USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 10 TYR OH : rot 180:sc= -0.0107 USER MOD Set 1.2: A 14 GLN : amide:sc= -0.524 K(o=-1.3,f=-2.7) USER MOD Set 1.3: A 45 HIS : no HD1:sc= -0.743 K(o=-1.3,f=-2.1) USER MOD Single : A 1 GLU N :NH3+ 165:sc= -0.22 (180deg=-0.401) USER MOD Single : A 8 THR OG1 : rot -169:sc= -1.11 USER MOD Single : A 16 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0.012) USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 1.46 (180deg=1.44) USER MOD Single : A 19 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-0.0032) USER MOD Single : A 21 ASN : amide:sc= -0.645 K(o=-0.65,f=-0.01) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -81:sc= 1.18 USER MOD Single : A 39 TYR OH : rot -34:sc= 1.09 USER MOD Single : A 42 THR OG1 : rot 140:sc= -0.358 USER MOD Single : A 43 TYR OH : rot -147:sc= -0.262 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 17:sc= 0.199 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 80:sc= 0.591 USER MOD Single : A 63 TYR OH : rot -172:sc= 0.592 USER MOD Single : A 65 GLN : amide:sc= -1.51! K(o=-1.5!,f=0) USER MOD Single : A 75 THR OG1 : rot -20:sc= -0.159 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= -0.0541 (180deg=-0.122) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.04 K(o=-2,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 1.18 (180deg=0.825) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 95 HIS : no HE2:sc= 0.337 K(o=0.34,f=-2.6!) USER MOD Single : A 96 HIS : no HD1:sc=-0.00176 X(o=-0.0018,f=-0.011) USER MOD Single : A 97 HIS : no HD1:sc= -0.602 K(o=-0.6,f=-0.092) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.897 K(o=-0.9,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.006 2.147 16.135 1.00 0.00 N ATOM 2 CA GLU A 1 -13.749 1.440 17.416 1.00 0.00 C ATOM 3 C GLU A 1 -13.776 -0.091 17.224 1.00 0.00 C ATOM 4 O GLU A 1 -13.703 -0.857 18.194 1.00 0.00 O ATOM 5 CB GLU A 1 -14.772 1.900 18.491 1.00 0.00 C ATOM 6 CG GLU A 1 -16.249 1.663 18.119 1.00 0.00 C ATOM 7 CD GLU A 1 -17.232 2.099 19.220 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.589 3.298 19.276 1.00 0.00 O ATOM 9 OE2 GLU A 1 -17.638 1.255 20.048 1.00 0.00 O ATOM 0 H1 GLU A 1 -14.234 3.143 16.328 1.00 0.00 H new ATOM 0 H2 GLU A 1 -13.159 2.096 15.534 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.806 1.698 15.645 1.00 0.00 H new ATOM 0 HA GLU A 1 -12.749 1.699 17.763 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.558 1.377 19.423 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.626 2.963 18.681 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.477 2.206 17.202 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.398 0.604 17.907 1.00 0.00 H new ATOM 18 N ASP A 2 -13.855 -0.523 15.961 1.00 0.00 N ATOM 19 CA ASP A 2 -13.936 -1.940 15.565 1.00 0.00 C ATOM 20 C ASP A 2 -12.707 -2.326 14.723 1.00 0.00 C ATOM 21 O ASP A 2 -12.000 -1.440 14.227 1.00 0.00 O ATOM 22 CB ASP A 2 -15.243 -2.169 14.750 1.00 0.00 C ATOM 23 CG ASP A 2 -16.506 -1.948 15.593 1.00 0.00 C ATOM 24 OD1 ASP A 2 -16.849 -2.847 16.385 1.00 0.00 O ATOM 25 OD2 ASP A 2 -17.143 -0.873 15.485 1.00 0.00 O ATOM 0 H ASP A 2 -13.865 0.114 15.165 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.952 -2.567 16.457 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.258 -1.493 13.895 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.247 -3.184 14.354 1.00 0.00 H new ATOM 30 N PRO A 3 -12.435 -3.663 14.531 1.00 0.00 N ATOM 31 CA PRO A 3 -11.420 -4.144 13.552 1.00 0.00 C ATOM 32 C PRO A 3 -11.772 -3.749 12.100 1.00 0.00 C ATOM 33 O PRO A 3 -10.909 -3.751 11.222 1.00 0.00 O ATOM 34 CB PRO A 3 -11.439 -5.686 13.741 1.00 0.00 C ATOM 35 CG PRO A 3 -12.778 -5.976 14.353 1.00 0.00 C ATOM 36 CD PRO A 3 -13.056 -4.810 15.265 1.00 0.00 C ATOM 0 HA PRO A 3 -10.438 -3.703 13.723 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.318 -6.204 12.789 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.627 -6.016 14.389 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.549 -6.070 13.588 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.763 -6.915 14.907 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.125 -4.662 15.418 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.609 -4.950 16.249 1.00 0.00 H new ATOM 44 N GLU A 4 -13.050 -3.400 11.882 1.00 0.00 N ATOM 45 CA GLU A 4 -13.598 -3.083 10.562 1.00 0.00 C ATOM 46 C GLU A 4 -13.277 -1.647 10.118 1.00 0.00 C ATOM 47 O GLU A 4 -13.469 -1.310 8.946 1.00 0.00 O ATOM 48 CB GLU A 4 -15.118 -3.348 10.575 1.00 0.00 C ATOM 49 CG GLU A 4 -15.500 -4.783 11.010 1.00 0.00 C ATOM 50 CD GLU A 4 -14.742 -5.883 10.236 1.00 0.00 C ATOM 51 OE1 GLU A 4 -15.067 -6.120 9.055 1.00 0.00 O ATOM 52 OE2 GLU A 4 -13.798 -6.500 10.797 1.00 0.00 O ATOM 0 H GLU A 4 -13.738 -3.330 12.632 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.122 -3.730 9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.595 -2.636 11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.518 -3.162 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.301 -4.896 12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.572 -4.924 10.870 1.00 0.00 H new ATOM 59 N ASP A 5 -12.781 -0.815 11.053 1.00 0.00 N ATOM 60 CA ASP A 5 -12.269 0.536 10.741 1.00 0.00 C ATOM 61 C ASP A 5 -11.009 0.411 9.848 1.00 0.00 C ATOM 62 O ASP A 5 -10.138 -0.410 10.173 1.00 0.00 O ATOM 63 CB ASP A 5 -11.926 1.301 12.048 1.00 0.00 C ATOM 64 CG ASP A 5 -13.154 1.634 12.918 1.00 0.00 C ATOM 65 OD1 ASP A 5 -13.956 0.730 13.215 1.00 0.00 O ATOM 66 OD2 ASP A 5 -13.325 2.805 13.318 1.00 0.00 O ATOM 0 H ASP A 5 -12.723 -1.057 12.042 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.037 1.097 10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.229 0.703 12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.413 2.228 11.791 1.00 0.00 H new ATOM 71 N PRO A 6 -10.907 1.192 8.705 1.00 0.00 N ATOM 72 CA PRO A 6 -9.770 1.108 7.753 1.00 0.00 C ATOM 73 C PRO A 6 -8.393 1.230 8.442 1.00 0.00 C ATOM 74 O PRO A 6 -7.459 0.520 8.074 1.00 0.00 O ATOM 75 CB PRO A 6 -10.016 2.274 6.741 1.00 0.00 C ATOM 76 CG PRO A 6 -11.107 3.111 7.351 1.00 0.00 C ATOM 77 CD PRO A 6 -11.911 2.179 8.231 1.00 0.00 C ATOM 0 HA PRO A 6 -9.735 0.133 7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.110 2.860 6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.314 1.891 5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.689 3.932 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.735 3.556 6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.373 2.712 9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.715 1.697 7.675 1.00 0.00 H new ATOM 85 N PHE A 7 -8.295 2.130 9.445 1.00 0.00 N ATOM 86 CA PHE A 7 -7.068 2.316 10.250 1.00 0.00 C ATOM 87 C PHE A 7 -6.705 1.052 11.057 1.00 0.00 C ATOM 88 O PHE A 7 -5.532 0.658 11.118 1.00 0.00 O ATOM 89 CB PHE A 7 -7.232 3.532 11.198 1.00 0.00 C ATOM 90 CG PHE A 7 -5.942 3.968 11.909 1.00 0.00 C ATOM 91 CD1 PHE A 7 -5.021 4.790 11.258 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.650 3.555 13.209 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.855 5.181 11.879 1.00 0.00 C ATOM 94 CE2 PHE A 7 -4.483 3.952 13.828 1.00 0.00 C ATOM 95 CZ PHE A 7 -3.586 4.764 13.164 1.00 0.00 C ATOM 0 H PHE A 7 -9.061 2.746 9.718 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.247 2.504 9.558 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.617 4.374 10.623 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.982 3.290 11.951 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.225 5.125 10.252 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.345 2.918 13.736 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.152 5.814 11.358 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.270 3.626 14.836 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.673 5.072 13.652 1.00 0.00 H new ATOM 105 N THR A 8 -7.727 0.432 11.661 1.00 0.00 N ATOM 106 CA THR A 8 -7.551 -0.697 12.590 1.00 0.00 C ATOM 107 C THR A 8 -7.061 -1.966 11.858 1.00 0.00 C ATOM 108 O THR A 8 -6.111 -2.612 12.298 1.00 0.00 O ATOM 109 CB THR A 8 -8.880 -1.001 13.348 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.438 0.225 13.840 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.664 -1.970 14.523 1.00 0.00 C ATOM 0 H THR A 8 -8.702 0.698 11.520 1.00 0.00 H new ATOM 0 HA THR A 8 -6.788 -0.406 13.312 1.00 0.00 H new ATOM 0 HB THR A 8 -9.563 -1.477 12.645 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.171 0.026 14.459 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.615 -2.154 15.023 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.263 -2.912 14.149 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.961 -1.532 15.231 1.00 0.00 H new ATOM 119 N ARG A 9 -7.729 -2.307 10.740 1.00 0.00 N ATOM 120 CA ARG A 9 -7.398 -3.496 9.914 1.00 0.00 C ATOM 121 C ARG A 9 -6.117 -3.287 9.088 1.00 0.00 C ATOM 122 O ARG A 9 -5.498 -4.259 8.669 1.00 0.00 O ATOM 123 CB ARG A 9 -8.600 -3.906 9.041 1.00 0.00 C ATOM 124 CG ARG A 9 -9.132 -2.808 8.108 1.00 0.00 C ATOM 125 CD ARG A 9 -10.607 -3.014 7.716 1.00 0.00 C ATOM 126 NE ARG A 9 -10.856 -4.323 7.068 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.455 -5.393 7.634 1.00 0.00 C ATOM 128 NH1 ARG A 9 -11.763 -5.403 8.928 1.00 0.00 N ATOM 129 NH2 ARG A 9 -11.714 -6.458 6.897 1.00 0.00 N ATOM 0 H ARG A 9 -8.516 -1.768 10.379 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.188 -4.325 10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.314 -4.767 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.410 -4.230 9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.023 -1.840 8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.522 -2.779 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.229 -2.932 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.912 -2.216 7.039 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.545 -4.426 6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.547 -4.594 9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.215 -6.220 9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.462 -6.468 5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.166 -7.271 7.316 1.00 0.00 H new ATOM 143 N TYR A 10 -5.775 -2.013 8.814 1.00 0.00 N ATOM 144 CA TYR A 10 -4.436 -1.623 8.307 1.00 0.00 C ATOM 145 C TYR A 10 -3.341 -2.039 9.306 1.00 0.00 C ATOM 146 O TYR A 10 -2.357 -2.693 8.938 1.00 0.00 O ATOM 147 CB TYR A 10 -4.395 -0.089 8.059 1.00 0.00 C ATOM 148 CG TYR A 10 -2.998 0.536 7.885 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.272 0.381 6.705 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.415 1.297 8.908 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.025 0.959 6.556 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.178 1.879 8.757 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.487 1.704 7.583 1.00 0.00 C ATOM 154 OH TYR A 10 0.753 2.286 7.432 1.00 0.00 O ATOM 0 H TYR A 10 -6.412 -1.226 8.936 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.249 -2.138 7.364 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.981 0.129 7.166 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.890 0.406 8.894 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.690 -0.199 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.950 1.429 9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.474 0.827 5.637 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.753 2.469 9.556 1.00 0.00 H new ATOM 0 HH TYR A 10 0.986 2.777 8.248 1.00 0.00 H new ATOM 164 N ALA A 11 -3.546 -1.645 10.577 1.00 0.00 N ATOM 165 CA ALA A 11 -2.634 -1.973 11.683 1.00 0.00 C ATOM 166 C ALA A 11 -2.571 -3.492 11.905 1.00 0.00 C ATOM 167 O ALA A 11 -1.507 -4.045 12.173 1.00 0.00 O ATOM 168 CB ALA A 11 -3.084 -1.251 12.962 1.00 0.00 C ATOM 0 H ALA A 11 -4.352 -1.089 10.864 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.631 -1.633 11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.404 -1.498 13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.074 -0.174 12.795 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.094 -1.568 13.223 1.00 0.00 H new ATOM 174 N LEU A 12 -3.735 -4.149 11.738 1.00 0.00 N ATOM 175 CA LEU A 12 -3.887 -5.607 11.854 1.00 0.00 C ATOM 176 C LEU A 12 -3.149 -6.324 10.710 1.00 0.00 C ATOM 177 O LEU A 12 -2.528 -7.358 10.931 1.00 0.00 O ATOM 178 CB LEU A 12 -5.396 -5.981 11.853 1.00 0.00 C ATOM 179 CG LEU A 12 -5.752 -7.504 11.863 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.128 -8.234 13.075 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.287 -7.709 11.812 1.00 0.00 C ATOM 0 H LEU A 12 -4.608 -3.671 11.515 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.444 -5.933 12.795 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.860 -5.519 12.725 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.855 -5.532 10.972 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.319 -7.949 10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.400 -9.289 13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.043 -8.138 13.039 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.501 -7.791 13.998 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.512 -8.775 11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.746 -7.235 12.679 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.684 -7.261 10.901 1.00 0.00 H new ATOM 193 N ALA A 13 -3.209 -5.742 9.499 1.00 0.00 N ATOM 194 CA ALA A 13 -2.511 -6.267 8.312 1.00 0.00 C ATOM 195 C ALA A 13 -0.991 -6.242 8.524 1.00 0.00 C ATOM 196 O ALA A 13 -0.287 -7.170 8.139 1.00 0.00 O ATOM 197 CB ALA A 13 -2.909 -5.477 7.061 1.00 0.00 C ATOM 0 H ALA A 13 -3.744 -4.893 9.316 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.811 -7.304 8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.384 -5.879 6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.984 -5.561 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.642 -4.428 7.193 1.00 0.00 H new ATOM 203 N GLN A 14 -0.515 -5.180 9.193 1.00 0.00 N ATOM 204 CA GLN A 14 0.888 -5.056 9.624 1.00 0.00 C ATOM 205 C GLN A 14 1.256 -6.150 10.643 1.00 0.00 C ATOM 206 O GLN A 14 2.370 -6.670 10.623 1.00 0.00 O ATOM 207 CB GLN A 14 1.125 -3.651 10.222 1.00 0.00 C ATOM 208 CG GLN A 14 0.984 -2.501 9.203 1.00 0.00 C ATOM 209 CD GLN A 14 1.043 -1.109 9.843 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.586 -0.904 10.965 1.00 0.00 O ATOM 211 NE2 GLN A 14 1.642 -0.155 9.159 1.00 0.00 N ATOM 0 H GLN A 14 -1.093 -4.380 9.451 1.00 0.00 H new ATOM 0 HA GLN A 14 1.532 -5.188 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.418 -3.490 11.036 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.124 -3.617 10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.777 -2.585 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.038 -2.609 8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.013 -0.350 8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.734 0.779 9.559 1.00 0.00 H new ATOM 220 N GLU A 15 0.303 -6.503 11.525 1.00 0.00 N ATOM 221 CA GLU A 15 0.498 -7.583 12.510 1.00 0.00 C ATOM 222 C GLU A 15 0.605 -8.952 11.808 1.00 0.00 C ATOM 223 O GLU A 15 1.408 -9.796 12.210 1.00 0.00 O ATOM 224 CB GLU A 15 -0.627 -7.590 13.576 1.00 0.00 C ATOM 225 CG GLU A 15 -0.790 -6.272 14.362 1.00 0.00 C ATOM 226 CD GLU A 15 0.521 -5.774 14.988 1.00 0.00 C ATOM 227 OE1 GLU A 15 0.937 -6.314 16.032 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.158 -4.853 14.428 1.00 0.00 O ATOM 0 H GLU A 15 -0.612 -6.055 11.576 1.00 0.00 H new ATOM 0 HA GLU A 15 1.438 -7.393 13.029 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.572 -7.821 13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.431 -8.396 14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.181 -5.504 13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.530 -6.416 15.150 1.00 0.00 H new ATOM 235 N HIS A 16 -0.199 -9.158 10.747 1.00 0.00 N ATOM 236 CA HIS A 16 -0.106 -10.362 9.904 1.00 0.00 C ATOM 237 C HIS A 16 1.265 -10.436 9.206 1.00 0.00 C ATOM 238 O HIS A 16 1.849 -11.512 9.119 1.00 0.00 O ATOM 239 CB HIS A 16 -1.257 -10.429 8.866 1.00 0.00 C ATOM 240 CG HIS A 16 -2.616 -10.699 9.458 1.00 0.00 C ATOM 241 ND1 HIS A 16 -3.028 -11.953 9.843 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.650 -9.876 9.741 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.249 -11.885 10.334 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.647 -10.635 10.284 1.00 0.00 N ATOM 0 H HIS A 16 -0.923 -8.502 10.454 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.207 -11.227 10.559 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.293 -9.486 8.320 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.029 -11.209 8.139 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.682 -8.810 9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.825 -12.716 10.713 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.553 -10.288 10.599 1.00 0.00 H new ATOM 253 N LEU A 17 1.780 -9.278 8.740 1.00 0.00 N ATOM 254 CA LEU A 17 3.113 -9.189 8.104 1.00 0.00 C ATOM 255 C LEU A 17 4.229 -9.676 9.051 1.00 0.00 C ATOM 256 O LEU A 17 5.024 -10.541 8.684 1.00 0.00 O ATOM 257 CB LEU A 17 3.399 -7.741 7.616 1.00 0.00 C ATOM 258 CG LEU A 17 2.561 -7.277 6.382 1.00 0.00 C ATOM 259 CD1 LEU A 17 2.772 -5.780 6.076 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.879 -8.148 5.143 1.00 0.00 C ATOM 0 H LEU A 17 1.289 -8.386 8.793 1.00 0.00 H new ATOM 0 HA LEU A 17 3.105 -9.849 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.213 -7.053 8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.457 -7.661 7.367 1.00 0.00 H new ATOM 0 HG LEU A 17 1.508 -7.410 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.172 -5.497 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.468 -5.186 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.825 -5.597 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.284 -7.807 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.938 -8.063 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.639 -9.189 5.359 1.00 0.00 H new ATOM 272 N LYS A 18 4.250 -9.148 10.292 1.00 0.00 N ATOM 273 CA LYS A 18 5.292 -9.503 11.288 1.00 0.00 C ATOM 274 C LYS A 18 5.093 -10.930 11.855 1.00 0.00 C ATOM 275 O LYS A 18 6.010 -11.490 12.459 1.00 0.00 O ATOM 276 CB LYS A 18 5.362 -8.443 12.422 1.00 0.00 C ATOM 277 CG LYS A 18 4.063 -8.253 13.227 1.00 0.00 C ATOM 278 CD LYS A 18 4.185 -7.181 14.341 1.00 0.00 C ATOM 279 CE LYS A 18 4.559 -5.786 13.804 1.00 0.00 C ATOM 280 NZ LYS A 18 3.569 -5.275 12.820 1.00 0.00 N ATOM 0 H LYS A 18 3.561 -8.476 10.631 1.00 0.00 H new ATOM 0 HA LYS A 18 6.251 -9.503 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.159 -8.724 13.111 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.642 -7.485 11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.260 -7.971 12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.780 -9.205 13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.238 -7.115 14.877 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.938 -7.500 15.062 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.634 -5.087 14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.543 -5.831 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.881 -4.350 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.490 -5.944 12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.642 -5.173 13.281 1.00 0.00 H new ATOM 294 N HIS A 19 3.885 -11.506 11.671 1.00 0.00 N ATOM 295 CA HIS A 19 3.604 -12.937 11.976 1.00 0.00 C ATOM 296 C HIS A 19 3.747 -13.845 10.728 1.00 0.00 C ATOM 297 O HIS A 19 3.318 -15.000 10.771 1.00 0.00 O ATOM 298 CB HIS A 19 2.180 -13.087 12.589 1.00 0.00 C ATOM 299 CG HIS A 19 2.058 -12.665 14.035 1.00 0.00 C ATOM 300 ND1 HIS A 19 1.656 -13.524 15.036 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.266 -11.470 14.639 1.00 0.00 C ATOM 302 CE1 HIS A 19 1.624 -12.882 16.182 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.991 -11.636 15.970 1.00 0.00 N ATOM 0 H HIS A 19 3.077 -11.000 11.309 1.00 0.00 H new ATOM 0 HA HIS A 19 4.349 -13.264 12.701 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.481 -12.498 11.994 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.872 -14.129 12.503 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.588 -10.557 14.160 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.344 -13.305 17.136 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.060 -10.910 16.683 1.00 0.00 H new ATOM 312 N ASP A 20 4.316 -13.300 9.622 1.00 0.00 N ATOM 313 CA ASP A 20 4.638 -14.052 8.366 1.00 0.00 C ATOM 314 C ASP A 20 3.360 -14.461 7.560 1.00 0.00 C ATOM 315 O ASP A 20 3.435 -15.114 6.511 1.00 0.00 O ATOM 316 CB ASP A 20 5.574 -15.274 8.683 1.00 0.00 C ATOM 317 CG ASP A 20 6.007 -16.099 7.450 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.649 -15.532 6.538 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.698 -17.306 7.381 1.00 0.00 O ATOM 0 H ASP A 20 4.570 -12.314 9.570 1.00 0.00 H new ATOM 0 HA ASP A 20 5.185 -13.378 7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.467 -14.907 9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.061 -15.934 9.382 1.00 0.00 H new ATOM 324 N ASN A 21 2.183 -14.023 8.036 1.00 0.00 N ATOM 325 CA ASN A 21 0.887 -14.213 7.347 1.00 0.00 C ATOM 326 C ASN A 21 0.660 -13.087 6.315 1.00 0.00 C ATOM 327 O ASN A 21 -0.351 -12.372 6.342 1.00 0.00 O ATOM 328 CB ASN A 21 -0.256 -14.285 8.401 1.00 0.00 C ATOM 329 CG ASN A 21 -0.258 -15.588 9.219 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.501 -15.585 10.427 1.00 0.00 O ATOM 331 ND2 ASN A 21 -0.057 -16.717 8.555 1.00 0.00 N ATOM 0 H ASN A 21 2.099 -13.521 8.920 1.00 0.00 H new ATOM 0 HA ASN A 21 0.894 -15.154 6.797 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.165 -13.439 9.082 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.215 -14.184 7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.102 -17.611 9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.142 -16.692 7.555 1.00 0.00 H new ATOM 338 N ALA A 22 1.617 -12.998 5.374 1.00 0.00 N ATOM 339 CA ALA A 22 1.686 -11.949 4.349 1.00 0.00 C ATOM 340 C ALA A 22 0.507 -12.029 3.362 1.00 0.00 C ATOM 341 O ALA A 22 0.023 -10.998 2.911 1.00 0.00 O ATOM 342 CB ALA A 22 3.025 -12.038 3.603 1.00 0.00 C ATOM 0 H ALA A 22 2.380 -13.671 5.306 1.00 0.00 H new ATOM 0 HA ALA A 22 1.617 -10.984 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.071 -11.257 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.845 -11.906 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.111 -13.014 3.126 1.00 0.00 H new ATOM 348 N SER A 23 0.072 -13.261 3.032 1.00 0.00 N ATOM 349 CA SER A 23 -1.099 -13.504 2.165 1.00 0.00 C ATOM 350 C SER A 23 -2.404 -12.934 2.769 1.00 0.00 C ATOM 351 O SER A 23 -3.227 -12.370 2.047 1.00 0.00 O ATOM 352 CB SER A 23 -1.255 -15.016 1.886 1.00 0.00 C ATOM 353 OG SER A 23 -0.081 -15.553 1.299 1.00 0.00 O ATOM 0 H SER A 23 0.522 -14.116 3.359 1.00 0.00 H new ATOM 0 HA SER A 23 -0.920 -12.979 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.472 -15.540 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.104 -15.180 1.223 1.00 0.00 H new ATOM 0 HG SER A 23 -0.206 -16.511 1.135 1.00 0.00 H new ATOM 359 N ARG A 24 -2.580 -13.070 4.097 1.00 0.00 N ATOM 360 CA ARG A 24 -3.785 -12.569 4.795 1.00 0.00 C ATOM 361 C ARG A 24 -3.718 -11.040 4.957 1.00 0.00 C ATOM 362 O ARG A 24 -4.740 -10.350 4.894 1.00 0.00 O ATOM 363 CB ARG A 24 -3.939 -13.265 6.173 1.00 0.00 C ATOM 364 CG ARG A 24 -3.962 -14.811 6.115 1.00 0.00 C ATOM 365 CD ARG A 24 -4.994 -15.373 5.121 1.00 0.00 C ATOM 366 NE ARG A 24 -4.970 -16.854 5.086 1.00 0.00 N ATOM 367 CZ ARG A 24 -5.534 -17.627 4.141 1.00 0.00 C ATOM 368 NH1 ARG A 24 -6.165 -17.089 3.102 1.00 0.00 N ATOM 369 NH2 ARG A 24 -5.470 -18.945 4.246 1.00 0.00 N ATOM 0 H ARG A 24 -1.903 -13.523 4.711 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.661 -12.807 4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.118 -12.951 6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.861 -12.918 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.971 -15.171 5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.178 -15.201 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.991 -15.032 5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.790 -14.982 4.124 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.483 -17.329 5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.227 -16.075 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.587 -17.690 2.394 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.994 -19.371 5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.896 -19.535 3.531 1.00 0.00 H new ATOM 383 N ALA A 25 -2.484 -10.530 5.130 1.00 0.00 N ATOM 384 CA ALA A 25 -2.191 -9.087 5.144 1.00 0.00 C ATOM 385 C ALA A 25 -2.470 -8.465 3.767 1.00 0.00 C ATOM 386 O ALA A 25 -2.985 -7.350 3.674 1.00 0.00 O ATOM 387 CB ALA A 25 -0.730 -8.857 5.530 1.00 0.00 C ATOM 0 H ALA A 25 -1.658 -11.113 5.265 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.838 -8.609 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.520 -7.787 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.546 -9.271 6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.081 -9.349 4.806 1.00 0.00 H new ATOM 393 N LEU A 26 -2.150 -9.248 2.716 1.00 0.00 N ATOM 394 CA LEU A 26 -2.322 -8.855 1.306 1.00 0.00 C ATOM 395 C LEU A 26 -3.801 -8.574 1.046 1.00 0.00 C ATOM 396 O LEU A 26 -4.164 -7.482 0.641 1.00 0.00 O ATOM 397 CB LEU A 26 -1.806 -9.986 0.367 1.00 0.00 C ATOM 398 CG LEU A 26 -1.767 -9.670 -1.162 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.695 -8.610 -1.498 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.546 -10.955 -1.994 1.00 0.00 C ATOM 0 H LEU A 26 -1.760 -10.184 2.827 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.743 -7.955 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.799 -10.257 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.434 -10.864 0.516 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.739 -9.255 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.698 -8.417 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.916 -7.687 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.286 -8.977 -1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.524 -10.703 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.599 -11.414 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.360 -11.655 -1.805 1.00 0.00 H new ATOM 412 N ALA A 27 -4.630 -9.571 1.386 1.00 0.00 N ATOM 413 CA ALA A 27 -6.094 -9.521 1.249 1.00 0.00 C ATOM 414 C ALA A 27 -6.720 -8.308 1.977 1.00 0.00 C ATOM 415 O ALA A 27 -7.633 -7.678 1.443 1.00 0.00 O ATOM 416 CB ALA A 27 -6.684 -10.839 1.768 1.00 0.00 C ATOM 0 H ALA A 27 -4.295 -10.454 1.772 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.335 -9.394 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.769 -10.815 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.287 -11.670 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.415 -10.970 2.816 1.00 0.00 H new ATOM 422 N LEU A 28 -6.216 -7.999 3.192 1.00 0.00 N ATOM 423 CA LEU A 28 -6.669 -6.830 3.981 1.00 0.00 C ATOM 424 C LEU A 28 -6.347 -5.498 3.277 1.00 0.00 C ATOM 425 O LEU A 28 -7.223 -4.636 3.169 1.00 0.00 O ATOM 426 CB LEU A 28 -6.053 -6.851 5.408 1.00 0.00 C ATOM 427 CG LEU A 28 -6.628 -7.930 6.385 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.817 -7.981 7.697 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.125 -7.667 6.687 1.00 0.00 C ATOM 0 H LEU A 28 -5.489 -8.548 3.651 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.753 -6.904 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.978 -7.008 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.195 -5.869 5.858 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.542 -8.898 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.239 -8.739 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.780 -8.231 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.859 -7.009 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.499 -8.432 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.236 -6.685 7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.695 -7.699 5.758 1.00 0.00 H new ATOM 441 N PHE A 29 -5.099 -5.347 2.790 1.00 0.00 N ATOM 442 CA PHE A 29 -4.647 -4.115 2.113 1.00 0.00 C ATOM 443 C PHE A 29 -5.405 -3.901 0.775 1.00 0.00 C ATOM 444 O PHE A 29 -5.885 -2.801 0.498 1.00 0.00 O ATOM 445 CB PHE A 29 -3.122 -4.148 1.849 1.00 0.00 C ATOM 446 CG PHE A 29 -2.201 -3.967 3.063 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.329 -2.856 3.900 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.183 -4.885 3.344 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.469 -2.673 4.969 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.331 -4.700 4.414 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.476 -3.596 5.231 1.00 0.00 C ATOM 0 H PHE A 29 -4.381 -6.069 2.854 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.869 -3.281 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.880 -5.101 1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.886 -3.367 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.108 -2.132 3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.062 -5.753 2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.575 -1.804 5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.450 -5.419 4.613 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.186 -3.455 6.073 1.00 0.00 H new ATOM 461 N GLU A 30 -5.500 -4.964 -0.039 1.00 0.00 N ATOM 462 CA GLU A 30 -6.227 -4.952 -1.331 1.00 0.00 C ATOM 463 C GLU A 30 -7.701 -4.560 -1.134 1.00 0.00 C ATOM 464 O GLU A 30 -8.278 -3.820 -1.942 1.00 0.00 O ATOM 465 CB GLU A 30 -6.133 -6.343 -1.996 1.00 0.00 C ATOM 466 CG GLU A 30 -4.704 -6.793 -2.350 1.00 0.00 C ATOM 467 CD GLU A 30 -4.664 -8.193 -2.982 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.012 -9.176 -2.291 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.317 -8.315 -4.175 1.00 0.00 O ATOM 0 H GLU A 30 -5.074 -5.865 0.177 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.763 -4.208 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.576 -7.081 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.733 -6.337 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.261 -6.074 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.092 -6.788 -1.448 1.00 0.00 H new ATOM 476 N GLU A 31 -8.274 -5.051 -0.020 1.00 0.00 N ATOM 477 CA GLU A 31 -9.634 -4.719 0.394 1.00 0.00 C ATOM 478 C GLU A 31 -9.747 -3.220 0.719 1.00 0.00 C ATOM 479 O GLU A 31 -10.701 -2.568 0.311 1.00 0.00 O ATOM 480 CB GLU A 31 -10.023 -5.550 1.630 1.00 0.00 C ATOM 481 CG GLU A 31 -11.486 -5.371 2.098 1.00 0.00 C ATOM 482 CD GLU A 31 -11.690 -5.780 3.554 1.00 0.00 C ATOM 483 OE1 GLU A 31 -11.809 -6.990 3.846 1.00 0.00 O ATOM 484 OE2 GLU A 31 -11.717 -4.893 4.419 1.00 0.00 O ATOM 0 H GLU A 31 -7.798 -5.691 0.616 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.313 -4.952 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.853 -6.604 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.358 -5.285 2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.779 -4.329 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.142 -5.965 1.462 1.00 0.00 H new ATOM 491 N LEU A 32 -8.747 -2.690 1.451 1.00 0.00 N ATOM 492 CA LEU A 32 -8.700 -1.269 1.857 1.00 0.00 C ATOM 493 C LEU A 32 -8.697 -0.329 0.645 1.00 0.00 C ATOM 494 O LEU A 32 -9.360 0.695 0.673 1.00 0.00 O ATOM 495 CB LEU A 32 -7.461 -0.994 2.755 1.00 0.00 C ATOM 496 CG LEU A 32 -7.502 -1.627 4.174 1.00 0.00 C ATOM 497 CD1 LEU A 32 -6.181 -1.391 4.939 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.710 -1.091 4.960 1.00 0.00 C ATOM 0 H LEU A 32 -7.949 -3.234 1.778 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.604 -1.067 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.573 -1.361 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.345 0.085 2.862 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.616 -2.705 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.246 -1.847 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.355 -1.839 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.008 -0.320 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.728 -1.542 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.631 -0.008 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.629 -1.343 4.431 1.00 0.00 H new ATOM 510 N VAL A 33 -7.943 -0.699 -0.408 1.00 0.00 N ATOM 511 CA VAL A 33 -7.880 0.063 -1.675 1.00 0.00 C ATOM 512 C VAL A 33 -9.271 0.186 -2.328 1.00 0.00 C ATOM 513 O VAL A 33 -9.762 1.301 -2.570 1.00 0.00 O ATOM 514 CB VAL A 33 -6.872 -0.620 -2.683 1.00 0.00 C ATOM 515 CG1 VAL A 33 -6.882 0.050 -4.079 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.441 -0.635 -2.100 1.00 0.00 C ATOM 0 H VAL A 33 -7.359 -1.535 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.525 1.066 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.211 -1.647 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.172 -0.458 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.882 -0.018 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.599 1.098 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.764 -1.110 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.113 0.388 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.435 -1.194 -1.164 1.00 0.00 H new ATOM 526 N GLU A 34 -9.895 -0.977 -2.596 1.00 0.00 N ATOM 527 CA GLU A 34 -11.171 -1.049 -3.329 1.00 0.00 C ATOM 528 C GLU A 34 -12.352 -0.435 -2.541 1.00 0.00 C ATOM 529 O GLU A 34 -13.235 0.193 -3.143 1.00 0.00 O ATOM 530 CB GLU A 34 -11.469 -2.516 -3.736 1.00 0.00 C ATOM 531 CG GLU A 34 -11.638 -3.494 -2.556 1.00 0.00 C ATOM 532 CD GLU A 34 -11.802 -4.957 -2.989 1.00 0.00 C ATOM 533 OE1 GLU A 34 -12.951 -5.404 -3.205 1.00 0.00 O ATOM 534 OE2 GLU A 34 -10.782 -5.672 -3.108 1.00 0.00 O ATOM 0 H GLU A 34 -9.531 -1.887 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.063 -0.444 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.378 -2.534 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.659 -2.873 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.771 -3.413 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.508 -3.197 -1.971 1.00 0.00 H new ATOM 541 N THR A 35 -12.366 -0.600 -1.199 1.00 0.00 N ATOM 542 CA THR A 35 -13.470 -0.114 -0.346 1.00 0.00 C ATOM 543 C THR A 35 -13.295 1.374 0.004 1.00 0.00 C ATOM 544 O THR A 35 -14.273 2.134 0.024 1.00 0.00 O ATOM 545 CB THR A 35 -13.574 -0.951 0.973 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.344 -0.854 1.716 1.00 0.00 O ATOM 547 CG2 THR A 35 -13.891 -2.436 0.694 1.00 0.00 C ATOM 0 H THR A 35 -11.621 -1.068 -0.683 1.00 0.00 H new ATOM 0 HA THR A 35 -14.391 -0.234 -0.917 1.00 0.00 H new ATOM 0 HB THR A 35 -14.396 -0.537 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.687 -1.480 1.345 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.954 -2.978 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.842 -2.512 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.101 -2.868 0.080 1.00 0.00 H new ATOM 555 N ASP A 36 -12.040 1.781 0.268 1.00 0.00 N ATOM 556 CA ASP A 36 -11.705 3.155 0.679 1.00 0.00 C ATOM 557 C ASP A 36 -10.465 3.637 -0.112 1.00 0.00 C ATOM 558 O ASP A 36 -9.324 3.385 0.303 1.00 0.00 O ATOM 559 CB ASP A 36 -11.444 3.230 2.209 1.00 0.00 C ATOM 560 CG ASP A 36 -11.369 4.679 2.726 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.325 5.336 2.564 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.368 5.173 3.287 1.00 0.00 O ATOM 0 H ASP A 36 -11.230 1.165 0.202 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.549 3.808 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.238 2.701 2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.511 2.717 2.440 1.00 0.00 H new ATOM 567 N PRO A 37 -10.667 4.341 -1.262 1.00 0.00 N ATOM 568 CA PRO A 37 -9.548 4.837 -2.095 1.00 0.00 C ATOM 569 C PRO A 37 -8.717 5.954 -1.419 1.00 0.00 C ATOM 570 O PRO A 37 -7.593 6.228 -1.838 1.00 0.00 O ATOM 571 CB PRO A 37 -10.258 5.351 -3.374 1.00 0.00 C ATOM 572 CG PRO A 37 -11.642 5.697 -2.925 1.00 0.00 C ATOM 573 CD PRO A 37 -11.990 4.699 -1.846 1.00 0.00 C ATOM 0 HA PRO A 37 -8.812 4.056 -2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.747 6.220 -3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.273 4.588 -4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.685 6.717 -2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.348 5.638 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.655 5.132 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.497 3.826 -2.256 1.00 0.00 H new ATOM 581 N ASP A 38 -9.269 6.562 -0.362 1.00 0.00 N ATOM 582 CA ASP A 38 -8.680 7.743 0.293 1.00 0.00 C ATOM 583 C ASP A 38 -7.524 7.363 1.236 1.00 0.00 C ATOM 584 O ASP A 38 -6.637 8.191 1.494 1.00 0.00 O ATOM 585 CB ASP A 38 -9.774 8.492 1.087 1.00 0.00 C ATOM 586 CG ASP A 38 -10.966 8.911 0.217 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.917 8.113 0.068 1.00 0.00 O ATOM 588 OD2 ASP A 38 -10.957 10.031 -0.333 1.00 0.00 O ATOM 0 H ASP A 38 -10.140 6.250 0.067 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.272 8.387 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.129 7.854 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.338 9.379 1.548 1.00 0.00 H new ATOM 593 N TYR A 39 -7.570 6.130 1.785 1.00 0.00 N ATOM 594 CA TYR A 39 -6.574 5.647 2.753 1.00 0.00 C ATOM 595 C TYR A 39 -5.193 5.458 2.074 1.00 0.00 C ATOM 596 O TYR A 39 -4.899 4.394 1.517 1.00 0.00 O ATOM 597 CB TYR A 39 -7.064 4.329 3.440 1.00 0.00 C ATOM 598 CG TYR A 39 -6.395 4.079 4.802 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.147 3.473 4.885 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.982 4.513 5.995 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.513 3.297 6.086 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.341 4.348 7.207 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.107 3.734 7.245 1.00 0.00 C ATOM 604 OH TYR A 39 -4.443 3.583 8.435 1.00 0.00 O ATOM 0 H TYR A 39 -8.297 5.448 1.568 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.456 6.400 3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.145 4.376 3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.861 3.485 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.665 3.133 3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.953 4.985 5.968 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.547 2.815 6.122 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.803 4.697 8.119 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.912 2.759 8.411 1.00 0.00 H new ATOM 614 N VAL A 40 -4.362 6.517 2.135 1.00 0.00 N ATOM 615 CA VAL A 40 -3.037 6.563 1.488 1.00 0.00 C ATOM 616 C VAL A 40 -2.065 5.524 2.100 1.00 0.00 C ATOM 617 O VAL A 40 -1.246 4.928 1.378 1.00 0.00 O ATOM 618 CB VAL A 40 -2.411 8.000 1.604 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.066 8.100 0.853 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.392 9.084 1.105 1.00 0.00 C ATOM 0 H VAL A 40 -4.594 7.372 2.640 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.185 6.317 0.436 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.217 8.177 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.665 9.108 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.360 7.384 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.221 7.878 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.928 10.066 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.639 8.898 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.302 9.054 1.704 1.00 0.00 H new ATOM 630 N GLY A 41 -2.207 5.296 3.425 1.00 0.00 N ATOM 631 CA GLY A 41 -1.322 4.402 4.186 1.00 0.00 C ATOM 632 C GLY A 41 -1.266 2.977 3.640 1.00 0.00 C ATOM 633 O GLY A 41 -0.217 2.327 3.694 1.00 0.00 O ATOM 0 H GLY A 41 -2.938 5.728 3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.315 4.820 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.657 4.371 5.223 1.00 0.00 H new ATOM 637 N THR A 42 -2.404 2.517 3.096 1.00 0.00 N ATOM 638 CA THR A 42 -2.537 1.192 2.491 1.00 0.00 C ATOM 639 C THR A 42 -1.558 0.998 1.325 1.00 0.00 C ATOM 640 O THR A 42 -0.800 0.035 1.314 1.00 0.00 O ATOM 641 CB THR A 42 -3.991 0.985 1.979 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.907 1.091 3.067 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.167 -0.368 1.294 1.00 0.00 C ATOM 0 H THR A 42 -3.264 3.064 3.066 1.00 0.00 H new ATOM 0 HA THR A 42 -2.302 0.456 3.260 1.00 0.00 H new ATOM 0 HB THR A 42 -4.194 1.762 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.704 1.581 2.777 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.197 -0.471 0.952 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.492 -0.434 0.440 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.938 -1.166 2.000 1.00 0.00 H new ATOM 651 N TYR A 43 -1.569 1.964 0.389 1.00 0.00 N ATOM 652 CA TYR A 43 -0.906 1.850 -0.924 1.00 0.00 C ATOM 653 C TYR A 43 0.601 1.604 -0.816 1.00 0.00 C ATOM 654 O TYR A 43 1.148 0.763 -1.541 1.00 0.00 O ATOM 655 CB TYR A 43 -1.185 3.113 -1.762 1.00 0.00 C ATOM 656 CG TYR A 43 -2.669 3.282 -2.106 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.242 2.566 -3.154 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.495 4.139 -1.378 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.568 2.702 -3.464 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.829 4.271 -1.691 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.355 3.550 -2.734 1.00 0.00 C ATOM 662 OH TYR A 43 -6.679 3.676 -3.059 1.00 0.00 O ATOM 0 H TYR A 43 -2.044 2.857 0.524 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.327 0.975 -1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.842 3.990 -1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.606 3.067 -2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.629 1.891 -3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.082 4.707 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.992 2.141 -4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.458 4.938 -1.120 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.974 4.593 -2.878 1.00 0.00 H new ATOM 672 N TYR A 44 1.256 2.364 0.074 1.00 0.00 N ATOM 673 CA TYR A 44 2.682 2.206 0.380 1.00 0.00 C ATOM 674 C TYR A 44 3.007 0.766 0.831 1.00 0.00 C ATOM 675 O TYR A 44 3.791 0.070 0.194 1.00 0.00 O ATOM 676 CB TYR A 44 3.086 3.246 1.462 1.00 0.00 C ATOM 677 CG TYR A 44 4.602 3.447 1.605 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.319 4.131 0.621 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.314 2.959 2.706 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.680 4.323 0.732 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.678 3.154 2.816 1.00 0.00 C ATOM 682 CZ TYR A 44 7.354 3.837 1.828 1.00 0.00 C ATOM 683 OH TYR A 44 8.713 4.025 1.935 1.00 0.00 O ATOM 0 H TYR A 44 0.806 3.110 0.604 1.00 0.00 H new ATOM 0 HA TYR A 44 3.263 2.387 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.625 4.204 1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.680 2.930 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.798 4.517 -0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.790 2.421 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.216 4.854 -0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.212 2.772 3.673 1.00 0.00 H new ATOM 0 HH TYR A 44 9.034 3.622 2.768 1.00 0.00 H new ATOM 693 N HIS A 45 2.318 0.332 1.888 1.00 0.00 N ATOM 694 CA HIS A 45 2.571 -0.962 2.565 1.00 0.00 C ATOM 695 C HIS A 45 2.128 -2.173 1.704 1.00 0.00 C ATOM 696 O HIS A 45 2.718 -3.258 1.798 1.00 0.00 O ATOM 697 CB HIS A 45 1.900 -0.965 3.967 1.00 0.00 C ATOM 698 CG HIS A 45 2.480 0.076 4.901 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.167 -0.228 6.057 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.505 1.424 4.808 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.585 0.891 6.625 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.199 1.904 5.883 1.00 0.00 N ATOM 0 H HIS A 45 1.559 0.867 2.310 1.00 0.00 H new ATOM 0 HA HIS A 45 3.647 -1.071 2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.831 -0.787 3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.013 -1.952 4.416 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.057 2.016 4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.149 0.960 7.544 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.387 2.888 6.077 1.00 0.00 H new ATOM 711 N LEU A 46 1.115 -1.963 0.849 1.00 0.00 N ATOM 712 CA LEU A 46 0.606 -2.995 -0.079 1.00 0.00 C ATOM 713 C LEU A 46 1.569 -3.165 -1.259 1.00 0.00 C ATOM 714 O LEU A 46 1.808 -4.287 -1.712 1.00 0.00 O ATOM 715 CB LEU A 46 -0.818 -2.634 -0.592 1.00 0.00 C ATOM 716 CG LEU A 46 -1.435 -3.610 -1.653 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.472 -5.077 -1.156 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.838 -3.151 -2.093 1.00 0.00 C ATOM 0 H LEU A 46 0.622 -1.073 0.779 1.00 0.00 H new ATOM 0 HA LEU A 46 0.540 -3.938 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.490 -2.588 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.784 -1.634 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.775 -3.578 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.908 -5.712 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.458 -5.413 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.076 -5.139 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.236 -3.850 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.499 -3.121 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.774 -2.157 -2.535 1.00 0.00 H new ATOM 730 N GLY A 47 2.119 -2.036 -1.737 1.00 0.00 N ATOM 731 CA GLY A 47 3.073 -2.044 -2.837 1.00 0.00 C ATOM 732 C GLY A 47 4.389 -2.693 -2.433 1.00 0.00 C ATOM 733 O GLY A 47 4.982 -3.435 -3.211 1.00 0.00 O ATOM 0 H GLY A 47 1.912 -1.107 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.647 -2.581 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.257 -1.022 -3.167 1.00 0.00 H new ATOM 737 N LYS A 48 4.823 -2.409 -1.187 1.00 0.00 N ATOM 738 CA LYS A 48 6.006 -3.038 -0.573 1.00 0.00 C ATOM 739 C LYS A 48 5.845 -4.559 -0.543 1.00 0.00 C ATOM 740 O LYS A 48 6.771 -5.301 -0.874 1.00 0.00 O ATOM 741 CB LYS A 48 6.207 -2.505 0.868 1.00 0.00 C ATOM 742 CG LYS A 48 6.635 -1.025 0.959 1.00 0.00 C ATOM 743 CD LYS A 48 8.035 -0.771 0.367 1.00 0.00 C ATOM 744 CE LYS A 48 8.492 0.685 0.511 1.00 0.00 C ATOM 745 NZ LYS A 48 9.919 0.842 0.167 1.00 0.00 N ATOM 0 H LYS A 48 4.359 -1.734 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 48 6.881 -2.787 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.276 -2.634 1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.960 -3.117 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.906 -0.408 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.625 -0.712 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.756 -1.423 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.031 -1.042 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.889 1.322 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.325 1.020 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.195 1.839 0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.496 0.253 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.073 0.545 -0.818 1.00 0.00 H new ATOM 759 N LEU A 49 4.638 -4.988 -0.147 1.00 0.00 N ATOM 760 CA LEU A 49 4.277 -6.402 -0.052 1.00 0.00 C ATOM 761 C LEU A 49 4.301 -7.070 -1.438 1.00 0.00 C ATOM 762 O LEU A 49 4.786 -8.196 -1.578 1.00 0.00 O ATOM 763 CB LEU A 49 2.897 -6.541 0.637 1.00 0.00 C ATOM 764 CG LEU A 49 2.378 -7.993 0.893 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.459 -8.898 1.538 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.106 -7.954 1.768 1.00 0.00 C ATOM 0 H LEU A 49 3.882 -4.356 0.117 1.00 0.00 H new ATOM 0 HA LEU A 49 5.015 -6.922 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.942 -6.023 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.159 -6.019 0.027 1.00 0.00 H new ATOM 0 HG LEU A 49 2.135 -8.431 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.051 -9.896 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.323 -8.960 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.764 -8.475 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.752 -8.970 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.336 -7.482 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.331 -7.382 1.258 1.00 0.00 H new ATOM 778 N TYR A 50 3.797 -6.349 -2.453 1.00 0.00 N ATOM 779 CA TYR A 50 3.855 -6.785 -3.858 1.00 0.00 C ATOM 780 C TYR A 50 5.305 -7.043 -4.311 1.00 0.00 C ATOM 781 O TYR A 50 5.590 -8.092 -4.878 1.00 0.00 O ATOM 782 CB TYR A 50 3.166 -5.755 -4.798 1.00 0.00 C ATOM 783 CG TYR A 50 1.629 -5.794 -4.801 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.940 -7.013 -4.773 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.867 -4.624 -4.860 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.436 -7.057 -4.797 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.511 -4.673 -4.889 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.155 -5.887 -4.856 1.00 0.00 C ATOM 789 OH TYR A 50 -2.531 -5.934 -4.876 1.00 0.00 O ATOM 0 H TYR A 50 3.338 -5.448 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 50 3.309 -7.726 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.487 -4.754 -4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.519 -5.923 -5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.499 -7.936 -4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.365 -3.666 -4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.948 -8.007 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.084 -3.759 -4.938 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.833 -6.816 -4.575 1.00 0.00 H new ATOM 799 N GLU A 51 6.214 -6.102 -4.011 1.00 0.00 N ATOM 800 CA GLU A 51 7.641 -6.206 -4.407 1.00 0.00 C ATOM 801 C GLU A 51 8.337 -7.426 -3.757 1.00 0.00 C ATOM 802 O GLU A 51 9.251 -8.015 -4.350 1.00 0.00 O ATOM 803 CB GLU A 51 8.397 -4.905 -4.052 1.00 0.00 C ATOM 804 CG GLU A 51 7.841 -3.641 -4.735 1.00 0.00 C ATOM 805 CD GLU A 51 8.682 -2.392 -4.450 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.489 -1.737 -3.393 1.00 0.00 O ATOM 807 OE2 GLU A 51 9.564 -2.073 -5.261 1.00 0.00 O ATOM 0 H GLU A 51 5.991 -5.253 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 51 7.668 -6.351 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.365 -4.764 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.445 -5.021 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.796 -3.805 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.819 -3.470 -4.396 1.00 0.00 H new ATOM 814 N ARG A 52 7.880 -7.799 -2.540 1.00 0.00 N ATOM 815 CA ARG A 52 8.336 -9.021 -1.837 1.00 0.00 C ATOM 816 C ARG A 52 7.909 -10.281 -2.614 1.00 0.00 C ATOM 817 O ARG A 52 8.686 -11.224 -2.772 1.00 0.00 O ATOM 818 CB ARG A 52 7.736 -9.097 -0.409 1.00 0.00 C ATOM 819 CG ARG A 52 8.048 -7.892 0.501 1.00 0.00 C ATOM 820 CD ARG A 52 7.336 -7.996 1.864 1.00 0.00 C ATOM 821 NE ARG A 52 7.482 -6.772 2.674 1.00 0.00 N ATOM 822 CZ ARG A 52 7.321 -6.704 4.004 1.00 0.00 C ATOM 823 NH1 ARG A 52 7.027 -7.785 4.709 1.00 0.00 N ATOM 824 NH2 ARG A 52 7.465 -5.552 4.623 1.00 0.00 N ATOM 0 H ARG A 52 7.186 -7.263 -2.018 1.00 0.00 H new ATOM 0 HA ARG A 52 9.423 -8.974 -1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.654 -9.198 -0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.104 -10.002 0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.125 -7.826 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.742 -6.972 0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.277 -8.196 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.740 -8.844 2.417 1.00 0.00 H new ATOM 0 HE ARG A 52 7.724 -5.910 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.920 -8.685 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.908 -7.718 5.720 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.699 -4.713 4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.343 -5.498 5.634 1.00 0.00 H new ATOM 838 N LEU A 53 6.664 -10.249 -3.128 1.00 0.00 N ATOM 839 CA LEU A 53 6.015 -11.393 -3.808 1.00 0.00 C ATOM 840 C LEU A 53 6.301 -11.395 -5.332 1.00 0.00 C ATOM 841 O LEU A 53 5.590 -12.064 -6.089 1.00 0.00 O ATOM 842 CB LEU A 53 4.485 -11.324 -3.530 1.00 0.00 C ATOM 843 CG LEU A 53 4.067 -11.268 -2.020 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.536 -11.130 -1.857 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.608 -12.487 -1.229 1.00 0.00 C ATOM 0 H LEU A 53 6.072 -9.420 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 53 6.426 -12.323 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.083 -10.444 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.013 -12.194 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 53 4.524 -10.374 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.285 -11.094 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.200 -10.213 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.042 -11.985 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.297 -12.412 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.211 -13.406 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.697 -12.502 -1.283 1.00 0.00 H new ATOM 857 N ASP A 54 7.348 -10.637 -5.754 1.00 0.00 N ATOM 858 CA ASP A 54 7.799 -10.501 -7.173 1.00 0.00 C ATOM 859 C ASP A 54 6.774 -9.728 -8.059 1.00 0.00 C ATOM 860 O ASP A 54 6.969 -9.555 -9.268 1.00 0.00 O ATOM 861 CB ASP A 54 8.162 -11.902 -7.775 1.00 0.00 C ATOM 862 CG ASP A 54 8.849 -11.834 -9.151 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.995 -11.355 -9.211 1.00 0.00 O ATOM 864 OD2 ASP A 54 8.237 -12.214 -10.179 1.00 0.00 O ATOM 0 H ASP A 54 7.916 -10.091 -5.107 1.00 0.00 H new ATOM 0 HA ASP A 54 8.703 -9.893 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.817 -12.426 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.252 -12.495 -7.864 1.00 0.00 H new ATOM 869 N ARG A 55 5.729 -9.198 -7.425 1.00 0.00 N ATOM 870 CA ARG A 55 4.620 -8.491 -8.092 1.00 0.00 C ATOM 871 C ARG A 55 4.956 -6.987 -8.238 1.00 0.00 C ATOM 872 O ARG A 55 4.153 -6.115 -7.887 1.00 0.00 O ATOM 873 CB ARG A 55 3.317 -8.698 -7.263 1.00 0.00 C ATOM 874 CG ARG A 55 2.928 -10.170 -7.018 1.00 0.00 C ATOM 875 CD ARG A 55 2.703 -10.951 -8.323 1.00 0.00 C ATOM 876 NE ARG A 55 1.649 -10.352 -9.157 1.00 0.00 N ATOM 877 CZ ARG A 55 0.933 -10.982 -10.097 1.00 0.00 C ATOM 878 NH1 ARG A 55 1.114 -12.275 -10.347 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.047 -10.293 -10.793 1.00 0.00 N ATOM 0 H ARG A 55 5.621 -9.245 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 55 4.471 -8.895 -9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.435 -8.204 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.494 -8.201 -7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.713 -10.657 -6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.019 -10.206 -6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.634 -10.986 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.435 -11.981 -8.086 1.00 0.00 H new ATOM 0 HE ARG A 55 1.445 -9.364 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.808 -12.804 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.559 -12.738 -11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.083 -9.298 -10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.508 -10.756 -11.513 1.00 0.00 H new ATOM 893 N THR A 56 6.138 -6.711 -8.809 1.00 0.00 N ATOM 894 CA THR A 56 6.692 -5.355 -8.939 1.00 0.00 C ATOM 895 C THR A 56 5.786 -4.449 -9.799 1.00 0.00 C ATOM 896 O THR A 56 5.621 -3.269 -9.499 1.00 0.00 O ATOM 897 CB THR A 56 8.121 -5.424 -9.556 1.00 0.00 C ATOM 898 OG1 THR A 56 8.913 -6.357 -8.809 1.00 0.00 O ATOM 899 CG2 THR A 56 8.826 -4.061 -9.562 1.00 0.00 C ATOM 0 H THR A 56 6.744 -7.433 -9.199 1.00 0.00 H new ATOM 0 HA THR A 56 6.746 -4.918 -7.942 1.00 0.00 H new ATOM 0 HB THR A 56 8.014 -5.744 -10.592 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.813 -6.405 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.818 -4.166 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.242 -3.352 -10.148 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.920 -3.696 -8.539 1.00 0.00 H new ATOM 907 N ASP A 57 5.169 -5.042 -10.837 1.00 0.00 N ATOM 908 CA ASP A 57 4.244 -4.328 -11.745 1.00 0.00 C ATOM 909 C ASP A 57 2.970 -3.882 -11.000 1.00 0.00 C ATOM 910 O ASP A 57 2.491 -2.753 -11.178 1.00 0.00 O ATOM 911 CB ASP A 57 3.858 -5.232 -12.939 1.00 0.00 C ATOM 912 CG ASP A 57 2.931 -4.529 -13.950 1.00 0.00 C ATOM 913 OD1 ASP A 57 3.420 -3.669 -14.710 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.712 -4.816 -13.980 1.00 0.00 O ATOM 0 H ASP A 57 5.295 -6.027 -11.072 1.00 0.00 H new ATOM 0 HA ASP A 57 4.758 -3.441 -12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.764 -5.557 -13.450 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.365 -6.129 -12.564 1.00 0.00 H new ATOM 919 N ASP A 58 2.444 -4.791 -10.163 1.00 0.00 N ATOM 920 CA ASP A 58 1.254 -4.544 -9.323 1.00 0.00 C ATOM 921 C ASP A 58 1.534 -3.406 -8.336 1.00 0.00 C ATOM 922 O ASP A 58 0.666 -2.575 -8.065 1.00 0.00 O ATOM 923 CB ASP A 58 0.868 -5.825 -8.545 1.00 0.00 C ATOM 924 CG ASP A 58 0.603 -7.037 -9.450 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.557 -7.537 -10.075 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.545 -7.503 -9.544 1.00 0.00 O ATOM 0 H ASP A 58 2.834 -5.726 -10.047 1.00 0.00 H new ATOM 0 HA ASP A 58 0.425 -4.261 -9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.668 -6.071 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.023 -5.624 -7.950 1.00 0.00 H new ATOM 931 N ALA A 59 2.785 -3.383 -7.833 1.00 0.00 N ATOM 932 CA ALA A 59 3.284 -2.331 -6.947 1.00 0.00 C ATOM 933 C ALA A 59 3.256 -0.961 -7.644 1.00 0.00 C ATOM 934 O ALA A 59 2.815 0.007 -7.044 1.00 0.00 O ATOM 935 CB ALA A 59 4.700 -2.663 -6.458 1.00 0.00 C ATOM 0 H ALA A 59 3.477 -4.104 -8.037 1.00 0.00 H new ATOM 0 HA ALA A 59 2.624 -2.279 -6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.053 -1.869 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.685 -3.606 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.369 -2.750 -7.314 1.00 0.00 H new ATOM 941 N ILE A 60 3.698 -0.905 -8.926 1.00 0.00 N ATOM 942 CA ILE A 60 3.721 0.348 -9.737 1.00 0.00 C ATOM 943 C ILE A 60 2.335 1.025 -9.775 1.00 0.00 C ATOM 944 O ILE A 60 2.225 2.230 -9.537 1.00 0.00 O ATOM 945 CB ILE A 60 4.196 0.092 -11.228 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.556 -0.670 -11.271 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.287 1.415 -12.036 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.667 -0.008 -10.490 1.00 0.00 C ATOM 0 H ILE A 60 4.048 -1.721 -9.428 1.00 0.00 H new ATOM 0 HA ILE A 60 4.438 1.005 -9.245 1.00 0.00 H new ATOM 0 HB ILE A 60 3.440 -0.537 -11.698 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.406 -1.678 -10.883 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.869 -0.771 -12.310 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.616 1.199 -13.053 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.307 1.892 -12.065 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.002 2.085 -11.558 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.576 -0.604 -10.574 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.849 0.989 -10.890 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.379 0.069 -9.442 1.00 0.00 H new ATOM 960 N ASP A 61 1.293 0.222 -10.065 1.00 0.00 N ATOM 961 CA ASP A 61 -0.090 0.718 -10.176 1.00 0.00 C ATOM 962 C ASP A 61 -0.623 1.153 -8.802 1.00 0.00 C ATOM 963 O ASP A 61 -1.264 2.186 -8.698 1.00 0.00 O ATOM 964 CB ASP A 61 -1.016 -0.355 -10.800 1.00 0.00 C ATOM 965 CG ASP A 61 -2.476 0.130 -10.992 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.759 0.799 -12.009 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.340 -0.156 -10.127 1.00 0.00 O ATOM 0 H ASP A 61 1.386 -0.781 -10.228 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.083 1.586 -10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.611 -0.657 -11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.015 -1.240 -10.163 1.00 0.00 H new ATOM 972 N THR A 62 -0.332 0.351 -7.762 1.00 0.00 N ATOM 973 CA THR A 62 -0.779 0.619 -6.375 1.00 0.00 C ATOM 974 C THR A 62 -0.125 1.894 -5.803 1.00 0.00 C ATOM 975 O THR A 62 -0.774 2.673 -5.099 1.00 0.00 O ATOM 976 CB THR A 62 -0.491 -0.620 -5.468 1.00 0.00 C ATOM 977 OG1 THR A 62 -1.196 -1.748 -6.010 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.913 -0.413 -3.999 1.00 0.00 C ATOM 0 H THR A 62 0.219 -0.502 -7.855 1.00 0.00 H new ATOM 0 HA THR A 62 -1.855 0.793 -6.393 1.00 0.00 H new ATOM 0 HB THR A 62 0.587 -0.781 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.687 -2.122 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.685 -1.311 -3.425 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.369 0.433 -3.580 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.984 -0.215 -3.953 1.00 0.00 H new ATOM 986 N TYR A 63 1.152 2.112 -6.144 1.00 0.00 N ATOM 987 CA TYR A 63 1.889 3.325 -5.758 1.00 0.00 C ATOM 988 C TYR A 63 1.327 4.540 -6.501 1.00 0.00 C ATOM 989 O TYR A 63 1.156 5.586 -5.903 1.00 0.00 O ATOM 990 CB TYR A 63 3.410 3.185 -6.029 1.00 0.00 C ATOM 991 CG TYR A 63 4.157 2.250 -5.058 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.904 2.289 -3.684 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.140 1.357 -5.504 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.592 1.488 -2.803 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.827 0.546 -4.619 1.00 0.00 C ATOM 996 CZ TYR A 63 5.546 0.624 -3.269 1.00 0.00 C ATOM 997 OH TYR A 63 6.227 -0.161 -2.374 1.00 0.00 O ATOM 0 H TYR A 63 1.704 1.454 -6.695 1.00 0.00 H new ATOM 0 HA TYR A 63 1.758 3.466 -4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.551 2.818 -7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.866 4.174 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.151 2.964 -3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.366 1.301 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.380 1.541 -1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.577 -0.142 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 63 6.951 -0.632 -2.837 1.00 0.00 H new ATOM 1007 N ALA A 64 1.029 4.364 -7.807 1.00 0.00 N ATOM 1008 CA ALA A 64 0.402 5.399 -8.659 1.00 0.00 C ATOM 1009 C ALA A 64 -0.988 5.813 -8.132 1.00 0.00 C ATOM 1010 O ALA A 64 -1.311 7.002 -8.087 1.00 0.00 O ATOM 1011 CB ALA A 64 0.306 4.888 -10.099 1.00 0.00 C ATOM 0 H ALA A 64 1.218 3.493 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 64 1.030 6.289 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.156 5.651 -10.726 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.305 4.667 -10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.300 3.982 -10.124 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.786 4.808 -7.714 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.109 5.013 -7.086 1.00 0.00 C ATOM 1019 C GLN A 65 -2.954 5.814 -5.796 1.00 0.00 C ATOM 1020 O GLN A 65 -3.762 6.701 -5.491 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.786 3.647 -6.774 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.281 2.848 -8.006 1.00 0.00 C ATOM 1023 CD GLN A 65 -5.660 3.262 -8.560 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -6.384 2.433 -9.110 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.036 4.533 -8.462 1.00 0.00 N ATOM 0 H GLN A 65 -1.529 3.825 -7.803 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.739 5.565 -7.783 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.078 3.028 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.635 3.825 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.544 2.950 -8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.319 1.792 -7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.427 5.211 -8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.933 4.830 -8.845 1.00 0.00 H new ATOM 1034 N GLY A 66 -1.887 5.462 -5.058 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.469 6.172 -3.868 1.00 0.00 C ATOM 1036 C GLY A 66 -1.153 7.629 -4.142 1.00 0.00 C ATOM 1037 O GLY A 66 -1.650 8.478 -3.449 1.00 0.00 O ATOM 0 H GLY A 66 -1.293 4.665 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.256 6.109 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.588 5.685 -3.449 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.344 7.889 -5.187 1.00 0.00 N ATOM 1042 CA ILE A 67 0.152 9.237 -5.557 1.00 0.00 C ATOM 1043 C ILE A 67 -1.002 10.245 -5.741 1.00 0.00 C ATOM 1044 O ILE A 67 -0.953 11.369 -5.219 1.00 0.00 O ATOM 1045 CB ILE A 67 1.012 9.136 -6.882 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.359 8.391 -6.616 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.277 10.513 -7.538 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.166 8.080 -7.855 1.00 0.00 C ATOM 0 H ILE A 67 -0.008 7.157 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 67 0.774 9.606 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 67 0.418 8.558 -7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.968 8.998 -5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.145 7.458 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.871 10.377 -8.442 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.327 10.982 -7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.819 11.150 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.083 7.563 -7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.581 7.444 -8.520 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.417 9.008 -8.368 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.043 9.796 -6.454 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.218 10.612 -6.790 1.00 0.00 C ATOM 1062 C GLU A 68 -3.952 11.053 -5.511 1.00 0.00 C ATOM 1063 O GLU A 68 -4.330 12.211 -5.363 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.175 9.804 -7.690 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.510 9.199 -8.940 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.473 8.341 -9.777 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -4.691 7.156 -9.435 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.027 8.846 -10.775 1.00 0.00 O ATOM 0 H GLU A 68 -2.094 8.845 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.884 11.501 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.615 8.999 -7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.992 10.452 -8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.116 10.004 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.661 8.588 -8.633 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.130 10.097 -4.590 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.811 10.340 -3.307 1.00 0.00 C ATOM 1077 C VAL A 69 -3.839 10.922 -2.249 1.00 0.00 C ATOM 1078 O VAL A 69 -4.273 11.480 -1.268 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.554 9.061 -2.772 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.573 8.543 -3.821 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.569 7.944 -2.367 1.00 0.00 C ATOM 0 H VAL A 69 -3.808 9.137 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.579 11.090 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.096 9.353 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.077 7.658 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.310 9.319 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.049 8.287 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.127 7.081 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.973 7.653 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.910 8.308 -1.579 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.526 10.768 -2.458 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.486 11.172 -1.477 1.00 0.00 C ATOM 1093 C ALA A 70 -1.331 12.684 -1.414 1.00 0.00 C ATOM 1094 O ALA A 70 -1.204 13.257 -0.338 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.148 10.536 -1.833 1.00 0.00 C ATOM 0 H ALA A 70 -2.144 10.360 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.808 10.822 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.605 10.841 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.246 9.451 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.156 10.861 -2.828 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.312 13.306 -2.592 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.229 14.767 -2.733 1.00 0.00 C ATOM 1103 C ARG A 71 -2.468 15.464 -2.128 1.00 0.00 C ATOM 1104 O ARG A 71 -2.345 16.542 -1.541 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.046 15.137 -4.232 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.101 14.522 -5.177 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.873 14.850 -6.662 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.914 14.243 -7.524 1.00 0.00 N ATOM 1109 CZ ARG A 71 -4.023 14.863 -7.979 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -4.277 16.131 -7.674 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -4.867 14.203 -8.758 1.00 0.00 N ATOM 0 H ARG A 71 -1.354 12.812 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.363 15.123 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.076 16.222 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.056 14.815 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.101 13.439 -5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.089 14.878 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.872 15.931 -6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.891 14.489 -6.968 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.781 13.270 -7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.628 16.654 -7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.121 16.581 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.677 13.233 -9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.707 14.665 -9.106 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.650 14.829 -2.260 1.00 0.00 N ATOM 1126 CA GLU A 72 -4.930 15.421 -1.830 1.00 0.00 C ATOM 1127 C GLU A 72 -5.267 15.093 -0.355 1.00 0.00 C ATOM 1128 O GLU A 72 -5.487 15.995 0.455 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.057 14.922 -2.769 1.00 0.00 C ATOM 1130 CG GLU A 72 -5.823 15.213 -4.270 1.00 0.00 C ATOM 1131 CD GLU A 72 -5.550 16.701 -4.563 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -6.489 17.516 -4.441 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -4.400 17.067 -4.900 1.00 0.00 O ATOM 0 H GLU A 72 -3.743 13.898 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.841 16.505 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.173 13.847 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.996 15.385 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.979 14.619 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.697 14.892 -4.837 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.281 13.794 -0.033 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.714 13.272 1.283 1.00 0.00 C ATOM 1142 C GLU A 73 -4.593 13.375 2.311 1.00 0.00 C ATOM 1143 O GLU A 73 -4.836 13.738 3.465 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.170 11.795 1.158 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.272 11.557 0.111 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.531 12.393 0.363 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.251 12.110 1.342 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.798 13.351 -0.399 1.00 0.00 O ATOM 0 H GLU A 73 -4.990 13.062 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.553 13.881 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.306 11.181 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.529 11.455 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.881 11.790 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.539 10.500 0.107 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.368 13.028 1.894 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.199 13.115 2.768 1.00 0.00 C ATOM 1157 C GLY A 74 -1.401 14.385 2.510 1.00 0.00 C ATOM 1158 O GLY A 74 -1.896 15.317 1.861 1.00 0.00 O ATOM 0 H GLY A 74 -3.165 12.685 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.520 13.091 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.561 12.245 2.611 1.00 0.00 H new ATOM 1162 N THR A 75 -0.165 14.429 3.013 1.00 0.00 N ATOM 1163 CA THR A 75 0.756 15.551 2.772 1.00 0.00 C ATOM 1164 C THR A 75 1.644 15.265 1.538 1.00 0.00 C ATOM 1165 O THR A 75 1.553 14.188 0.930 1.00 0.00 O ATOM 1166 CB THR A 75 1.645 15.818 4.032 1.00 0.00 C ATOM 1167 OG1 THR A 75 2.446 14.664 4.328 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.793 16.186 5.268 1.00 0.00 C ATOM 0 H THR A 75 0.228 13.692 3.598 1.00 0.00 H new ATOM 0 HA THR A 75 0.163 16.444 2.575 1.00 0.00 H new ATOM 0 HB THR A 75 2.291 16.665 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.050 13.874 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.448 16.364 6.121 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.218 17.088 5.058 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.112 15.367 5.498 1.00 0.00 H new ATOM 1176 N GLN A 76 2.516 16.234 1.186 1.00 0.00 N ATOM 1177 CA GLN A 76 3.487 16.097 0.076 1.00 0.00 C ATOM 1178 C GLN A 76 4.501 14.965 0.368 1.00 0.00 C ATOM 1179 O GLN A 76 5.114 14.421 -0.550 1.00 0.00 O ATOM 1180 CB GLN A 76 4.221 17.450 -0.137 1.00 0.00 C ATOM 1181 CG GLN A 76 5.142 17.509 -1.376 1.00 0.00 C ATOM 1182 CD GLN A 76 5.861 18.852 -1.540 1.00 0.00 C ATOM 1183 OE1 GLN A 76 6.975 19.048 -1.047 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.228 19.789 -2.232 1.00 0.00 N ATOM 0 H GLN A 76 2.568 17.134 1.663 1.00 0.00 H new ATOM 0 HA GLN A 76 2.950 15.833 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.475 18.241 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.817 17.666 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.885 16.715 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.549 17.312 -2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.308 19.597 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.661 20.702 -2.369 1.00 0.00 H new ATOM 1193 N LYS A 77 4.654 14.623 1.659 1.00 0.00 N ATOM 1194 CA LYS A 77 5.504 13.511 2.116 1.00 0.00 C ATOM 1195 C LYS A 77 4.991 12.161 1.578 1.00 0.00 C ATOM 1196 O LYS A 77 5.763 11.386 1.008 1.00 0.00 O ATOM 1197 CB LYS A 77 5.561 13.508 3.663 1.00 0.00 C ATOM 1198 CG LYS A 77 6.209 12.257 4.285 1.00 0.00 C ATOM 1199 CD LYS A 77 6.352 12.355 5.818 1.00 0.00 C ATOM 1200 CE LYS A 77 6.801 11.026 6.436 1.00 0.00 C ATOM 1201 NZ LYS A 77 8.016 10.471 5.778 1.00 0.00 N ATOM 0 H LYS A 77 4.187 15.115 2.421 1.00 0.00 H new ATOM 0 HA LYS A 77 6.511 13.652 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.113 14.388 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.546 13.604 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.609 11.381 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.193 12.105 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.074 13.133 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.398 12.654 6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.002 11.172 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.989 10.302 6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.317 9.609 6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.800 10.241 4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.781 11.175 5.811 1.00 0.00 H new ATOM 1215 N ASP A 78 3.673 11.923 1.747 1.00 0.00 N ATOM 1216 CA ASP A 78 2.976 10.715 1.243 1.00 0.00 C ATOM 1217 C ASP A 78 3.191 10.585 -0.267 1.00 0.00 C ATOM 1218 O ASP A 78 3.578 9.526 -0.770 1.00 0.00 O ATOM 1219 CB ASP A 78 1.451 10.806 1.528 1.00 0.00 C ATOM 1220 CG ASP A 78 1.106 10.901 3.018 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.422 11.935 3.641 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.505 9.957 3.578 1.00 0.00 O ATOM 0 H ASP A 78 3.056 12.568 2.241 1.00 0.00 H new ATOM 0 HA ASP A 78 3.386 9.844 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.046 11.678 1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.959 9.930 1.106 1.00 0.00 H new ATOM 1227 N LEU A 79 2.959 11.719 -0.952 1.00 0.00 N ATOM 1228 CA LEU A 79 3.152 11.882 -2.398 1.00 0.00 C ATOM 1229 C LEU A 79 4.582 11.486 -2.816 1.00 0.00 C ATOM 1230 O LEU A 79 4.774 10.682 -3.732 1.00 0.00 O ATOM 1231 CB LEU A 79 2.855 13.366 -2.758 1.00 0.00 C ATOM 1232 CG LEU A 79 3.074 13.800 -4.240 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.087 13.087 -5.182 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.981 15.339 -4.385 1.00 0.00 C ATOM 0 H LEU A 79 2.623 12.569 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 79 2.472 11.224 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.818 13.576 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.479 13.998 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 79 4.080 13.498 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.265 13.410 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.231 12.009 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.065 13.336 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.137 15.616 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.995 15.676 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.745 15.810 -3.766 1.00 0.00 H new ATOM 1246 N SER A 80 5.561 12.013 -2.065 1.00 0.00 N ATOM 1247 CA SER A 80 6.991 11.862 -2.348 1.00 0.00 C ATOM 1248 C SER A 80 7.445 10.402 -2.231 1.00 0.00 C ATOM 1249 O SER A 80 8.216 9.925 -3.065 1.00 0.00 O ATOM 1250 CB SER A 80 7.811 12.756 -1.397 1.00 0.00 C ATOM 1251 OG SER A 80 9.202 12.677 -1.674 1.00 0.00 O ATOM 0 H SER A 80 5.374 12.566 -1.229 1.00 0.00 H new ATOM 0 HA SER A 80 7.163 12.175 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.479 13.790 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.627 12.455 -0.365 1.00 0.00 H new ATOM 0 HG SER A 80 9.692 13.257 -1.054 1.00 0.00 H new ATOM 1257 N GLU A 81 6.946 9.706 -1.194 1.00 0.00 N ATOM 1258 CA GLU A 81 7.333 8.316 -0.885 1.00 0.00 C ATOM 1259 C GLU A 81 6.793 7.332 -1.934 1.00 0.00 C ATOM 1260 O GLU A 81 7.488 6.401 -2.339 1.00 0.00 O ATOM 1261 CB GLU A 81 6.851 7.937 0.538 1.00 0.00 C ATOM 1262 CG GLU A 81 7.523 8.751 1.667 1.00 0.00 C ATOM 1263 CD GLU A 81 7.050 8.357 3.073 1.00 0.00 C ATOM 1264 OE1 GLU A 81 7.607 7.401 3.657 1.00 0.00 O ATOM 1265 OE2 GLU A 81 6.115 8.993 3.599 1.00 0.00 O ATOM 0 H GLU A 81 6.261 10.092 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 81 8.421 8.249 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.772 8.079 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.042 6.877 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.603 8.619 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.322 9.811 1.509 1.00 0.00 H new ATOM 1272 N LEU A 82 5.555 7.562 -2.378 1.00 0.00 N ATOM 1273 CA LEU A 82 4.882 6.699 -3.374 1.00 0.00 C ATOM 1274 C LEU A 82 5.466 6.904 -4.790 1.00 0.00 C ATOM 1275 O LEU A 82 5.552 5.950 -5.578 1.00 0.00 O ATOM 1276 CB LEU A 82 3.371 6.975 -3.320 1.00 0.00 C ATOM 1277 CG LEU A 82 2.692 6.547 -1.971 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.354 7.252 -1.742 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.510 5.020 -1.909 1.00 0.00 C ATOM 0 H LEU A 82 4.985 8.347 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 82 5.058 5.651 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.201 8.040 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.886 6.448 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 82 3.363 6.857 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.926 6.921 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.511 8.330 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.670 7.008 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.038 4.748 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.880 4.695 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.483 4.534 -1.981 1.00 0.00 H new ATOM 1291 N GLN A 83 5.863 8.159 -5.091 1.00 0.00 N ATOM 1292 CA GLN A 83 6.606 8.508 -6.326 1.00 0.00 C ATOM 1293 C GLN A 83 7.982 7.821 -6.335 1.00 0.00 C ATOM 1294 O GLN A 83 8.345 7.153 -7.308 1.00 0.00 O ATOM 1295 CB GLN A 83 6.768 10.049 -6.443 1.00 0.00 C ATOM 1296 CG GLN A 83 5.467 10.802 -6.791 1.00 0.00 C ATOM 1297 CD GLN A 83 5.574 12.329 -6.693 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.931 13.057 -7.443 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.345 12.831 -5.737 1.00 0.00 N ATOM 0 H GLN A 83 5.679 8.960 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 83 6.037 8.154 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.155 10.434 -5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.515 10.267 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.167 10.535 -7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.675 10.462 -6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.871 12.207 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.412 13.841 -5.614 1.00 0.00 H new ATOM 1308 N ASP A 84 8.704 7.973 -5.207 1.00 0.00 N ATOM 1309 CA ASP A 84 10.044 7.389 -4.982 1.00 0.00 C ATOM 1310 C ASP A 84 10.013 5.865 -5.154 1.00 0.00 C ATOM 1311 O ASP A 84 10.874 5.287 -5.822 1.00 0.00 O ATOM 1312 CB ASP A 84 10.540 7.767 -3.556 1.00 0.00 C ATOM 1313 CG ASP A 84 11.836 7.057 -3.112 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.931 7.456 -3.554 1.00 0.00 O ATOM 1315 OD2 ASP A 84 11.768 6.095 -2.321 1.00 0.00 O ATOM 0 H ASP A 84 8.367 8.515 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 84 10.734 7.793 -5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.701 8.844 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.752 7.536 -2.839 1.00 0.00 H new ATOM 1320 N ALA A 85 8.974 5.250 -4.576 1.00 0.00 N ATOM 1321 CA ALA A 85 8.820 3.795 -4.526 1.00 0.00 C ATOM 1322 C ALA A 85 8.558 3.190 -5.912 1.00 0.00 C ATOM 1323 O ALA A 85 9.170 2.180 -6.255 1.00 0.00 O ATOM 1324 CB ALA A 85 7.708 3.424 -3.543 1.00 0.00 C ATOM 0 H ALA A 85 8.211 5.755 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 85 9.761 3.371 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.598 2.340 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.962 3.793 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.770 3.874 -3.868 1.00 0.00 H new ATOM 1330 N LYS A 86 7.646 3.804 -6.705 1.00 0.00 N ATOM 1331 CA LYS A 86 7.326 3.280 -8.051 1.00 0.00 C ATOM 1332 C LYS A 86 8.513 3.451 -9.025 1.00 0.00 C ATOM 1333 O LYS A 86 8.790 2.538 -9.791 1.00 0.00 O ATOM 1334 CB LYS A 86 6.033 3.895 -8.663 1.00 0.00 C ATOM 1335 CG LYS A 86 6.103 5.394 -9.031 1.00 0.00 C ATOM 1336 CD LYS A 86 4.926 5.855 -9.930 1.00 0.00 C ATOM 1337 CE LYS A 86 4.922 5.175 -11.313 1.00 0.00 C ATOM 1338 NZ LYS A 86 3.834 5.682 -12.195 1.00 0.00 N ATOM 0 H LYS A 86 7.130 4.644 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 86 7.135 2.216 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.777 3.333 -9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.217 3.753 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.108 5.987 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.044 5.593 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.984 5.642 -9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.979 6.936 -10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.884 5.339 -11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.809 4.098 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.875 5.193 -13.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.912 5.503 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.954 6.705 -12.342 1.00 0.00 H new ATOM 1352 N LEU A 87 9.227 4.605 -8.975 1.00 0.00 N ATOM 1353 CA LEU A 87 10.330 4.883 -9.931 1.00 0.00 C ATOM 1354 C LEU A 87 11.517 3.932 -9.715 1.00 0.00 C ATOM 1355 O LEU A 87 12.158 3.508 -10.685 1.00 0.00 O ATOM 1356 CB LEU A 87 10.743 6.398 -9.933 1.00 0.00 C ATOM 1357 CG LEU A 87 11.317 7.041 -8.615 1.00 0.00 C ATOM 1358 CD1 LEU A 87 12.806 6.710 -8.370 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.106 8.569 -8.609 1.00 0.00 C ATOM 0 H LEU A 87 9.063 5.347 -8.295 1.00 0.00 H new ATOM 0 HA LEU A 87 9.954 4.680 -10.934 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.489 6.533 -10.716 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.866 6.976 -10.225 1.00 0.00 H new ATOM 0 HG LEU A 87 10.755 6.594 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.137 7.184 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.930 5.630 -8.288 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.403 7.082 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.511 8.989 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.617 9.010 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.040 8.789 -8.670 1.00 0.00 H new ATOM 1371 N LYS A 88 11.808 3.598 -8.440 1.00 0.00 N ATOM 1372 CA LYS A 88 12.888 2.647 -8.111 1.00 0.00 C ATOM 1373 C LYS A 88 12.453 1.200 -8.418 1.00 0.00 C ATOM 1374 O LYS A 88 13.286 0.368 -8.797 1.00 0.00 O ATOM 1375 CB LYS A 88 13.384 2.846 -6.644 1.00 0.00 C ATOM 1376 CG LYS A 88 12.379 2.529 -5.499 1.00 0.00 C ATOM 1377 CD LYS A 88 12.374 1.042 -5.072 1.00 0.00 C ATOM 1378 CE LYS A 88 11.291 0.732 -4.029 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.274 -0.695 -3.650 1.00 0.00 N ATOM 0 H LYS A 88 11.314 3.970 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 88 13.747 2.853 -8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.267 2.223 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.704 3.882 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.621 3.146 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.376 2.809 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.217 0.416 -5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.351 0.781 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.460 1.340 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.315 1.012 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.637 -0.831 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.938 -1.264 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.235 -0.997 -3.390 1.00 0.00 H new ATOM 1393 N ALA A 89 11.140 0.913 -8.239 1.00 0.00 N ATOM 1394 CA ALA A 89 10.543 -0.398 -8.557 1.00 0.00 C ATOM 1395 C ALA A 89 10.584 -0.694 -10.067 1.00 0.00 C ATOM 1396 O ALA A 89 10.843 -1.825 -10.480 1.00 0.00 O ATOM 1397 CB ALA A 89 9.111 -0.456 -8.019 1.00 0.00 C ATOM 0 H ALA A 89 10.469 1.587 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 89 11.136 -1.172 -8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.673 -1.426 -8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.123 -0.317 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.517 0.333 -8.480 1.00 0.00 H new ATOM 1403 N GLU A 90 10.370 0.355 -10.876 1.00 0.00 N ATOM 1404 CA GLU A 90 10.496 0.284 -12.343 1.00 0.00 C ATOM 1405 C GLU A 90 11.942 -0.020 -12.748 1.00 0.00 C ATOM 1406 O GLU A 90 12.175 -0.575 -13.805 1.00 0.00 O ATOM 1407 CB GLU A 90 10.034 1.610 -12.997 1.00 0.00 C ATOM 1408 CG GLU A 90 8.523 1.872 -12.862 1.00 0.00 C ATOM 1409 CD GLU A 90 8.083 3.245 -13.383 1.00 0.00 C ATOM 1410 OE1 GLU A 90 7.867 3.386 -14.602 1.00 0.00 O ATOM 1411 OE2 GLU A 90 7.975 4.192 -12.578 1.00 0.00 O ATOM 0 H GLU A 90 10.104 1.278 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 90 9.855 -0.524 -12.696 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.579 2.438 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.298 1.595 -14.054 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.980 1.097 -13.403 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.241 1.785 -11.813 1.00 0.00 H new ATOM 1418 N GLY A 91 12.890 0.366 -11.886 1.00 0.00 N ATOM 1419 CA GLY A 91 14.314 0.119 -12.103 1.00 0.00 C ATOM 1420 C GLY A 91 14.799 -1.231 -11.574 1.00 0.00 C ATOM 1421 O GLY A 91 15.963 -1.584 -11.803 1.00 0.00 O ATOM 0 H GLY A 91 12.687 0.860 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.523 0.175 -13.171 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.887 0.913 -11.624 1.00 0.00 H new ATOM 1425 N LEU A 92 13.928 -1.984 -10.858 1.00 0.00 N ATOM 1426 CA LEU A 92 14.300 -3.302 -10.287 1.00 0.00 C ATOM 1427 C LEU A 92 14.528 -4.331 -11.402 1.00 0.00 C ATOM 1428 O LEU A 92 15.621 -4.891 -11.529 1.00 0.00 O ATOM 1429 CB LEU A 92 13.221 -3.817 -9.295 1.00 0.00 C ATOM 1430 CG LEU A 92 13.052 -3.004 -7.973 1.00 0.00 C ATOM 1431 CD1 LEU A 92 11.930 -3.598 -7.096 1.00 0.00 C ATOM 1432 CD2 LEU A 92 14.376 -2.911 -7.179 1.00 0.00 C ATOM 0 H LEU A 92 12.967 -1.703 -10.663 1.00 0.00 H new ATOM 0 HA LEU A 92 15.230 -3.169 -9.735 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.261 -3.833 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.460 -4.848 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 92 12.768 -1.990 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.834 -3.012 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.988 -3.573 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.174 -4.629 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.214 -2.337 -6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.717 -3.914 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.132 -2.416 -7.789 1.00 0.00 H new ATOM 1444 N GLU A 93 13.484 -4.575 -12.205 1.00 0.00 N ATOM 1445 CA GLU A 93 13.554 -5.496 -13.354 1.00 0.00 C ATOM 1446 C GLU A 93 13.733 -4.695 -14.658 1.00 0.00 C ATOM 1447 O GLU A 93 14.590 -5.036 -15.482 1.00 0.00 O ATOM 1448 CB GLU A 93 12.316 -6.469 -13.381 1.00 0.00 C ATOM 1449 CG GLU A 93 10.970 -5.919 -12.829 1.00 0.00 C ATOM 1450 CD GLU A 93 10.379 -4.754 -13.631 1.00 0.00 C ATOM 1451 OE1 GLU A 93 9.970 -4.963 -14.794 1.00 0.00 O ATOM 1452 OE2 GLU A 93 10.350 -3.616 -13.120 1.00 0.00 O ATOM 0 H GLU A 93 12.569 -4.143 -12.080 1.00 0.00 H new ATOM 0 HA GLU A 93 14.429 -6.138 -13.252 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.155 -6.783 -14.412 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.575 -7.362 -12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.244 -6.731 -12.805 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.120 -5.595 -11.799 1.00 0.00 H new ATOM 1459 N HIS A 94 12.961 -3.591 -14.776 1.00 0.00 N ATOM 1460 CA HIS A 94 12.915 -2.693 -15.951 1.00 0.00 C ATOM 1461 C HIS A 94 12.835 -3.479 -17.273 1.00 0.00 C ATOM 1462 O HIS A 94 13.824 -3.562 -18.025 1.00 0.00 O ATOM 1463 CB HIS A 94 14.105 -1.695 -15.935 1.00 0.00 C ATOM 1464 CG HIS A 94 13.961 -0.534 -16.888 1.00 0.00 C ATOM 1465 ND1 HIS A 94 14.766 -0.351 -17.989 1.00 0.00 N ATOM 1466 CD2 HIS A 94 13.103 0.515 -16.880 1.00 0.00 C ATOM 1467 CE1 HIS A 94 14.413 0.753 -18.612 1.00 0.00 C ATOM 1468 NE2 HIS A 94 13.408 1.297 -17.961 1.00 0.00 N ATOM 0 H HIS A 94 12.332 -3.291 -14.031 1.00 0.00 H new ATOM 0 HA HIS A 94 11.997 -2.109 -15.885 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.223 -1.306 -14.924 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.020 -2.236 -16.177 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.324 0.700 -16.155 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.871 1.146 -19.507 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.933 2.162 -18.220 1.00 0.00 H new ATOM 1477 N HIS A 95 11.671 -4.120 -17.493 1.00 0.00 N ATOM 1478 CA HIS A 95 11.421 -4.950 -18.683 1.00 0.00 C ATOM 1479 C HIS A 95 11.565 -4.119 -19.981 1.00 0.00 C ATOM 1480 O HIS A 95 10.768 -3.212 -20.244 1.00 0.00 O ATOM 1481 CB HIS A 95 10.039 -5.669 -18.584 1.00 0.00 C ATOM 1482 CG HIS A 95 8.827 -4.767 -18.413 1.00 0.00 C ATOM 1483 ND1 HIS A 95 8.554 -4.071 -17.253 1.00 0.00 N ATOM 1484 CD2 HIS A 95 7.811 -4.463 -19.261 1.00 0.00 C ATOM 1485 CE1 HIS A 95 7.437 -3.388 -17.397 1.00 0.00 C ATOM 1486 NE2 HIS A 95 6.968 -3.611 -18.606 1.00 0.00 N ATOM 0 H HIS A 95 10.880 -4.076 -16.851 1.00 0.00 H new ATOM 0 HA HIS A 95 12.180 -5.731 -18.723 1.00 0.00 H new ATOM 0 HB2 HIS A 95 9.898 -6.267 -19.485 1.00 0.00 H new ATOM 0 HB3 HIS A 95 10.072 -6.362 -17.743 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.130 -4.084 -16.411 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.691 -4.829 -20.270 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.983 -2.753 -16.650 1.00 0.00 H new ATOM 1495 N HIS A 96 12.648 -4.411 -20.742 1.00 0.00 N ATOM 1496 CA HIS A 96 13.000 -3.700 -21.986 1.00 0.00 C ATOM 1497 C HIS A 96 11.861 -3.818 -23.015 1.00 0.00 C ATOM 1498 O HIS A 96 11.592 -4.903 -23.532 1.00 0.00 O ATOM 1499 CB HIS A 96 14.315 -4.263 -22.604 1.00 0.00 C ATOM 1500 CG HIS A 96 15.558 -4.089 -21.766 1.00 0.00 C ATOM 1501 ND1 HIS A 96 16.608 -3.273 -22.134 1.00 0.00 N ATOM 1502 CD2 HIS A 96 15.945 -4.680 -20.608 1.00 0.00 C ATOM 1503 CE1 HIS A 96 17.576 -3.374 -21.249 1.00 0.00 C ATOM 1504 NE2 HIS A 96 17.199 -4.219 -20.316 1.00 0.00 N ATOM 0 H HIS A 96 13.305 -5.154 -20.503 1.00 0.00 H new ATOM 0 HA HIS A 96 13.153 -2.651 -21.733 1.00 0.00 H new ATOM 0 HB2 HIS A 96 14.177 -5.326 -22.800 1.00 0.00 H new ATOM 0 HB3 HIS A 96 14.478 -3.780 -23.568 1.00 0.00 H new ATOM 0 HD2 HIS A 96 15.370 -5.384 -20.025 1.00 0.00 H new ATOM 0 HE1 HIS A 96 18.520 -2.851 -21.283 1.00 0.00 H new ATOM 0 HE2 HIS A 96 17.753 -4.488 -19.503 1.00 0.00 H new ATOM 1513 N HIS A 97 11.215 -2.682 -23.295 1.00 0.00 N ATOM 1514 CA HIS A 97 10.062 -2.585 -24.219 1.00 0.00 C ATOM 1515 C HIS A 97 10.506 -2.561 -25.700 1.00 0.00 C ATOM 1516 O HIS A 97 9.673 -2.384 -26.593 1.00 0.00 O ATOM 1517 CB HIS A 97 9.219 -1.323 -23.871 1.00 0.00 C ATOM 1518 CG HIS A 97 9.983 -0.011 -23.861 1.00 0.00 C ATOM 1519 ND1 HIS A 97 9.960 0.888 -24.904 1.00 0.00 N ATOM 1520 CD2 HIS A 97 10.773 0.551 -22.914 1.00 0.00 C ATOM 1521 CE1 HIS A 97 10.693 1.939 -24.598 1.00 0.00 C ATOM 1522 NE2 HIS A 97 11.199 1.757 -23.399 1.00 0.00 N ATOM 0 H HIS A 97 11.476 -1.786 -22.884 1.00 0.00 H new ATOM 0 HA HIS A 97 9.448 -3.476 -24.090 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.403 -1.243 -24.589 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.767 -1.468 -22.890 1.00 0.00 H new ATOM 0 HD2 HIS A 97 11.021 0.125 -21.953 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.851 2.803 -25.226 1.00 0.00 H new ATOM 0 HE2 HIS A 97 11.811 2.410 -22.909 1.00 0.00 H new ATOM 1531 N HIS A 98 11.818 -2.735 -25.945 1.00 0.00 N ATOM 1532 CA HIS A 98 12.406 -2.809 -27.291 1.00 0.00 C ATOM 1533 C HIS A 98 13.022 -4.204 -27.506 1.00 0.00 C ATOM 1534 O HIS A 98 14.067 -4.514 -26.926 1.00 0.00 O ATOM 1535 CB HIS A 98 13.481 -1.701 -27.447 1.00 0.00 C ATOM 1536 CG HIS A 98 14.180 -1.686 -28.781 1.00 0.00 C ATOM 1537 ND1 HIS A 98 15.507 -2.016 -28.936 1.00 0.00 N ATOM 1538 CD2 HIS A 98 13.737 -1.346 -30.013 1.00 0.00 C ATOM 1539 CE1 HIS A 98 15.843 -1.900 -30.200 1.00 0.00 C ATOM 1540 NE2 HIS A 98 14.789 -1.489 -30.874 1.00 0.00 N ATOM 0 H HIS A 98 12.508 -2.829 -25.200 1.00 0.00 H new ATOM 0 HA HIS A 98 11.633 -2.651 -28.044 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.009 -0.731 -27.288 1.00 0.00 H new ATOM 0 HB3 HIS A 98 14.227 -1.825 -26.662 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.739 -1.022 -30.269 1.00 0.00 H new ATOM 0 HE1 HIS A 98 16.818 -2.107 -30.616 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.762 -1.307 -31.877 1.00 0.00 H new ATOM 1549 N HIS A 99 12.343 -5.043 -28.313 1.00 0.00 N ATOM 1550 CA HIS A 99 12.823 -6.383 -28.722 1.00 0.00 C ATOM 1551 C HIS A 99 12.239 -6.706 -30.119 1.00 0.00 C ATOM 1552 O HIS A 99 11.051 -7.079 -30.207 1.00 0.00 O ATOM 1553 CB HIS A 99 12.450 -7.499 -27.690 1.00 0.00 C ATOM 1554 CG HIS A 99 13.262 -7.497 -26.420 1.00 0.00 C ATOM 1555 ND1 HIS A 99 12.717 -7.306 -25.168 1.00 0.00 N ATOM 1556 CD2 HIS A 99 14.592 -7.675 -26.221 1.00 0.00 C ATOM 1557 CE1 HIS A 99 13.668 -7.375 -24.262 1.00 0.00 C ATOM 1558 NE2 HIS A 99 14.813 -7.598 -24.871 1.00 0.00 N ATOM 1559 OXT HIS A 99 12.960 -6.542 -31.124 1.00 0.00 O ATOM 0 H HIS A 99 11.432 -4.808 -28.706 1.00 0.00 H new ATOM 0 HA HIS A 99 13.912 -6.363 -28.761 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.397 -7.393 -27.429 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.562 -8.470 -28.173 1.00 0.00 H new ATOM 0 HD2 HIS A 99 15.337 -7.845 -26.984 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.532 -7.267 -23.196 1.00 0.00 H new ATOM 0 HE2 HIS A 99 15.719 -7.697 -24.412 1.00 0.00 H new TER 1568 HIS A 99