12.404 -11.618 1.00 0.00 O ATOM 0 H TYR A 44 -3.708 -7.249 -7.419 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.542 -7.790 -8.006 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.430 -9.236 -6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.129 -9.663 -6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.279 -10.318 -8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.044 -10.037 -8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.008 -11.694 -10.557 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.771 -11.411 -10.175 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.768 -12.527 -11.804 1.00 0.00 H new ATOM 753 N MET A 45 -6.593 -5.803 -6.189 1.00 0.00 N ATOM 754 CA MET A 45 -7.004 -4.974 -5.069 1.00 0.00 C ATOM 755 C MET A 45 -8.460 -5.240 -4.705 1.00 0.00 C ATOM 756 O MET A 45 -9.352 -4.439 -4.980 1.00 0.00 O ATOM 757 CB MET A 45 -6.765 -3.485 -5.367 1.00 0.00 C ATOM 758 CG MET A 45 -7.387 -2.996 -6.670 1.00 0.00 C ATOM 759 SD MET A 45 -7.029 -1.259 -7.006 1.00 0.00 S ATOM 760 CE MET A 45 -7.739 -0.483 -5.560 1.00 0.00 C ATOM 0 H MET A 45 -6.634 -5.336 -7.095 1.00 0.00 H new ATOM 0 HA MET A 45 -6.391 -5.239 -4.208 1.00 0.00 H new ATOM 0 HB2 MET A 45 -7.165 -2.893 -4.543 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.691 -3.301 -5.400 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.017 -3.605 -7.495 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.467 -3.138 -6.628 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.890 0.579 -5.754 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.697 -0.949 -5.330 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.064 -0.605 -4.713 1.00 0.00 H new ATOM 770 N LEU A 46 -8.690 -6.408 -4.130 1.00 0.00 N ATOM 771 CA LEU A 46 -10.000 -6.794 -3.655 1.00 0.00 C ATOM 772 C LEU A 46 -9.979 -6.931 -2.138 1.00 0.00 C ATOM 773 O LEU A 46 -9.282 -7.789 -1.603 1.00 0.00 O ATOM 774 CB LEU A 46 -10.407 -8.118 -4.300 1.00 0.00 C ATOM 775 CG LEU A 46 -10.531 -8.090 -5.825 1.00 0.00 C ATOM 776 CD1 LEU A 46 -10.860 -9.476 -6.355 1.00 0.00 C ATOM 777 CD2 LEU A 46 -11.590 -7.088 -6.257 1.00 0.00 C ATOM 0 H LEU A 46 -7.969 -7.114 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.726 -6.028 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.675 -8.878 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.363 -8.430 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.574 -7.778 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.945 -9.440 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.067 -10.170 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.804 -9.814 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.664 -7.082 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.553 -7.369 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.314 -6.093 -5.907 1.00 0.00 H new ATOM 789 N GLU A 47 -10.737 -6.080 -1.459 1.00 0.00 N ATOM 790 CA GLU A 47 -10.773 -6.058 0.002 1.00 0.00 C ATOM 791 C GLU A 47 -11.334 -7.366 0.551 1.00 0.00 C ATOM 792 O GLU A 47 -10.945 -7.822 1.630 1.00 0.00 O ATOM 793 CB GLU A 47 -11.635 -4.896 0.504 1.00 0.00 C ATOM 794 CG GLU A 47 -11.222 -3.522 -0.005 1.00 0.00 C ATOM 795 CD GLU A 47 -11.607 -3.297 -1.452 1.00 0.00 C ATOM 796 OE1 GLU A 47 -12.772 -3.569 -1.805 1.00 0.00 O ATOM 797 OE2 GLU A 47 -10.746 -2.882 -2.246 1.00 0.00 O ATOM 0 H GLU A 47 -11.342 -5.388 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.750 -5.930 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.670 -5.079 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.607 -4.887 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.686 -2.755 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.143 -3.408 0.102 1.00 0.00 H new ATOM 804 N ASN A 48 -12.263 -7.943 -0.204 1.00 0.00 N ATOM 805 CA ASN A 48 -12.888 -9.223 0.130 1.00 0.00 C ATOM 806 C ASN A 48 -11.847 -10.278 0.493 1.00 0.00 C ATOM 807 O ASN A 48 -12.067 -11.116 1.368 1.00 0.00 O ATOM 808 CB ASN A 48 -13.734 -9.699 -1.056 1.00 0.00 C ATOM 809 CG ASN A 48 -14.481 -10.998 -0.793 1.00 0.00 C ATOM 810 OD1 ASN A 48 -14.685 -11.795 -1.710 1.00 0.00 O ATOM 811 ND2 ASN A 48 -14.923 -11.211 0.437 1.00 0.00 N ATOM 0 H ASN A 48 -12.608 -7.534 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.525 -9.078 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.454 -8.922 -1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.086 -9.832 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.451 -12.057 0.650 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.735 -10.529 1.172 1.00 0.00 H new ATOM 818 N GLU A 49 -10.713 -10.221 -0.173 1.00 0.00 N ATOM 819 CA GLU A 49 -9.614 -11.122 0.114 1.00 0.00 C ATOM 820 C GLU A 49 -8.517 -10.358 0.841 1.00 0.00 C ATOM 821 O GLU A 49 -8.289 -10.560 2.037 1.00 0.00 O ATOM 822 CB GLU A 49 -9.080 -11.723 -1.184 1.00 0.00 C ATOM 823 CG GLU A 49 -10.155 -12.401 -2.017 1.00 0.00 C ATOM 824 CD GLU A 49 -9.598 -13.078 -3.250 1.00 0.00 C ATOM 825 OE1 GLU A 49 -9.487 -12.419 -4.301 1.00 0.00 O ATOM 826 OE2 GLU A 49 -9.288 -14.286 -3.176 1.00 0.00 O ATOM 0 H GLU A 49 -10.526 -9.555 -0.923 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.963 -11.936 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.613 -10.936 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.301 -12.448 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.672 -13.140 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.897 -11.661 -2.318 1.00 0.00 H new ATOM 833 N ALA A 50 -7.883 -9.448 0.101 1.00 0.00 N ATOM 834 CA ALA A 50 -6.860 -8.544 0.628 1.00 0.00 C ATOM 835 C ALA A 50 -5.697 -9.279 1.292 1.00 0.00 C ATOM 836 O ALA A 50 -5.601 -10.506 1.263 1.00 0.00 O ATOM 837 CB ALA A 50 -7.481 -7.549 1.601 1.00 0.00 C ATOM 0 H ALA A 50 -8.068 -9.316 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.446 -8.009 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.707 -6.884 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.241 -6.962 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.939 -8.088 2.430 1.00 0.00 H new ATOM 843 N ARG A 51 -4.794 -8.499 1.857 1.00 0.00 N ATOM 844 CA ARG A 51 -3.661 -9.016 2.587 1.00 0.00 C ATOM 845 C ARG A 51 -3.541 -8.297 3.927 1.00 0.00 C ATOM 846 O ARG A 51 -2.870 -7.273 4.037 1.00 0.00 O ATOM 847 CB ARG A 51 -2.398 -8.841 1.754 1.00 0.00 C ATOM 848 CG ARG A 51 -2.221 -9.920 0.694 1.00 0.00 C ATOM 849 CD ARG A 51 -1.338 -11.045 1.203 1.00 0.00 C ATOM 850 NE ARG A 51 0.036 -10.588 1.357 1.00 0.00 N ATOM 851 CZ ARG A 51 0.800 -10.820 2.418 1.00 0.00 C ATOM 852 NH1 ARG A 51 0.357 -11.564 3.426 1.00 0.00 N ATOM 853 NH2 ARG A 51 2.018 -10.304 2.469 1.00 0.00 N ATOM 0 H ARG A 51 -4.831 -7.480 1.819 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.800 -10.079 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.424 -7.865 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.531 -8.845 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.195 -10.318 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.780 -9.485 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.716 -11.407 2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.372 -11.884 0.508 1.00 0.00 H new ATOM 0 HE ARG A 51 0.442 -10.049 0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.580 -11.965 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.954 -11.734 4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.363 -9.733 1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.612 -10.477 3.280 1.00 0.00 H new ATOM 867 N PRO A 52 -4.254 -8.791 4.947 1.00 0.00 N ATOM 868 CA PRO A 52 -4.297 -8.159 6.267 1.00 0.00 C ATOM 869 C PRO A 52 -2.963 -8.236 7.008 1.00 0.00 C ATOM 870 O PRO A 52 -2.211 -9.205 6.876 1.00 0.00 O ATOM 871 CB PRO A 52 -5.373 -8.955 7.022 1.00 0.00 C ATOM 872 CG PRO A 52 -6.079 -9.766 5.986 1.00 0.00 C ATOM 873 CD PRO A 52 -5.077 -10.005 4.897 1.00 0.00 C ATOM 0 HA PRO A 52 -4.512 -7.093 6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.925 -9.595 7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.065 -8.288 7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.435 -10.708 6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.952 -9.237 5.604 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.486 -10.903 5.079 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.556 -10.130 3.926 1.00 0.00 H new ATOM 881 N LEU A 53 -2.685 -7.204 7.784 1.00 0.00 N ATOM 882 CA LEU A 53 -1.488 -7.123 8.586 1.00 0.00 C ATOM 883 C LEU A 53 -1.750 -7.659 9.984 1.00 0.00 C ATOM 884 O LEU A 53 -2.841 -8.146 10.284 1.00 0.00 O ATOM 885 CB LEU A 53 -1.024 -5.671 8.688 1.00 0.00 C ATOM 886 CG LEU A 53 -0.550 -5.022 7.388 1.00 0.00 C ATOM 887 CD1 LEU A 53 -1.720 -4.649 6.492 1.00 0.00 C ATOM 888 CD2 LEU A 53 0.298 -3.803 7.698 1.00 0.00 C ATOM 0 H LEU A 53 -3.295 -6.391 7.873 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.714 -7.724 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.845 -5.076 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.211 -5.621 9.412 1.00 0.00 H new ATOM 0 HG LEU A 53 0.056 -5.748 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.346 -4.190 5.577 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.287 -5.546 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.367 -3.943 7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.632 -3.346 6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.293 -3.083 8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.165 -4.103 8.286 1.00 0.00 H new ATOM 900 N SER A 54 -0.736 -7.572 10.823 1.00 0.00 N ATOM 901 CA SER A 54 -0.867 -7.901 12.227 1.00 0.00 C ATOM 902 C SER A 54 -0.391 -6.727 13.073 1.00 0.00 C ATOM 903 O SER A 54 0.199 -5.785 12.545 1.00 0.00 O ATOM 904 CB SER A 54 -0.066 -9.160 12.548 1.00 0.00 C ATOM 905 OG SER A 54 1.203 -9.130 11.914 1.00 0.00 O ATOM 0 H SER A 54 0.200 -7.272 10.550 1.00 0.00 H new ATOM 0 HA SER A 54 -1.914 -8.096 12.457 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.064 -9.247 13.627 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.619 -10.041 12.221 1.00 0.00 H new ATOM 0 HG SER A 54 1.082 -9.106 10.942 1.00 0.00 H new ATOM 911 N GLU A 55 -0.640 -6.798 14.374 1.00 0.00 N ATOM 912 CA GLU A 55 -0.313 -5.727 15.302 1.00 0.00 C ATOM 913 C GLU A 55 1.139 -5.309 15.193 1.00 0.00 C ATOM 914 O GLU A 55 1.439 -4.136 15.002 1.00 0.00 O ATOM 915 CB GLU A 55 -0.565 -6.208 16.719 1.00 0.00 C ATOM 916 CG GLU A 55 -0.973 -5.108 17.666 1.00 0.00 C ATOM 917 CD GLU A 55 -0.161 -5.113 18.946 1.00 0.00 C ATOM 918 OE1 GLU A 55 -0.286 -6.080 19.730 1.00 0.00 O ATOM 919 OE2 GLU A 55 0.619 -4.163 19.167 1.00 0.00 O ATOM 0 H GLU A 55 -1.077 -7.606 14.817 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.939 -4.870 15.055 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.345 -6.969 16.702 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.339 -6.686 17.098 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.857 -4.144 17.170 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.030 -5.216 17.910 1.00 0.00 H new ATOM 926 N GLU A 56 2.030 -6.274 15.341 1.00 0.00 N ATOM 927 CA GLU A 56 3.449 -6.015 15.297 1.00 0.00 C ATOM 928 C GLU A 56 3.829 -5.307 14.002 1.00 0.00 C ATOM 929 O GLU A 56 4.568 -4.328 14.015 1.00 0.00 O ATOM 930 CB GLU A 56 4.219 -7.318 15.435 1.00 0.00 C ATOM 931 CG GLU A 56 5.640 -7.091 15.876 1.00 0.00 C ATOM 932 CD GLU A 56 6.437 -8.370 16.017 1.00 0.00 C ATOM 933 OE1 GLU A 56 6.194 -9.121 16.988 1.00 0.00 O ATOM 934 OE2 GLU A 56 7.312 -8.626 15.169 1.00 0.00 O ATOM 0 H GLU A 56 1.787 -7.253 15.494 1.00 0.00 H new ATOM 0 HA GLU A 56 3.709 -5.361 16.129 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.715 -7.962 16.155 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.216 -7.844 14.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.136 -6.440 15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.637 -6.566 16.831 1.00 0.00 H new ATOM 941 N GLU A 57 3.307 -5.810 12.892 1.00 0.00 N ATOM 942 CA GLU A 57 3.493 -5.186 11.591 1.00 0.00 C ATOM 943 C GLU A 57 2.970 -3.753 11.582 1.00 0.00 C ATOM 944 O GLU A 57 3.662 -2.835 11.151 1.00 0.00 O ATOM 945 CB GLU A 57 2.768 -6.002 10.533 1.00 0.00 C ATOM 946 CG GLU A 57 3.373 -7.378 10.316 1.00 0.00 C ATOM 947 CD GLU A 57 2.694 -8.153 9.207 1.00 0.00 C ATOM 948 OE1 GLU A 57 1.480 -8.423 9.324 1.00 0.00 O ATOM 949 OE2 GLU A 57 3.373 -8.497 8.215 1.00 0.00 O ATOM 0 H GLU A 57 2.744 -6.660 12.869 1.00 0.00 H new ATOM 0 HA GLU A 57 4.561 -5.156 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.723 -6.114 10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.780 -5.455 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.432 -7.271 10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.308 -7.948 11.243 1.00 0.00 H new ATOM 956 N LEU A 58 1.742 -3.586 12.047 1.00 0.00 N ATOM 957 CA LEU A 58 1.112 -2.274 12.178 1.00 0.00 C ATOM 958 C LEU A 58 1.975 -1.330 13.008 1.00 0.00 C ATOM 959 O LEU A 58 2.178 -0.166 12.655 1.00 0.00 O ATOM 960 CB LEU A 58 -0.255 -2.431 12.844 1.00 0.00 C ATOM 961 CG LEU A 58 -1.301 -3.174 12.017 1.00 0.00 C ATOM 962 CD1 LEU A 58 -2.586 -3.333 12.814 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.573 -2.444 10.707 1.00 0.00 C ATOM 0 H LEU A 58 1.148 -4.359 12.347 1.00 0.00 H new ATOM 0 HA LEU A 58 0.997 -1.847 11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.122 -2.957 13.789 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.641 -1.440 13.082 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.912 -4.164 11.780 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.324 -3.864 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.383 -3.899 13.723 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.974 -2.349 13.079 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.321 -2.991 10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.941 -1.440 10.919 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.651 -2.377 10.129 1.00 0.00 H new ATOM 975 N LYS A 59 2.468 -1.849 14.118 1.00 0.00 N ATOM 976 CA LYS A 59 3.291 -1.105 15.041 1.00 0.00 C ATOM 977 C LYS A 59 4.639 -0.774 14.417 1.00 0.00 C ATOM 978 O LYS A 59 5.247 0.261 14.704 1.00 0.00 O ATOM 979 CB LYS A 59 3.476 -1.952 16.296 1.00 0.00 C ATOM 980 CG LYS A 59 4.015 -1.186 17.475 1.00 0.00 C ATOM 981 CD LYS A 59 3.980 -2.027 18.743 1.00 0.00 C ATOM 982 CE LYS A 59 4.345 -1.207 19.967 1.00 0.00 C ATOM 983 NZ LYS A 59 4.155 -1.977 21.228 1.00 0.00 N ATOM 0 H LYS A 59 2.303 -2.814 14.404 1.00 0.00 H new ATOM 0 HA LYS A 59 2.808 -0.161 15.292 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.517 -2.393 16.569 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.153 -2.776 16.070 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.039 -0.874 17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.428 -0.279 17.621 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.984 -2.451 18.872 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.672 -2.863 18.645 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.383 -0.884 19.891 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.733 -0.306 19.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.415 -1.382 22.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.159 -2.263 21.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.758 -2.824 21.212 1.00 0.00 H new ATOM 997 N ALA A 60 5.092 -1.664 13.559 1.00 0.00 N ATOM 998 CA ALA A 60 6.379 -1.516 12.896 1.00 0.00 C ATOM 999 C ALA A 60 6.229 -0.918 11.502 1.00 0.00 C ATOM 1000 O ALA A 60 7.054 -1.164 10.621 1.00 0.00 O ATOM 1001 CB ALA A 60 7.098 -2.857 12.827 1.00 0.00 C ATOM 0 H ALA A 60 4.583 -2.509 13.299 1.00 0.00 H new ATOM 0 HA ALA A 60 6.978 -0.824 13.488 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.059 -2.729 12.328 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.260 -3.235 13.836 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.490 -3.567 12.267 1.00 0.00 H new ATOM 1007 N LEU A 61 5.195 -0.111 11.310 1.00 0.00 N ATOM 1008 CA LEU A 61 5.022 0.608 10.049 1.00 0.00 C ATOM 1009 C LEU A 61 5.876 1.859 10.050 1.00 0.00 C ATOM 1010 O LEU A 61 5.895 2.637 9.096 1.00 0.00 O ATOM 1011 CB LEU A 61 3.554 0.955 9.791 1.00 0.00 C ATOM 1012 CG LEU A 61 2.652 -0.237 9.463 1.00 0.00 C ATOM 1013 CD1 LEU A 61 1.225 0.228 9.215 1.00 0.00 C ATOM 1014 CD2 LEU A 61 3.182 -0.993 8.251 1.00 0.00 C ATOM 0 H LEU A 61 4.467 0.064 12.003 1.00 0.00 H new ATOM 0 HA LEU A 61 5.345 -0.046 9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.156 1.460 10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.505 1.666 8.966 1.00 0.00 H new ATOM 0 HG LEU A 61 2.653 -0.913 10.318 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.597 -0.632 8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.844 0.725 10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.210 0.925 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.527 -1.837 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.211 -0.325 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.187 -1.358 8.461 1.00 0.00 H new ATOM 1026 N GLU A 62 6.591 2.013 11.138 1.00 0.00 N ATOM 1027 CA GLU A 62 7.545 3.091 11.310 1.00 0.00 C ATOM 1028 C GLU A 62 8.954 2.529 11.204 1.00 0.00 C ATOM 1029 O GLU A 62 9.251 1.469 11.757 1.00 0.00 O ATOM 1030 CB GLU A 62 7.342 3.772 12.665 1.00 0.00 C ATOM 1031 CG GLU A 62 6.000 4.480 12.796 1.00 0.00 C ATOM 1032 CD GLU A 62 5.944 5.790 12.032 1.00 0.00 C ATOM 1033 OE1 GLU A 62 6.160 5.784 10.803 1.00 0.00 O ATOM 1034 OE2 GLU A 62 5.680 6.833 12.659 1.00 0.00 O ATOM 0 H GLU A 62 6.529 1.387 11.941 1.00 0.00 H new ATOM 0 HA GLU A 62 7.393 3.838 10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.428 3.025 13.454 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.142 4.495 12.822 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.211 3.821 12.434 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.798 4.671 13.850 1.00 0.00 H new ATOM 1041 N HIS A 63 9.812 3.228 10.492 1.00 0.00 N ATOM 1042 CA HIS A 63 11.169 2.752 10.271 1.00 0.00 C ATOM 1043 C HIS A 63 12.164 3.625 11.024 1.00 0.00 C ATOM 1044 O HIS A 63 12.065 4.853 10.993 1.00 0.00 O ATOM 1045 CB HIS A 63 11.495 2.710 8.768 1.00 0.00 C ATOM 1046 CG HIS A 63 11.453 4.044 8.081 1.00 0.00 C ATOM 1047 ND1 HIS A 63 10.301 4.598 7.562 1.00 0.00 N ATOM 1048 CD2 HIS A 63 12.439 4.933 7.827 1.00 0.00 C ATOM 1049 CE1 HIS A 63 10.586 5.768 7.022 1.00 0.00 C ATOM 1050 NE2 HIS A 63 11.876 5.997 7.172 1.00 0.00 N ATOM 0 H HIS A 63 9.599 4.125 10.056 1.00 0.00 H new ATOM 0 HA HIS A 63 11.248 1.735 10.656 1.00 0.00 H new ATOM 0 HB2 HIS A 63 12.488 2.280 8.637 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.790 2.040 8.275 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.480 4.825 8.092 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.881 6.428 6.538 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.373 6.829 6.853 1.00 0.00 H new ATOM 1059 N HIS A 64 13.106 2.992 11.716 1.00 0.00 N ATOM 1060 CA HIS A 64 14.091 3.726 12.499 1.00 0.00 C ATOM 1061 C HIS A 64 15.039 4.503 11.593 1.00 0.00 C ATOM 1062 O HIS A 64 16.029 3.965 11.094 1.00 0.00 O ATOM 1063 CB HIS A 64 14.883 2.789 13.414 1.00 0.00 C ATOM 1064 CG HIS A 64 15.844 3.509 14.315 1.00 0.00 C ATOM 1065 ND1 HIS A 64 17.189 3.224 14.368 1.00 0.00 N ATOM 1066 CD2 HIS A 64 15.640 4.517 15.197 1.00 0.00 C ATOM 1067 CE1 HIS A 64 17.771 4.023 15.241 1.00 0.00 C ATOM 1068 NE2 HIS A 64 16.854 4.822 15.759 1.00 0.00 N ATOM 0 H HIS A 64 13.207 1.978 11.750 1.00 0.00 H new ATOM 0 HA HIS A 64 13.549 4.436 13.124 1.00 0.00 H new ATOM 0 HB2 HIS A 64 14.186 2.214 14.024 1.00 0.00 H new ATOM 0 HB3 HIS A 64 15.435 2.076 12.802 1.00 0.00 H new ATOM 0 HD2 HIS A 64 14.696 4.993 15.417 1.00 0.00 H new ATOM 0 HE1 HIS A 64 18.822 4.024 15.491 1.00 0.00 H new ATOM 0 HE2 HIS A 64 17.021 5.544 16.459 1.00 0.00 H new ATOM 1077 N HIS A 65 14.701 5.762 11.374 1.00 0.00 N ATOM 1078 CA HIS A 65 15.522 6.669 10.591 1.00 0.00 C ATOM 1079 C HIS A 65 15.019 8.087 10.813 1.00 0.00 C ATOM 1080 O HIS A 65 13.869 8.395 10.502 1.00 0.00 O ATOM 1081 CB HIS A 65 15.455 6.309 9.101 1.00 0.00 C ATOM 1082 CG HIS A 65 16.612 6.821 8.292 1.00 0.00 C ATOM 1083 ND1 HIS A 65 17.473 5.987 7.616 1.00 0.00 N ATOM 1084 CD2 HIS A 65 17.041 8.083 8.042 1.00 0.00 C ATOM 1085 CE1 HIS A 65 18.384 6.706 6.991 1.00 0.00 C ATOM 1086 NE2 HIS A 65 18.146 7.982 7.232 1.00 0.00 N ATOM 0 H HIS A 65 13.846 6.185 11.736 1.00 0.00 H new ATOM 0 HA HIS A 65 16.562 6.588 10.908 1.00 0.00 H new ATOM 0 HB2 HIS A 65 15.409 5.224 9.002 1.00 0.00 H new ATOM 0 HB3 HIS A 65 14.530 6.707 8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 65 16.597 8.996 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 65 19.189 6.317 6.385 1.00 0.00 H new ATOM 0 HE2 HIS A 65 18.693 8.765 6.875 1.00 0.00 H new ATOM 1095 N HIS A 66 15.866 8.935 11.369 1.00 0.00 N ATOM 1096 CA HIS A 66 15.469 10.298 11.692 1.00 0.00 C ATOM 1097 C HIS A 66 15.423 11.138 10.421 1.00 0.00 C ATOM 1098 O HIS A 66 14.354 11.391 9.866 1.00 0.00 O ATOM 1099 CB HIS A 66 16.442 10.903 12.714 1.00 0.00 C ATOM 1100 CG HIS A 66 16.026 12.245 13.239 1.00 0.00 C ATOM 1101 ND1 HIS A 66 14.976 12.416 14.111 1.00 0.00 N ATOM 1102 CD2 HIS A 66 16.539 13.478 13.026 1.00 0.00 C ATOM 1103 CE1 HIS A 66 14.861 13.695 14.411 1.00 0.00 C ATOM 1104 NE2 HIS A 66 15.797 14.364 13.766 1.00 0.00 N ATOM 0 H HIS A 66 16.831 8.707 11.607 1.00 0.00 H new ATOM 0 HA HIS A 66 14.473 10.288 12.135 1.00 0.00 H new ATOM 0 HB2 HIS A 66 16.546 10.214 13.552 1.00 0.00 H new ATOM 0 HB3 HIS A 66 17.425 10.995 12.253 1.00 0.00 H new ATOM 0 HD2 HIS A 66 17.378 13.721 12.391 1.00 0.00 H new ATOM 0 HE1 HIS A 66 14.124 14.123 15.074 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.945 15.372 13.810 1.00 0.00 H new ATOM 1113 N HIS A 67 16.592 11.537 9.955 1.00 0.00 N ATOM 1114 CA HIS A 67 16.717 12.280 8.711 1.00 0.00 C ATOM 1115 C HIS A 67 18.068 11.955 8.104 1.00 0.00 C ATOM 1116 O HIS A 67 18.194 11.730 6.903 1.00 0.00 O ATOM 1117 CB HIS A 67 16.587 13.785 8.957 1.00 0.00 C ATOM 1118 CG HIS A 67 16.284 14.570 7.714 1.00 0.00 C ATOM 1119 ND1 HIS A 67 17.230 15.297 7.018 1.00 0.00 N ATOM 1120 CD2 HIS A 67 15.118 14.739 7.042 1.00 0.00 C ATOM 1121 CE1 HIS A 67 16.657 15.879 5.977 1.00 0.00 C ATOM 1122 NE2 HIS A 67 15.379 15.552 5.970 1.00 0.00 N ATOM 0 H HIS A 67 17.479 11.357 10.425 1.00 0.00 H new ATOM 0 HA HIS A 67 15.918 11.993 8.028 1.00 0.00 H new ATOM 0 HB2 HIS A 67 15.798 13.959 9.689 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.514 14.155 9.394 1.00 0.00 H new ATOM 0 HD2 HIS A 67 14.161 14.312 7.303 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.151 16.513 5.256 1.00 0.00 H new ATOM 0 HE2 HIS A 67 14.695 15.856 5.277 1.00 0.00 H new ATOM 1131 N HIS A 68 19.071 11.930 8.964 1.00 0.00 N ATOM 1132 CA HIS A 68 20.381 11.419 8.618 1.00 0.00 C ATOM 1133 C HIS A 68 20.762 10.341 9.624 1.00 0.00 C ATOM 1134 O HIS A 68 20.561 9.152 9.324 1.00 0.00 O ATOM 1135 CB HIS A 68 21.427 12.543 8.608 1.00 0.00 C ATOM 1136 CG HIS A 68 22.819 12.061 8.322 1.00 0.00 C ATOM 1137 ND1 HIS A 68 23.769 11.884 9.302 1.00 0.00 N ATOM 1138 CD2 HIS A 68 23.412 11.705 7.158 1.00 0.00 C ATOM 1139 CE1 HIS A 68 24.885 11.440 8.757 1.00 0.00 C ATOM 1140 NE2 HIS A 68 24.697 11.320 7.457 1.00 0.00 N ATOM 1141 OXT HIS A 68 21.224 10.696 10.727 1.00 0.00 O ATOM 0 H HIS A 68 18.997 12.265 9.925 1.00 0.00 H new ATOM 0 HA HIS A 68 20.351 10.995 7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.146 13.284 7.859 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.417 13.047 9.574 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.960 11.721 6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.799 11.213 9.286 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.391 10.995 6.784 1.00 0.00 H new TER 1150 HIS A 68