USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 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 43 TYR OH : rot -151:sc= 0.104 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.36 X(o=-0.26,f=0.1) USER MOD Set 2.1: A 10 TYR OH : rot 27:sc= 0.254 USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.166 K(o=0.089,f=0.91) USER MOD Set 3.1: A 44 TYR OH : rot 151:sc= 0.417 USER MOD Set 3.2: A 48 LYS NZ :NH3+ -170:sc= 0.523 (180deg=-0.131) USER MOD Single : A 1 GLU N :NH3+ 170:sc= -0.349 (180deg=-0.533) USER MOD Single : A 8 THR OG1 : rot 63:sc= 0.216 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 16 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= 0.782 (180deg=0.078) USER MOD Single : A 19 HIS : no HD1:sc= -0.37 X(o=-0.37,f=0.091) USER MOD Single : A 21 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -69:sc= 1.21 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 106:sc= 0.387! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 72:sc= 0.677 USER MOD Single : A 63 TYR OH : rot -154:sc= 0.15 USER MOD Single : A 75 THR OG1 : rot -45:sc= 0.699 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 174:sc=-0.00962 (180deg=-0.0861) USER MOD Single : A 80 SER OG : rot 73:sc= 1.03 USER MOD Single : A 83 GLN : amide:sc= -1.36 K(o=-1.4,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -114:sc= 0.234 (180deg=-2.1!) USER MOD Single : A 94 HIS : no HD1:sc=-0.000296 X(o=-0.0003,f=0) USER MOD Single : A 95 HIS : no HE2:sc= 0.102 K(o=0.1,f=-0.87) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 98 HIS : no HE2:sc= 0.0747 X(o=0.075,f=-0.32) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.201 -3.420 20.738 1.00 0.00 N ATOM 2 CA GLU A 1 -13.573 -2.977 19.465 1.00 0.00 C ATOM 3 C GLU A 1 -13.728 -4.054 18.379 1.00 0.00 C ATOM 4 O GLU A 1 -14.076 -5.201 18.681 1.00 0.00 O ATOM 5 CB GLU A 1 -12.071 -2.596 19.666 1.00 0.00 C ATOM 6 CG GLU A 1 -11.133 -3.730 20.144 1.00 0.00 C ATOM 7 CD GLU A 1 -11.357 -4.143 21.610 1.00 0.00 C ATOM 8 OE1 GLU A 1 -10.927 -3.401 22.515 1.00 0.00 O ATOM 9 OE2 GLU A 1 -11.972 -5.200 21.859 1.00 0.00 O ATOM 0 H1 GLU A 1 -13.942 -2.762 21.500 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.235 -3.434 20.629 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.866 -4.375 20.977 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.094 -2.079 19.134 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -11.687 -2.210 18.722 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -12.019 -1.782 20.388 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -11.276 -4.601 19.505 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -10.098 -3.410 20.020 1.00 0.00 H new ATOM 18 N ASP A 2 -13.455 -3.664 17.120 1.00 0.00 N ATOM 19 CA ASP A 2 -13.605 -4.529 15.927 1.00 0.00 C ATOM 20 C ASP A 2 -12.457 -4.268 14.928 1.00 0.00 C ATOM 21 O ASP A 2 -11.914 -3.154 14.886 1.00 0.00 O ATOM 22 CB ASP A 2 -14.976 -4.277 15.221 1.00 0.00 C ATOM 23 CG ASP A 2 -16.173 -4.885 15.960 1.00 0.00 C ATOM 24 OD1 ASP A 2 -16.750 -4.221 16.848 1.00 0.00 O ATOM 25 OD2 ASP A 2 -16.547 -6.034 15.649 1.00 0.00 O ATOM 0 H ASP A 2 -13.119 -2.727 16.896 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.568 -5.566 16.260 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.130 -3.203 15.121 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.936 -4.689 14.213 1.00 0.00 H new ATOM 30 N PRO A 3 -12.079 -5.290 14.088 1.00 0.00 N ATOM 31 CA PRO A 3 -11.104 -5.109 12.985 1.00 0.00 C ATOM 32 C PRO A 3 -11.744 -4.505 11.713 1.00 0.00 C ATOM 33 O PRO A 3 -11.075 -4.375 10.694 1.00 0.00 O ATOM 34 CB PRO A 3 -10.602 -6.551 12.748 1.00 0.00 C ATOM 35 CG PRO A 3 -11.811 -7.391 13.013 1.00 0.00 C ATOM 36 CD PRO A 3 -12.547 -6.711 14.156 1.00 0.00 C ATOM 0 HA PRO A 3 -10.311 -4.403 13.232 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.235 -6.686 11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.782 -6.806 13.419 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.442 -7.458 12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.528 -8.409 13.281 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.628 -6.782 14.034 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.304 -7.167 15.116 1.00 0.00 H new ATOM 44 N GLU A 4 -13.048 -4.152 11.798 1.00 0.00 N ATOM 45 CA GLU A 4 -13.780 -3.462 10.718 1.00 0.00 C ATOM 46 C GLU A 4 -13.217 -2.044 10.499 1.00 0.00 C ATOM 47 O GLU A 4 -13.309 -1.496 9.394 1.00 0.00 O ATOM 48 CB GLU A 4 -15.289 -3.396 11.057 1.00 0.00 C ATOM 49 CG GLU A 4 -15.967 -4.768 11.269 1.00 0.00 C ATOM 50 CD GLU A 4 -17.456 -4.637 11.627 1.00 0.00 C ATOM 51 OE1 GLU A 4 -18.268 -4.308 10.733 1.00 0.00 O ATOM 52 OE2 GLU A 4 -17.826 -4.852 12.797 1.00 0.00 O ATOM 0 H GLU A 4 -13.621 -4.340 12.621 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.650 -4.027 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.418 -2.799 11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.805 -2.872 10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.865 -5.364 10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.451 -5.306 12.064 1.00 0.00 H new ATOM 59 N ASP A 5 -12.642 -1.473 11.576 1.00 0.00 N ATOM 60 CA ASP A 5 -11.971 -0.166 11.551 1.00 0.00 C ATOM 61 C ASP A 5 -10.764 -0.199 10.582 1.00 0.00 C ATOM 62 O ASP A 5 -9.982 -1.164 10.629 1.00 0.00 O ATOM 63 CB ASP A 5 -11.508 0.200 12.988 1.00 0.00 C ATOM 64 CG ASP A 5 -10.777 1.555 13.082 1.00 0.00 C ATOM 65 OD1 ASP A 5 -9.538 1.605 12.904 1.00 0.00 O ATOM 66 OD2 ASP A 5 -11.442 2.581 13.296 1.00 0.00 O ATOM 0 H ASP A 5 -12.632 -1.914 12.496 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.669 0.592 11.196 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.377 0.221 13.645 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.848 -0.585 13.358 1.00 0.00 H new ATOM 71 N PRO A 6 -10.577 0.867 9.719 1.00 0.00 N ATOM 72 CA PRO A 6 -9.521 0.895 8.683 1.00 0.00 C ATOM 73 C PRO A 6 -8.110 0.751 9.276 1.00 0.00 C ATOM 74 O PRO A 6 -7.376 -0.142 8.869 1.00 0.00 O ATOM 75 CB PRO A 6 -9.720 2.266 7.977 1.00 0.00 C ATOM 76 CG PRO A 6 -10.455 3.095 8.984 1.00 0.00 C ATOM 77 CD PRO A 6 -11.376 2.132 9.688 1.00 0.00 C ATOM 0 HA PRO A 6 -9.604 0.055 7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.765 2.718 7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.292 2.160 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.766 3.566 9.685 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.016 3.896 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.629 2.475 10.691 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.315 2.004 9.149 1.00 0.00 H new ATOM 85 N PHE A 7 -7.779 1.602 10.270 1.00 0.00 N ATOM 86 CA PHE A 7 -6.450 1.629 10.905 1.00 0.00 C ATOM 87 C PHE A 7 -6.171 0.321 11.671 1.00 0.00 C ATOM 88 O PHE A 7 -5.024 -0.115 11.742 1.00 0.00 O ATOM 89 CB PHE A 7 -6.345 2.849 11.852 1.00 0.00 C ATOM 90 CG PHE A 7 -4.918 3.210 12.291 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.340 2.642 13.425 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.160 4.127 11.555 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.055 2.975 13.808 1.00 0.00 C ATOM 94 CE2 PHE A 7 -2.875 4.458 11.943 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.325 3.881 13.070 1.00 0.00 C ATOM 0 H PHE A 7 -8.428 2.289 10.653 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.696 1.720 10.123 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.786 3.714 11.356 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.944 2.652 12.741 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.904 1.932 14.012 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.584 4.582 10.672 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.622 2.524 14.688 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.302 5.168 11.365 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.321 4.140 13.374 1.00 0.00 H new ATOM 105 N THR A 8 -7.233 -0.292 12.228 1.00 0.00 N ATOM 106 CA THR A 8 -7.120 -1.534 13.006 1.00 0.00 C ATOM 107 C THR A 8 -6.714 -2.716 12.105 1.00 0.00 C ATOM 108 O THR A 8 -5.765 -3.426 12.429 1.00 0.00 O ATOM 109 CB THR A 8 -8.444 -1.858 13.779 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.740 -0.782 14.683 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.362 -3.182 14.574 1.00 0.00 C ATOM 0 H THR A 8 -8.187 0.060 12.150 1.00 0.00 H new ATOM 0 HA THR A 8 -6.335 -1.380 13.746 1.00 0.00 H new ATOM 0 HB THR A 8 -9.234 -1.972 13.037 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.892 0.041 14.173 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.306 -3.356 15.090 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.166 -4.006 13.889 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.556 -3.118 15.305 1.00 0.00 H new ATOM 119 N ARG A 9 -7.416 -2.906 10.964 1.00 0.00 N ATOM 120 CA ARG A 9 -7.117 -4.011 10.008 1.00 0.00 C ATOM 121 C ARG A 9 -5.819 -3.718 9.222 1.00 0.00 C ATOM 122 O ARG A 9 -5.139 -4.630 8.767 1.00 0.00 O ATOM 123 CB ARG A 9 -8.320 -4.270 9.064 1.00 0.00 C ATOM 124 CG ARG A 9 -8.633 -3.140 8.053 1.00 0.00 C ATOM 125 CD ARG A 9 -10.139 -2.955 7.775 1.00 0.00 C ATOM 126 NE ARG A 9 -10.824 -4.208 7.410 1.00 0.00 N ATOM 127 CZ ARG A 9 -12.147 -4.324 7.211 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.952 -3.268 7.250 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.665 -5.506 6.969 1.00 0.00 N ATOM 0 H ARG A 9 -8.194 -2.312 10.678 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.954 -4.925 10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.131 -5.188 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.207 -4.443 9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.225 -2.203 8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.123 -3.354 7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.615 -2.533 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.266 -2.232 6.969 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.253 -5.046 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.569 -2.341 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.953 -3.384 7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.063 -6.329 6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.669 -5.601 6.817 1.00 0.00 H new ATOM 143 N TYR A 10 -5.509 -2.424 9.087 1.00 0.00 N ATOM 144 CA TYR A 10 -4.258 -1.921 8.488 1.00 0.00 C ATOM 145 C TYR A 10 -3.047 -2.308 9.360 1.00 0.00 C ATOM 146 O TYR A 10 -2.033 -2.793 8.849 1.00 0.00 O ATOM 147 CB TYR A 10 -4.385 -0.385 8.338 1.00 0.00 C ATOM 148 CG TYR A 10 -3.145 0.374 7.850 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.619 0.166 6.575 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.515 1.316 8.668 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.511 0.869 6.141 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.417 2.020 8.230 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.919 1.792 6.972 1.00 0.00 C ATOM 154 OH TYR A 10 0.169 2.504 6.543 1.00 0.00 O ATOM 0 H TYR A 10 -6.131 -1.677 9.396 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.096 -2.369 7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.202 -0.179 7.646 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.675 0.027 9.305 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.084 -0.554 5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.897 1.495 9.662 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.111 0.694 5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.949 2.750 8.874 1.00 0.00 H new ATOM 0 HH TYR A 10 0.145 2.581 5.566 1.00 0.00 H new ATOM 164 N ALA A 11 -3.190 -2.096 10.678 1.00 0.00 N ATOM 165 CA ALA A 11 -2.167 -2.449 11.680 1.00 0.00 C ATOM 166 C ALA A 11 -2.087 -3.973 11.857 1.00 0.00 C ATOM 167 O ALA A 11 -1.002 -4.531 12.026 1.00 0.00 O ATOM 168 CB ALA A 11 -2.489 -1.768 13.016 1.00 0.00 C ATOM 0 H ALA A 11 -4.024 -1.672 11.083 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.196 -2.097 11.330 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.730 -2.033 13.752 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.501 -0.687 12.880 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.466 -2.100 13.367 1.00 0.00 H new ATOM 174 N LEU A 12 -3.260 -4.627 11.774 1.00 0.00 N ATOM 175 CA LEU A 12 -3.406 -6.092 11.881 1.00 0.00 C ATOM 176 C LEU A 12 -2.692 -6.781 10.711 1.00 0.00 C ATOM 177 O LEU A 12 -2.115 -7.856 10.868 1.00 0.00 O ATOM 178 CB LEU A 12 -4.911 -6.469 11.881 1.00 0.00 C ATOM 179 CG LEU A 12 -5.255 -7.990 11.992 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.778 -8.587 13.338 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.766 -8.241 11.775 1.00 0.00 C ATOM 0 H LEU A 12 -4.147 -4.146 11.628 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.953 -6.427 12.814 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.391 -5.950 12.711 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.358 -6.085 10.964 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.714 -8.503 11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.035 -9.646 13.378 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.697 -8.472 13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.265 -8.064 14.161 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.973 -9.308 11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.337 -7.700 12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.054 -7.892 10.783 1.00 0.00 H new ATOM 193 N ALA A 13 -2.744 -6.122 9.540 1.00 0.00 N ATOM 194 CA ALA A 13 -2.067 -6.572 8.322 1.00 0.00 C ATOM 195 C ALA A 13 -0.542 -6.527 8.489 1.00 0.00 C ATOM 196 O ALA A 13 0.157 -7.433 8.044 1.00 0.00 O ATOM 197 CB ALA A 13 -2.521 -5.725 7.129 1.00 0.00 C ATOM 0 H ALA A 13 -3.264 -5.253 9.417 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.341 -7.610 8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.013 -6.066 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.598 -5.827 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.275 -4.679 7.311 1.00 0.00 H new ATOM 203 N GLN A 14 -0.048 -5.475 9.159 1.00 0.00 N ATOM 204 CA GLN A 14 1.384 -5.332 9.509 1.00 0.00 C ATOM 205 C GLN A 14 1.828 -6.422 10.512 1.00 0.00 C ATOM 206 O GLN A 14 2.969 -6.902 10.451 1.00 0.00 O ATOM 207 CB GLN A 14 1.649 -3.916 10.077 1.00 0.00 C ATOM 208 CG GLN A 14 1.187 -2.776 9.136 1.00 0.00 C ATOM 209 CD GLN A 14 1.365 -1.378 9.721 1.00 0.00 C ATOM 210 OE1 GLN A 14 2.296 -1.127 10.476 1.00 0.00 O ATOM 211 NE2 GLN A 14 0.467 -0.465 9.391 1.00 0.00 N ATOM 0 H GLN A 14 -0.625 -4.696 9.476 1.00 0.00 H new ATOM 0 HA GLN A 14 1.975 -5.463 8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.138 -3.816 11.034 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.716 -3.805 10.272 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.745 -2.841 8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.135 -2.925 8.891 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.297 -0.706 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.538 0.480 9.768 1.00 0.00 H new ATOM 220 N GLU A 15 0.909 -6.812 11.421 1.00 0.00 N ATOM 221 CA GLU A 15 1.134 -7.937 12.351 1.00 0.00 C ATOM 222 C GLU A 15 1.202 -9.268 11.580 1.00 0.00 C ATOM 223 O GLU A 15 1.990 -10.152 11.914 1.00 0.00 O ATOM 224 CB GLU A 15 0.031 -8.009 13.443 1.00 0.00 C ATOM 225 CG GLU A 15 -0.142 -6.727 14.280 1.00 0.00 C ATOM 226 CD GLU A 15 1.170 -6.217 14.901 1.00 0.00 C ATOM 227 OE1 GLU A 15 1.710 -6.882 15.811 1.00 0.00 O ATOM 228 OE2 GLU A 15 1.675 -5.153 14.484 1.00 0.00 O ATOM 0 H GLU A 15 0.001 -6.361 11.530 1.00 0.00 H new ATOM 0 HA GLU A 15 2.088 -7.763 12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.919 -8.242 12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.260 -8.836 14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.564 -5.945 13.649 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.862 -6.917 15.076 1.00 0.00 H new ATOM 235 N HIS A 16 0.360 -9.390 10.550 1.00 0.00 N ATOM 236 CA HIS A 16 0.377 -10.544 9.642 1.00 0.00 C ATOM 237 C HIS A 16 1.703 -10.622 8.865 1.00 0.00 C ATOM 238 O HIS A 16 2.248 -11.705 8.710 1.00 0.00 O ATOM 239 CB HIS A 16 -0.830 -10.507 8.677 1.00 0.00 C ATOM 240 CG HIS A 16 -2.158 -10.704 9.358 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.341 -11.560 10.425 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.365 -10.136 9.136 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.590 -11.506 10.823 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.232 -10.650 10.061 1.00 0.00 N ATOM 0 H HIS A 16 -0.351 -8.695 10.321 1.00 0.00 H new ATOM 0 HA HIS A 16 0.295 -11.446 10.249 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.838 -9.550 8.156 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.702 -11.281 7.920 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.601 -9.411 8.371 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.018 -12.070 11.639 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.219 -10.407 10.145 1.00 0.00 H new ATOM 253 N LEU A 17 2.218 -9.468 8.413 1.00 0.00 N ATOM 254 CA LEU A 17 3.499 -9.383 7.673 1.00 0.00 C ATOM 255 C LEU A 17 4.674 -9.961 8.483 1.00 0.00 C ATOM 256 O LEU A 17 5.437 -10.787 7.972 1.00 0.00 O ATOM 257 CB LEU A 17 3.785 -7.913 7.262 1.00 0.00 C ATOM 258 CG LEU A 17 2.882 -7.340 6.128 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.208 -5.861 5.823 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.999 -8.206 4.860 1.00 0.00 C ATOM 0 H LEU A 17 1.763 -8.565 8.547 1.00 0.00 H new ATOM 0 HA LEU A 17 3.401 -9.991 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.675 -7.281 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.825 -7.840 6.945 1.00 0.00 H new ATOM 0 HG LEU A 17 1.850 -7.373 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.556 -5.501 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.051 -5.261 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.248 -5.775 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.363 -7.793 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.034 -8.214 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.683 -9.225 5.085 1.00 0.00 H new ATOM 272 N LYS A 18 4.788 -9.540 9.756 1.00 0.00 N ATOM 273 CA LYS A 18 5.865 -9.999 10.663 1.00 0.00 C ATOM 274 C LYS A 18 5.645 -11.471 11.106 1.00 0.00 C ATOM 275 O LYS A 18 6.589 -12.150 11.516 1.00 0.00 O ATOM 276 CB LYS A 18 5.975 -9.043 11.883 1.00 0.00 C ATOM 277 CG LYS A 18 4.765 -9.070 12.836 1.00 0.00 C ATOM 278 CD LYS A 18 4.805 -7.975 13.929 1.00 0.00 C ATOM 279 CE LYS A 18 4.750 -6.546 13.364 1.00 0.00 C ATOM 280 NZ LYS A 18 4.590 -5.534 14.436 1.00 0.00 N ATOM 0 H LYS A 18 4.143 -8.877 10.186 1.00 0.00 H new ATOM 0 HA LYS A 18 6.810 -9.972 10.121 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.871 -9.300 12.448 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.110 -8.025 11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.852 -8.954 12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.714 -10.047 13.316 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.967 -8.121 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.716 -8.091 14.516 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.663 -6.341 12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.921 -6.465 12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.115 -4.673 14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.582 -5.304 14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.960 -5.914 15.330 1.00 0.00 H new ATOM 294 N HIS A 19 4.389 -11.952 11.004 1.00 0.00 N ATOM 295 CA HIS A 19 4.035 -13.381 11.225 1.00 0.00 C ATOM 296 C HIS A 19 4.021 -14.180 9.903 1.00 0.00 C ATOM 297 O HIS A 19 3.481 -15.293 9.865 1.00 0.00 O ATOM 298 CB HIS A 19 2.661 -13.496 11.944 1.00 0.00 C ATOM 299 CG HIS A 19 2.716 -13.274 13.436 1.00 0.00 C ATOM 300 ND1 HIS A 19 2.978 -14.291 14.332 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.536 -12.163 14.190 1.00 0.00 C ATOM 302 CE1 HIS A 19 2.954 -13.819 15.559 1.00 0.00 C ATOM 303 NE2 HIS A 19 2.688 -12.534 15.500 1.00 0.00 N ATOM 0 H HIS A 19 3.588 -11.367 10.767 1.00 0.00 H new ATOM 0 HA HIS A 19 4.805 -13.815 11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.974 -12.771 11.506 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.246 -14.485 11.751 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.314 -11.171 13.826 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.124 -14.390 16.460 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.607 -11.910 16.303 1.00 0.00 H new ATOM 312 N ASP A 20 4.589 -13.585 8.825 1.00 0.00 N ATOM 313 CA ASP A 20 4.789 -14.237 7.492 1.00 0.00 C ATOM 314 C ASP A 20 3.455 -14.432 6.710 1.00 0.00 C ATOM 315 O ASP A 20 3.462 -14.896 5.564 1.00 0.00 O ATOM 316 CB ASP A 20 5.590 -15.573 7.637 1.00 0.00 C ATOM 317 CG ASP A 20 6.069 -16.176 6.303 1.00 0.00 C ATOM 318 OD1 ASP A 20 7.084 -15.697 5.760 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.436 -17.124 5.782 1.00 0.00 O ATOM 0 H ASP A 20 4.929 -12.624 8.850 1.00 0.00 H new ATOM 0 HA ASP A 20 5.388 -13.555 6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.457 -15.395 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.964 -16.304 8.148 1.00 0.00 H new ATOM 324 N ASN A 21 2.321 -14.039 7.324 1.00 0.00 N ATOM 325 CA ASN A 21 0.972 -14.097 6.718 1.00 0.00 C ATOM 326 C ASN A 21 0.774 -12.916 5.734 1.00 0.00 C ATOM 327 O ASN A 21 -0.128 -12.081 5.906 1.00 0.00 O ATOM 328 CB ASN A 21 -0.116 -14.063 7.841 1.00 0.00 C ATOM 329 CG ASN A 21 0.020 -15.137 8.924 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.255 -14.884 10.097 1.00 0.00 O ATOM 331 ND2 ASN A 21 0.386 -16.346 8.542 1.00 0.00 N ATOM 0 H ASN A 21 2.315 -13.665 8.273 1.00 0.00 H new ATOM 0 HA ASN A 21 0.872 -15.028 6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.089 -13.084 8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.097 -14.163 7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.447 -17.100 9.226 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.608 -16.526 7.563 1.00 0.00 H new ATOM 338 N ALA A 22 1.616 -12.876 4.689 1.00 0.00 N ATOM 339 CA ALA A 22 1.616 -11.819 3.675 1.00 0.00 C ATOM 340 C ALA A 22 0.317 -11.848 2.861 1.00 0.00 C ATOM 341 O ALA A 22 -0.168 -10.806 2.446 1.00 0.00 O ATOM 342 CB ALA A 22 2.848 -11.969 2.774 1.00 0.00 C ATOM 0 H ALA A 22 2.326 -13.590 4.526 1.00 0.00 H new ATOM 0 HA ALA A 22 1.667 -10.848 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.846 -11.181 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.752 -11.891 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.823 -12.942 2.282 1.00 0.00 H new ATOM 348 N SER A 23 -0.222 -13.065 2.658 1.00 0.00 N ATOM 349 CA SER A 23 -1.527 -13.309 2.011 1.00 0.00 C ATOM 350 C SER A 23 -2.684 -12.634 2.778 1.00 0.00 C ATOM 351 O SER A 23 -3.497 -11.921 2.180 1.00 0.00 O ATOM 352 CB SER A 23 -1.760 -14.833 1.911 1.00 0.00 C ATOM 353 OG SER A 23 -1.641 -15.441 3.192 1.00 0.00 O ATOM 0 H SER A 23 0.247 -13.924 2.945 1.00 0.00 H new ATOM 0 HA SER A 23 -1.508 -12.869 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.750 -15.029 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.037 -15.273 1.225 1.00 0.00 H new ATOM 0 HG SER A 23 -1.793 -16.406 3.112 1.00 0.00 H new ATOM 359 N ARG A 24 -2.732 -12.849 4.113 1.00 0.00 N ATOM 360 CA ARG A 24 -3.749 -12.242 5.003 1.00 0.00 C ATOM 361 C ARG A 24 -3.637 -10.708 4.991 1.00 0.00 C ATOM 362 O ARG A 24 -4.646 -9.996 4.934 1.00 0.00 O ATOM 363 CB ARG A 24 -3.557 -12.771 6.450 1.00 0.00 C ATOM 364 CG ARG A 24 -3.747 -14.295 6.627 1.00 0.00 C ATOM 365 CD ARG A 24 -5.212 -14.737 6.499 1.00 0.00 C ATOM 366 NE ARG A 24 -5.368 -16.195 6.694 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.517 -16.826 7.016 1.00 0.00 C ATOM 368 NH1 ARG A 24 -7.646 -16.138 7.185 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.535 -18.143 7.156 1.00 0.00 N ATOM 0 H ARG A 24 -2.067 -13.448 4.603 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.739 -12.519 4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.555 -12.505 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.260 -12.255 7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.149 -14.819 5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.368 -14.591 7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.817 -14.206 7.234 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.590 -14.460 5.515 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.536 -16.773 6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.647 -15.124 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.509 -16.625 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.680 -18.682 7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.404 -18.618 7.399 1.00 0.00 H new ATOM 383 N ALA A 25 -2.383 -10.234 5.029 1.00 0.00 N ATOM 384 CA ALA A 25 -2.050 -8.808 4.991 1.00 0.00 C ATOM 385 C ALA A 25 -2.454 -8.176 3.656 1.00 0.00 C ATOM 386 O ALA A 25 -2.974 -7.060 3.629 1.00 0.00 O ATOM 387 CB ALA A 25 -0.547 -8.642 5.225 1.00 0.00 C ATOM 0 H ALA A 25 -1.564 -10.840 5.088 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.606 -8.296 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.289 -7.583 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.282 -9.056 6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.003 -9.169 4.445 1.00 0.00 H new ATOM 393 N LEU A 26 -2.254 -8.947 2.567 1.00 0.00 N ATOM 394 CA LEU A 26 -2.505 -8.496 1.193 1.00 0.00 C ATOM 395 C LEU A 26 -3.993 -8.221 1.023 1.00 0.00 C ATOM 396 O LEU A 26 -4.373 -7.129 0.632 1.00 0.00 O ATOM 397 CB LEU A 26 -2.006 -9.558 0.170 1.00 0.00 C ATOM 398 CG LEU A 26 -1.952 -9.113 -1.324 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.950 -7.958 -1.531 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.610 -10.303 -2.251 1.00 0.00 C ATOM 0 H LEU A 26 -1.911 -9.906 2.623 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.953 -7.576 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.007 -9.876 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.653 -10.432 0.243 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.944 -8.750 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.937 -7.672 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.251 -7.103 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.046 -8.282 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.580 -9.961 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.638 -10.711 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.371 -11.076 -2.146 1.00 0.00 H new ATOM 412 N ALA A 27 -4.811 -9.218 1.404 1.00 0.00 N ATOM 413 CA ALA A 27 -6.278 -9.144 1.357 1.00 0.00 C ATOM 414 C ALA A 27 -6.829 -7.936 2.138 1.00 0.00 C ATOM 415 O ALA A 27 -7.754 -7.272 1.670 1.00 0.00 O ATOM 416 CB ALA A 27 -6.879 -10.454 1.886 1.00 0.00 C ATOM 0 H ALA A 27 -4.464 -10.110 1.758 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.571 -9.003 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.967 -10.396 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.539 -11.286 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.558 -10.612 2.916 1.00 0.00 H new ATOM 422 N LEU A 28 -6.255 -7.670 3.330 1.00 0.00 N ATOM 423 CA LEU A 28 -6.652 -6.522 4.169 1.00 0.00 C ATOM 424 C LEU A 28 -6.367 -5.178 3.476 1.00 0.00 C ATOM 425 O LEU A 28 -7.246 -4.310 3.439 1.00 0.00 O ATOM 426 CB LEU A 28 -5.961 -6.580 5.562 1.00 0.00 C ATOM 427 CG LEU A 28 -6.474 -7.708 6.522 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.685 -7.726 7.844 1.00 0.00 C ATOM 429 CD2 LEU A 28 -7.989 -7.562 6.792 1.00 0.00 C ATOM 0 H LEU A 28 -5.511 -8.239 3.734 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.730 -6.592 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.890 -6.714 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.096 -5.618 6.056 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.307 -8.662 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.067 -8.520 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.630 -7.904 7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.798 -6.766 8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.318 -8.358 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.185 -6.595 7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.535 -7.631 5.851 1.00 0.00 H new ATOM 441 N PHE A 29 -5.152 -5.025 2.909 1.00 0.00 N ATOM 442 CA PHE A 29 -4.742 -3.783 2.228 1.00 0.00 C ATOM 443 C PHE A 29 -5.576 -3.555 0.938 1.00 0.00 C ATOM 444 O PHE A 29 -6.038 -2.438 0.673 1.00 0.00 O ATOM 445 CB PHE A 29 -3.229 -3.798 1.882 1.00 0.00 C ATOM 446 CG PHE A 29 -2.242 -3.777 3.061 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.407 -2.903 4.137 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.117 -4.614 3.068 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.486 -2.867 5.174 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.204 -4.577 4.108 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.388 -3.709 5.161 1.00 0.00 C ATOM 0 H PHE A 29 -4.436 -5.751 2.911 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.928 -2.960 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.027 -4.689 1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.018 -2.936 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.264 -2.246 4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.960 -5.299 2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.627 -2.179 5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.655 -5.231 4.093 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.322 -3.685 5.974 1.00 0.00 H new ATOM 461 N GLU A 30 -5.756 -4.619 0.140 1.00 0.00 N ATOM 462 CA GLU A 30 -6.588 -4.588 -1.085 1.00 0.00 C ATOM 463 C GLU A 30 -8.029 -4.156 -0.767 1.00 0.00 C ATOM 464 O GLU A 30 -8.620 -3.347 -1.501 1.00 0.00 O ATOM 465 CB GLU A 30 -6.596 -5.975 -1.776 1.00 0.00 C ATOM 466 CG GLU A 30 -5.223 -6.450 -2.303 1.00 0.00 C ATOM 467 CD GLU A 30 -5.270 -7.862 -2.902 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.325 -8.843 -2.127 1.00 0.00 O ATOM 469 OE2 GLU A 30 -5.289 -8.000 -4.144 1.00 0.00 O ATOM 0 H GLU A 30 -5.331 -5.528 0.321 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.149 -3.856 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.972 -6.714 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.298 -5.945 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.868 -5.751 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.500 -6.430 -1.488 1.00 0.00 H new ATOM 476 N GLU A 31 -8.568 -4.683 0.346 1.00 0.00 N ATOM 477 CA GLU A 31 -9.926 -4.375 0.796 1.00 0.00 C ATOM 478 C GLU A 31 -10.032 -2.911 1.257 1.00 0.00 C ATOM 479 O GLU A 31 -11.053 -2.261 1.038 1.00 0.00 O ATOM 480 CB GLU A 31 -10.367 -5.351 1.909 1.00 0.00 C ATOM 481 CG GLU A 31 -11.804 -5.125 2.416 1.00 0.00 C ATOM 482 CD GLU A 31 -12.312 -6.239 3.335 1.00 0.00 C ATOM 483 OE1 GLU A 31 -11.703 -6.454 4.409 1.00 0.00 O ATOM 484 OE2 GLU A 31 -13.321 -6.900 2.993 1.00 0.00 O ATOM 0 H GLU A 31 -8.071 -5.333 0.955 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.605 -4.504 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.282 -6.372 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.679 -5.260 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.847 -4.176 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.473 -5.038 1.560 1.00 0.00 H new ATOM 491 N LEU A 32 -8.952 -2.408 1.870 1.00 0.00 N ATOM 492 CA LEU A 32 -8.858 -1.006 2.319 1.00 0.00 C ATOM 493 C LEU A 32 -8.929 -0.022 1.146 1.00 0.00 C ATOM 494 O LEU A 32 -9.520 1.032 1.284 1.00 0.00 O ATOM 495 CB LEU A 32 -7.562 -0.787 3.138 1.00 0.00 C ATOM 496 CG LEU A 32 -7.593 -1.324 4.598 1.00 0.00 C ATOM 497 CD1 LEU A 32 -6.185 -1.341 5.230 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.572 -0.488 5.447 1.00 0.00 C ATOM 0 H LEU A 32 -8.117 -2.959 2.070 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.718 -0.808 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.735 -1.264 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.347 0.281 3.167 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.943 -2.356 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.248 -1.722 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.530 -1.984 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.781 -0.329 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.587 -0.871 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.249 0.553 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.572 -0.554 5.020 1.00 0.00 H new ATOM 510 N VAL A 33 -8.311 -0.377 0.011 1.00 0.00 N ATOM 511 CA VAL A 33 -8.306 0.469 -1.200 1.00 0.00 C ATOM 512 C VAL A 33 -9.705 0.528 -1.860 1.00 0.00 C ATOM 513 O VAL A 33 -10.190 1.608 -2.190 1.00 0.00 O ATOM 514 CB VAL A 33 -7.225 -0.041 -2.230 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.342 0.648 -3.613 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.803 0.145 -1.654 1.00 0.00 C ATOM 0 H VAL A 33 -7.801 -1.254 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.044 1.482 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.416 -1.102 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.573 0.258 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.326 0.448 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.209 1.724 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.068 -0.211 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.628 1.201 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.708 -0.424 -0.729 1.00 0.00 H new ATOM 526 N GLU A 34 -10.336 -0.642 -2.065 1.00 0.00 N ATOM 527 CA GLU A 34 -11.651 -0.727 -2.739 1.00 0.00 C ATOM 528 C GLU A 34 -12.782 -0.063 -1.917 1.00 0.00 C ATOM 529 O GLU A 34 -13.729 0.484 -2.498 1.00 0.00 O ATOM 530 CB GLU A 34 -11.991 -2.201 -3.073 1.00 0.00 C ATOM 531 CG GLU A 34 -12.136 -3.116 -1.852 1.00 0.00 C ATOM 532 CD GLU A 34 -12.243 -4.602 -2.212 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.200 -5.222 -2.515 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.362 -5.157 -2.187 1.00 0.00 O ATOM 0 H GLU A 34 -9.959 -1.544 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.576 -0.165 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.921 -2.226 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.211 -2.602 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.279 -2.970 -1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.022 -2.821 -1.290 1.00 0.00 H new ATOM 541 N THR A 35 -12.688 -0.120 -0.567 1.00 0.00 N ATOM 542 CA THR A 35 -13.695 0.492 0.332 1.00 0.00 C ATOM 543 C THR A 35 -13.338 1.950 0.661 1.00 0.00 C ATOM 544 O THR A 35 -14.227 2.790 0.847 1.00 0.00 O ATOM 545 CB THR A 35 -13.853 -0.333 1.654 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.600 -0.405 2.355 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.357 -1.754 1.377 1.00 0.00 C ATOM 0 H THR A 35 -11.924 -0.584 -0.076 1.00 0.00 H new ATOM 0 HA THR A 35 -14.647 0.481 -0.198 1.00 0.00 H new ATOM 0 HB THR A 35 -14.590 0.183 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.972 -0.961 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.454 -2.296 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.328 -1.706 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.648 -2.272 0.732 1.00 0.00 H new ATOM 555 N ASP A 36 -12.030 2.244 0.718 1.00 0.00 N ATOM 556 CA ASP A 36 -11.498 3.592 1.040 1.00 0.00 C ATOM 557 C ASP A 36 -10.380 3.940 0.032 1.00 0.00 C ATOM 558 O ASP A 36 -9.192 3.747 0.331 1.00 0.00 O ATOM 559 CB ASP A 36 -10.945 3.654 2.493 1.00 0.00 C ATOM 560 CG ASP A 36 -11.984 3.303 3.559 1.00 0.00 C ATOM 561 OD1 ASP A 36 -12.748 4.198 3.980 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.055 2.128 3.985 1.00 0.00 O ATOM 0 H ASP A 36 -11.300 1.553 0.542 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.310 4.316 0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.101 2.970 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.564 4.657 2.685 1.00 0.00 H new ATOM 567 N PRO A 37 -10.739 4.410 -1.207 1.00 0.00 N ATOM 568 CA PRO A 37 -9.747 4.863 -2.215 1.00 0.00 C ATOM 569 C PRO A 37 -8.915 6.075 -1.737 1.00 0.00 C ATOM 570 O PRO A 37 -7.851 6.357 -2.275 1.00 0.00 O ATOM 571 CB PRO A 37 -10.619 5.230 -3.458 1.00 0.00 C ATOM 572 CG PRO A 37 -11.903 4.486 -3.246 1.00 0.00 C ATOM 573 CD PRO A 37 -12.116 4.493 -1.748 1.00 0.00 C ATOM 0 HA PRO A 37 -9.004 4.092 -2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.788 6.305 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.134 4.929 -4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.730 4.970 -3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.838 3.468 -3.631 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.624 5.399 -1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.727 3.650 -1.425 1.00 0.00 H new ATOM 581 N ASP A 38 -9.405 6.747 -0.697 1.00 0.00 N ATOM 582 CA ASP A 38 -8.812 7.978 -0.151 1.00 0.00 C ATOM 583 C ASP A 38 -7.820 7.696 0.999 1.00 0.00 C ATOM 584 O ASP A 38 -7.396 8.630 1.693 1.00 0.00 O ATOM 585 CB ASP A 38 -9.958 8.902 0.338 1.00 0.00 C ATOM 586 CG ASP A 38 -10.748 8.322 1.538 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.525 7.359 1.356 1.00 0.00 O ATOM 588 OD2 ASP A 38 -10.614 8.844 2.661 1.00 0.00 O ATOM 0 H ASP A 38 -10.242 6.449 -0.196 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.239 8.464 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.540 9.868 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.647 9.082 -0.488 1.00 0.00 H new ATOM 593 N TYR A 39 -7.412 6.421 1.176 1.00 0.00 N ATOM 594 CA TYR A 39 -6.571 6.007 2.317 1.00 0.00 C ATOM 595 C TYR A 39 -5.140 5.756 1.798 1.00 0.00 C ATOM 596 O TYR A 39 -4.792 4.629 1.412 1.00 0.00 O ATOM 597 CB TYR A 39 -7.150 4.741 3.025 1.00 0.00 C ATOM 598 CG TYR A 39 -6.647 4.546 4.477 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.443 3.895 4.752 1.00 0.00 C ATOM 600 CD2 TYR A 39 -7.361 5.055 5.565 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.982 3.734 6.046 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.902 4.899 6.860 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.711 4.244 7.095 1.00 0.00 C ATOM 604 OH TYR A 39 -5.256 4.084 8.388 1.00 0.00 O ATOM 0 H TYR A 39 -7.653 5.660 0.541 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.557 6.799 3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.238 4.808 3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.890 3.859 2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.856 3.507 3.933 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.289 5.580 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.055 3.211 6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.476 5.290 7.687 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.886 4.503 9.011 1.00 0.00 H new ATOM 614 N VAL A 40 -4.325 6.825 1.784 1.00 0.00 N ATOM 615 CA VAL A 40 -2.983 6.834 1.155 1.00 0.00 C ATOM 616 C VAL A 40 -2.010 5.843 1.830 1.00 0.00 C ATOM 617 O VAL A 40 -1.196 5.200 1.146 1.00 0.00 O ATOM 618 CB VAL A 40 -2.354 8.275 1.208 1.00 0.00 C ATOM 619 CG1 VAL A 40 -0.998 8.334 0.472 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.329 9.326 0.644 1.00 0.00 C ATOM 0 H VAL A 40 -4.577 7.716 2.211 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.127 6.524 0.120 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.169 8.509 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.596 9.345 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.300 7.638 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.139 8.060 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.868 10.313 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.563 9.086 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.246 9.324 1.233 1.00 0.00 H new ATOM 630 N GLY A 41 -2.122 5.719 3.173 1.00 0.00 N ATOM 631 CA GLY A 41 -1.218 4.877 3.969 1.00 0.00 C ATOM 632 C GLY A 41 -1.229 3.414 3.537 1.00 0.00 C ATOM 633 O GLY A 41 -0.182 2.740 3.554 1.00 0.00 O ATOM 0 H GLY A 41 -2.835 6.197 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.203 5.266 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.501 4.942 5.020 1.00 0.00 H new ATOM 637 N THR A 42 -2.418 2.932 3.141 1.00 0.00 N ATOM 638 CA THR A 42 -2.602 1.584 2.615 1.00 0.00 C ATOM 639 C THR A 42 -1.837 1.383 1.303 1.00 0.00 C ATOM 640 O THR A 42 -1.153 0.379 1.166 1.00 0.00 O ATOM 641 CB THR A 42 -4.110 1.261 2.413 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.755 1.214 3.688 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.320 -0.073 1.705 1.00 0.00 C ATOM 0 H THR A 42 -3.280 3.476 3.180 1.00 0.00 H new ATOM 0 HA THR A 42 -2.196 0.893 3.354 1.00 0.00 H new ATOM 0 HB THR A 42 -4.537 2.046 1.788 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.298 2.021 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.388 -0.257 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.845 -0.043 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.878 -0.873 2.298 1.00 0.00 H new ATOM 651 N TYR A 43 -1.926 2.368 0.375 1.00 0.00 N ATOM 652 CA TYR A 43 -1.312 2.263 -0.970 1.00 0.00 C ATOM 653 C TYR A 43 0.201 1.992 -0.894 1.00 0.00 C ATOM 654 O TYR A 43 0.726 1.179 -1.666 1.00 0.00 O ATOM 655 CB TYR A 43 -1.578 3.532 -1.817 1.00 0.00 C ATOM 656 CG TYR A 43 -3.026 3.661 -2.325 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.410 3.109 -3.554 1.00 0.00 C ATOM 658 CD2 TYR A 43 -4.000 4.336 -1.593 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.698 3.232 -4.021 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.291 4.456 -2.063 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.630 3.903 -3.276 1.00 0.00 C ATOM 662 OH TYR A 43 -6.908 4.026 -3.755 1.00 0.00 O ATOM 0 H TYR A 43 -2.419 3.246 0.536 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.786 1.412 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.335 4.411 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.903 3.532 -2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.681 2.577 -4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.740 4.773 -0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.973 2.801 -4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.033 4.982 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.307 4.854 -3.414 1.00 0.00 H new ATOM 672 N TYR A 44 0.886 2.702 0.023 1.00 0.00 N ATOM 673 CA TYR A 44 2.304 2.457 0.323 1.00 0.00 C ATOM 674 C TYR A 44 2.548 0.990 0.730 1.00 0.00 C ATOM 675 O TYR A 44 3.200 0.259 0.002 1.00 0.00 O ATOM 676 CB TYR A 44 2.809 3.423 1.427 1.00 0.00 C ATOM 677 CG TYR A 44 4.340 3.381 1.612 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.191 3.958 0.663 1.00 0.00 C ATOM 679 CD2 TYR A 44 4.934 2.755 2.717 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.562 3.906 0.806 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.305 2.710 2.864 1.00 0.00 C ATOM 682 CZ TYR A 44 7.112 3.287 1.907 1.00 0.00 C ATOM 683 OH TYR A 44 8.478 3.224 2.040 1.00 0.00 O ATOM 0 H TYR A 44 0.473 3.456 0.572 1.00 0.00 H new ATOM 0 HA TYR A 44 2.872 2.648 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.507 4.440 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.328 3.170 2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.766 4.453 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.306 2.299 3.468 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.202 4.349 0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.743 2.226 3.724 1.00 0.00 H new ATOM 0 HH TYR A 44 8.713 3.201 2.991 1.00 0.00 H new ATOM 693 N HIS A 45 1.960 0.577 1.865 1.00 0.00 N ATOM 694 CA HIS A 45 2.184 -0.767 2.466 1.00 0.00 C ATOM 695 C HIS A 45 1.719 -1.923 1.555 1.00 0.00 C ATOM 696 O HIS A 45 2.272 -3.025 1.621 1.00 0.00 O ATOM 697 CB HIS A 45 1.518 -0.862 3.863 1.00 0.00 C ATOM 698 CG HIS A 45 2.212 -0.051 4.921 1.00 0.00 C ATOM 699 ND1 HIS A 45 2.760 -0.602 6.061 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.444 1.279 5.005 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.292 0.356 6.790 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.111 1.496 6.174 1.00 0.00 N ATOM 0 H HIS A 45 1.314 1.159 2.399 1.00 0.00 H new ATOM 0 HA HIS A 45 3.262 -0.880 2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.483 -0.531 3.785 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.496 -1.906 4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.155 2.028 4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.794 0.223 7.737 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.421 2.406 6.515 1.00 0.00 H new ATOM 711 N LEU A 46 0.717 -1.651 0.715 1.00 0.00 N ATOM 712 CA LEU A 46 0.177 -2.624 -0.249 1.00 0.00 C ATOM 713 C LEU A 46 1.164 -2.821 -1.401 1.00 0.00 C ATOM 714 O LEU A 46 1.419 -3.959 -1.815 1.00 0.00 O ATOM 715 CB LEU A 46 -1.206 -2.148 -0.774 1.00 0.00 C ATOM 716 CG LEU A 46 -1.905 -3.048 -1.849 1.00 0.00 C ATOM 717 CD1 LEU A 46 -2.040 -4.517 -1.386 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.286 -2.483 -2.235 1.00 0.00 C ATOM 0 H LEU A 46 0.252 -0.744 0.681 1.00 0.00 H new ATOM 0 HA LEU A 46 0.037 -3.583 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.878 -2.054 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.084 -1.150 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.262 -3.037 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.530 -5.100 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.050 -4.930 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.635 -4.558 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.747 -3.128 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.922 -2.440 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.167 -1.480 -2.645 1.00 0.00 H new ATOM 730 N GLY A 47 1.736 -1.707 -1.887 1.00 0.00 N ATOM 731 CA GLY A 47 2.699 -1.739 -2.976 1.00 0.00 C ATOM 732 C GLY A 47 4.019 -2.358 -2.548 1.00 0.00 C ATOM 733 O GLY A 47 4.599 -3.149 -3.284 1.00 0.00 O ATOM 0 H GLY A 47 1.539 -0.771 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.285 -2.307 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.873 -0.725 -3.336 1.00 0.00 H new ATOM 737 N LYS A 48 4.476 -1.996 -1.332 1.00 0.00 N ATOM 738 CA LYS A 48 5.711 -2.527 -0.722 1.00 0.00 C ATOM 739 C LYS A 48 5.604 -4.048 -0.548 1.00 0.00 C ATOM 740 O LYS A 48 6.576 -4.775 -0.744 1.00 0.00 O ATOM 741 CB LYS A 48 5.967 -1.842 0.650 1.00 0.00 C ATOM 742 CG LYS A 48 6.238 -0.312 0.592 1.00 0.00 C ATOM 743 CD LYS A 48 7.621 0.055 -0.009 1.00 0.00 C ATOM 744 CE LYS A 48 8.804 -0.408 0.865 1.00 0.00 C ATOM 745 NZ LYS A 48 8.763 0.186 2.231 1.00 0.00 N ATOM 0 H LYS A 48 3.993 -1.320 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 48 6.551 -2.311 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.103 -2.017 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.820 -2.327 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.457 0.164 -0.000 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.169 0.099 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.711 -0.394 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.677 1.135 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.792 -1.495 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.741 -0.134 0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.657 -0.014 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.631 1.215 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.973 -0.228 2.766 1.00 0.00 H new ATOM 759 N LEU A 49 4.394 -4.501 -0.183 1.00 0.00 N ATOM 760 CA LEU A 49 4.065 -5.923 -0.048 1.00 0.00 C ATOM 761 C LEU A 49 4.139 -6.637 -1.413 1.00 0.00 C ATOM 762 O LEU A 49 4.704 -7.738 -1.508 1.00 0.00 O ATOM 763 CB LEU A 49 2.668 -6.060 0.611 1.00 0.00 C ATOM 764 CG LEU A 49 2.095 -7.501 0.797 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.145 -8.474 1.371 1.00 0.00 C ATOM 766 CD2 LEU A 49 0.848 -7.462 1.701 1.00 0.00 C ATOM 0 H LEU A 49 3.611 -3.882 0.028 1.00 0.00 H new ATOM 0 HA LEU A 49 4.797 -6.411 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.711 -5.586 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.957 -5.490 0.013 1.00 0.00 H new ATOM 0 HG LEU A 49 1.815 -7.873 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.701 -9.463 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.996 -8.533 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.481 -8.115 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.456 -8.472 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.118 -7.056 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.086 -6.831 1.243 1.00 0.00 H new ATOM 778 N TYR A 50 3.595 -5.988 -2.459 1.00 0.00 N ATOM 779 CA TYR A 50 3.681 -6.484 -3.841 1.00 0.00 C ATOM 780 C TYR A 50 5.150 -6.664 -4.273 1.00 0.00 C ATOM 781 O TYR A 50 5.495 -7.685 -4.852 1.00 0.00 O ATOM 782 CB TYR A 50 2.971 -5.527 -4.830 1.00 0.00 C ATOM 783 CG TYR A 50 1.435 -5.564 -4.824 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.734 -6.778 -4.888 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.684 -4.387 -4.822 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.651 -6.800 -4.943 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.690 -4.415 -4.867 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.354 -5.614 -4.930 1.00 0.00 C ATOM 789 OH TYR A 50 -2.732 -5.622 -4.973 1.00 0.00 O ATOM 0 H TYR A 50 3.086 -5.109 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 50 3.178 -7.451 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.290 -4.508 -4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.316 -5.758 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.282 -7.709 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.193 -3.435 -4.784 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.177 -7.742 -4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.248 -3.491 -4.853 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.065 -4.701 -4.955 1.00 0.00 H new ATOM 799 N GLU A 51 6.001 -5.670 -3.949 1.00 0.00 N ATOM 800 CA GLU A 51 7.447 -5.685 -4.273 1.00 0.00 C ATOM 801 C GLU A 51 8.133 -6.955 -3.723 1.00 0.00 C ATOM 802 O GLU A 51 8.922 -7.598 -4.423 1.00 0.00 O ATOM 803 CB GLU A 51 8.136 -4.424 -3.696 1.00 0.00 C ATOM 804 CG GLU A 51 7.640 -3.083 -4.274 1.00 0.00 C ATOM 805 CD GLU A 51 8.195 -1.833 -3.559 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.779 -1.952 -2.461 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.044 -0.713 -4.081 1.00 0.00 O ATOM 0 H GLU A 51 5.706 -4.829 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 51 7.546 -5.688 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.990 -4.412 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.209 -4.503 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.912 -3.034 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.551 -3.061 -4.224 1.00 0.00 H new ATOM 814 N ARG A 52 7.771 -7.324 -2.476 1.00 0.00 N ATOM 815 CA ARG A 52 8.312 -8.517 -1.787 1.00 0.00 C ATOM 816 C ARG A 52 7.841 -9.815 -2.477 1.00 0.00 C ATOM 817 O ARG A 52 8.592 -10.791 -2.563 1.00 0.00 O ATOM 818 CB ARG A 52 7.858 -8.527 -0.305 1.00 0.00 C ATOM 819 CG ARG A 52 8.200 -7.248 0.487 1.00 0.00 C ATOM 820 CD ARG A 52 7.658 -7.275 1.927 1.00 0.00 C ATOM 821 NE ARG A 52 8.394 -8.235 2.781 1.00 0.00 N ATOM 822 CZ ARG A 52 7.846 -9.128 3.620 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.535 -9.305 3.673 1.00 0.00 N ATOM 824 NH2 ARG A 52 8.631 -9.860 4.395 1.00 0.00 N ATOM 0 H ARG A 52 7.095 -6.803 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 52 9.400 -8.470 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.779 -8.680 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.317 -9.380 0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.282 -7.121 0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.790 -6.383 -0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.729 -6.277 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.601 -7.541 1.911 1.00 0.00 H new ATOM 0 HE ARG A 52 9.412 -8.216 2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.922 -8.758 3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.138 -9.989 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.643 -9.743 4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.223 -10.541 5.036 1.00 0.00 H new ATOM 838 N LEU A 53 6.595 -9.794 -2.986 1.00 0.00 N ATOM 839 CA LEU A 53 5.954 -10.952 -3.647 1.00 0.00 C ATOM 840 C LEU A 53 6.303 -11.050 -5.162 1.00 0.00 C ATOM 841 O LEU A 53 5.624 -11.787 -5.895 1.00 0.00 O ATOM 842 CB LEU A 53 4.414 -10.847 -3.447 1.00 0.00 C ATOM 843 CG LEU A 53 3.905 -10.963 -1.973 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.390 -10.661 -1.869 1.00 0.00 C ATOM 845 CD2 LEU A 53 4.231 -12.356 -1.379 1.00 0.00 C ATOM 0 H LEU A 53 5.998 -8.968 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 53 6.338 -11.863 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.079 -9.892 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.937 -11.629 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 53 4.433 -10.211 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.071 -10.751 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.196 -9.648 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.835 -11.371 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.866 -12.409 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.747 -13.129 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.310 -12.512 -1.388 1.00 0.00 H new ATOM 857 N ASP A 54 7.354 -10.308 -5.614 1.00 0.00 N ATOM 858 CA ASP A 54 7.786 -10.229 -7.053 1.00 0.00 C ATOM 859 C ASP A 54 6.705 -9.561 -7.960 1.00 0.00 C ATOM 860 O ASP A 54 6.848 -9.471 -9.179 1.00 0.00 O ATOM 861 CB ASP A 54 8.208 -11.646 -7.576 1.00 0.00 C ATOM 862 CG ASP A 54 8.705 -11.684 -9.041 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.836 -11.224 -9.309 1.00 0.00 O ATOM 864 OD2 ASP A 54 7.962 -12.178 -9.928 1.00 0.00 O ATOM 0 H ASP A 54 7.932 -9.743 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 54 8.660 -9.579 -7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.996 -12.034 -6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.357 -12.320 -7.480 1.00 0.00 H new ATOM 869 N ARG A 55 5.673 -9.001 -7.324 1.00 0.00 N ATOM 870 CA ARG A 55 4.523 -8.370 -7.999 1.00 0.00 C ATOM 871 C ARG A 55 4.803 -6.872 -8.202 1.00 0.00 C ATOM 872 O ARG A 55 3.991 -6.018 -7.849 1.00 0.00 O ATOM 873 CB ARG A 55 3.226 -8.607 -7.171 1.00 0.00 C ATOM 874 CG ARG A 55 2.873 -10.087 -6.929 1.00 0.00 C ATOM 875 CD ARG A 55 2.723 -10.888 -8.236 1.00 0.00 C ATOM 876 NE ARG A 55 1.702 -10.315 -9.136 1.00 0.00 N ATOM 877 CZ ARG A 55 1.042 -10.986 -10.090 1.00 0.00 C ATOM 878 NH1 ARG A 55 1.243 -12.290 -10.278 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.173 -10.341 -10.849 1.00 0.00 N ATOM 0 H ARG A 55 5.607 -8.970 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 55 4.376 -8.821 -8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.333 -8.111 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.392 -8.129 -7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.649 -10.545 -6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.943 -10.146 -6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.682 -10.918 -8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.457 -11.918 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 55 1.481 -9.326 -9.022 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.908 -12.793 -9.691 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.732 -12.785 -11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.011 -9.344 -10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.336 -10.840 -11.579 1.00 0.00 H new ATOM 893 N THR A 56 5.969 -6.584 -8.802 1.00 0.00 N ATOM 894 CA THR A 56 6.453 -5.225 -9.050 1.00 0.00 C ATOM 895 C THR A 56 5.469 -4.412 -9.910 1.00 0.00 C ATOM 896 O THR A 56 5.217 -3.256 -9.605 1.00 0.00 O ATOM 897 CB THR A 56 7.845 -5.265 -9.738 1.00 0.00 C ATOM 898 OG1 THR A 56 8.763 -6.011 -8.925 1.00 0.00 O ATOM 899 CG2 THR A 56 8.411 -3.857 -9.993 1.00 0.00 C ATOM 0 H THR A 56 6.610 -7.305 -9.133 1.00 0.00 H new ATOM 0 HA THR A 56 6.539 -4.730 -8.083 1.00 0.00 H new ATOM 0 HB THR A 56 7.717 -5.748 -10.707 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.640 -6.037 -9.361 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.385 -3.938 -10.475 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.731 -3.303 -10.640 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.519 -3.331 -9.044 1.00 0.00 H new ATOM 907 N ASP A 57 4.878 -5.052 -10.936 1.00 0.00 N ATOM 908 CA ASP A 57 3.900 -4.391 -11.836 1.00 0.00 C ATOM 909 C ASP A 57 2.680 -3.888 -11.033 1.00 0.00 C ATOM 910 O ASP A 57 2.215 -2.760 -11.221 1.00 0.00 O ATOM 911 CB ASP A 57 3.446 -5.366 -12.946 1.00 0.00 C ATOM 912 CG ASP A 57 2.333 -4.792 -13.850 1.00 0.00 C ATOM 913 OD1 ASP A 57 2.632 -3.944 -14.712 1.00 0.00 O ATOM 914 OD2 ASP A 57 1.157 -5.178 -13.691 1.00 0.00 O ATOM 0 H ASP A 57 5.058 -6.029 -11.167 1.00 0.00 H new ATOM 0 HA ASP A 57 4.385 -3.533 -12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.306 -5.628 -13.563 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.091 -6.288 -12.486 1.00 0.00 H new ATOM 919 N ASP A 58 2.200 -4.750 -10.126 1.00 0.00 N ATOM 920 CA ASP A 58 1.099 -4.434 -9.205 1.00 0.00 C ATOM 921 C ASP A 58 1.496 -3.267 -8.282 1.00 0.00 C ATOM 922 O ASP A 58 0.695 -2.377 -8.031 1.00 0.00 O ATOM 923 CB ASP A 58 0.728 -5.667 -8.345 1.00 0.00 C ATOM 924 CG ASP A 58 0.258 -6.880 -9.154 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.082 -7.470 -9.885 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.928 -7.254 -9.070 1.00 0.00 O ATOM 0 H ASP A 58 2.568 -5.694 -10.010 1.00 0.00 H new ATOM 0 HA ASP A 58 0.233 -4.148 -9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.595 -5.955 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.059 -5.384 -7.645 1.00 0.00 H new ATOM 931 N ALA A 59 2.761 -3.287 -7.804 1.00 0.00 N ATOM 932 CA ALA A 59 3.309 -2.262 -6.898 1.00 0.00 C ATOM 933 C ALA A 59 3.251 -0.870 -7.545 1.00 0.00 C ATOM 934 O ALA A 59 2.645 0.042 -6.986 1.00 0.00 O ATOM 935 CB ALA A 59 4.747 -2.616 -6.495 1.00 0.00 C ATOM 0 H ALA A 59 3.430 -4.020 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 59 2.695 -2.239 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.137 -1.849 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.755 -3.580 -5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.372 -2.671 -7.387 1.00 0.00 H new ATOM 941 N ILE A 60 3.815 -0.762 -8.767 1.00 0.00 N ATOM 942 CA ILE A 60 3.918 0.503 -9.529 1.00 0.00 C ATOM 943 C ILE A 60 2.514 1.084 -9.777 1.00 0.00 C ATOM 944 O ILE A 60 2.296 2.296 -9.691 1.00 0.00 O ATOM 945 CB ILE A 60 4.631 0.293 -10.925 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.958 -0.508 -10.789 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.893 1.639 -11.631 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.996 0.099 -9.871 1.00 0.00 C ATOM 0 H ILE A 60 4.217 -1.560 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 60 4.517 1.191 -8.932 1.00 0.00 H new ATOM 0 HB ILE A 60 3.947 -0.294 -11.538 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.722 -1.509 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.397 -0.621 -11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.384 1.459 -12.587 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.946 2.152 -11.800 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.535 2.259 -11.005 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.880 -0.539 -9.849 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.271 1.088 -10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.586 0.185 -8.865 1.00 0.00 H new ATOM 960 N ASP A 61 1.580 0.168 -10.060 1.00 0.00 N ATOM 961 CA ASP A 61 0.170 0.473 -10.350 1.00 0.00 C ATOM 962 C ASP A 61 -0.551 1.022 -9.099 1.00 0.00 C ATOM 963 O ASP A 61 -1.336 1.975 -9.194 1.00 0.00 O ATOM 964 CB ASP A 61 -0.521 -0.815 -10.866 1.00 0.00 C ATOM 965 CG ASP A 61 -1.986 -0.623 -11.293 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.226 0.031 -12.326 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.900 -1.139 -10.609 1.00 0.00 O ATOM 0 H ASP A 61 1.787 -0.830 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 61 0.118 1.248 -11.115 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.044 -1.201 -11.714 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.480 -1.573 -10.084 1.00 0.00 H new ATOM 972 N THR A 62 -0.262 0.411 -7.929 1.00 0.00 N ATOM 973 CA THR A 62 -0.843 0.815 -6.636 1.00 0.00 C ATOM 974 C THR A 62 -0.323 2.198 -6.210 1.00 0.00 C ATOM 975 O THR A 62 -1.070 3.005 -5.652 1.00 0.00 O ATOM 976 CB THR A 62 -0.530 -0.249 -5.529 1.00 0.00 C ATOM 977 OG1 THR A 62 -1.051 -1.519 -5.934 1.00 0.00 O ATOM 978 CG2 THR A 62 -1.133 0.110 -4.163 1.00 0.00 C ATOM 0 H THR A 62 0.382 -0.377 -7.858 1.00 0.00 H new ATOM 0 HA THR A 62 -1.924 0.877 -6.759 1.00 0.00 H new ATOM 0 HB THR A 62 0.554 -0.278 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.501 -1.882 -6.660 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.881 -0.665 -3.439 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.730 1.065 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.217 0.185 -4.252 1.00 0.00 H new ATOM 986 N TYR A 63 0.972 2.452 -6.479 1.00 0.00 N ATOM 987 CA TYR A 63 1.603 3.753 -6.212 1.00 0.00 C ATOM 988 C TYR A 63 1.053 4.835 -7.147 1.00 0.00 C ATOM 989 O TYR A 63 0.884 5.954 -6.716 1.00 0.00 O ATOM 990 CB TYR A 63 3.139 3.686 -6.337 1.00 0.00 C ATOM 991 CG TYR A 63 3.807 2.765 -5.309 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.518 2.872 -3.947 1.00 0.00 C ATOM 993 CD2 TYR A 63 4.734 1.803 -5.696 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.125 2.051 -3.024 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.334 0.983 -4.779 1.00 0.00 C ATOM 996 CZ TYR A 63 5.030 1.113 -3.447 1.00 0.00 C ATOM 997 OH TYR A 63 5.639 0.310 -2.532 1.00 0.00 O ATOM 0 H TYR A 63 1.605 1.763 -6.885 1.00 0.00 H new ATOM 0 HA TYR A 63 1.358 4.015 -5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.397 3.344 -7.339 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.547 4.691 -6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.806 3.612 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.985 1.701 -6.741 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.890 2.145 -1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.044 0.236 -5.102 1.00 0.00 H new ATOM 0 HH TYR A 63 6.507 0.017 -2.880 1.00 0.00 H new ATOM 1007 N ALA A 64 0.800 4.482 -8.424 1.00 0.00 N ATOM 1008 CA ALA A 64 0.205 5.392 -9.428 1.00 0.00 C ATOM 1009 C ALA A 64 -1.189 5.891 -8.991 1.00 0.00 C ATOM 1010 O ALA A 64 -1.473 7.094 -9.044 1.00 0.00 O ATOM 1011 CB ALA A 64 0.140 4.687 -10.789 1.00 0.00 C ATOM 0 H ALA A 64 1.003 3.552 -8.791 1.00 0.00 H new ATOM 0 HA ALA A 64 0.842 6.272 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.299 5.359 -11.526 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.146 4.410 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.474 3.790 -10.705 1.00 0.00 H new ATOM 1017 N GLN A 65 -2.036 4.950 -8.537 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.361 5.260 -7.954 1.00 0.00 C ATOM 1019 C GLN A 65 -3.167 6.063 -6.654 1.00 0.00 C ATOM 1020 O GLN A 65 -3.914 7.007 -6.360 1.00 0.00 O ATOM 1021 CB GLN A 65 -4.161 3.930 -7.694 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.650 3.904 -8.176 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.723 4.418 -7.190 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.851 3.922 -7.181 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.435 5.445 -6.416 1.00 0.00 N ATOM 0 H GLN A 65 -1.825 3.952 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.942 5.864 -8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.630 3.112 -8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.146 3.727 -6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.719 4.496 -9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.901 2.877 -8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.498 5.848 -6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.149 5.837 -5.802 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.142 5.654 -5.901 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.763 6.295 -4.659 1.00 0.00 C ATOM 1036 C GLY A 66 -1.368 7.755 -4.833 1.00 0.00 C ATOM 1037 O GLY A 66 -1.714 8.566 -4.008 1.00 0.00 O ATOM 0 H GLY A 66 -1.552 4.859 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.594 6.232 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.929 5.750 -4.216 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.660 8.065 -5.924 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.157 9.421 -6.242 1.00 0.00 C ATOM 1043 C ILE A 67 -1.320 10.410 -6.455 1.00 0.00 C ATOM 1044 O ILE A 67 -1.235 11.580 -6.042 1.00 0.00 O ATOM 1045 CB ILE A 67 0.805 9.346 -7.504 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.185 8.723 -7.088 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.010 10.711 -8.215 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.081 8.319 -8.241 1.00 0.00 C ATOM 0 H ILE A 67 -0.411 7.372 -6.630 1.00 0.00 H new ATOM 0 HA ILE A 67 0.418 9.799 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 67 0.313 8.703 -8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.719 9.443 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.998 7.846 -6.469 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.678 10.581 -9.066 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.048 11.088 -8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.448 11.423 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.009 7.900 -7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.574 7.572 -8.851 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.306 9.194 -8.851 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.419 9.907 -7.047 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.651 10.686 -7.259 1.00 0.00 C ATOM 1062 C GLU A 68 -4.214 11.151 -5.904 1.00 0.00 C ATOM 1063 O GLU A 68 -4.522 12.322 -5.699 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.722 9.821 -7.983 1.00 0.00 C ATOM 1065 CG GLU A 68 -4.235 9.107 -9.263 1.00 0.00 C ATOM 1066 CD GLU A 68 -5.342 8.286 -9.945 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.673 7.188 -9.450 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.904 8.737 -10.963 1.00 0.00 O ATOM 0 H GLU A 68 -2.477 8.949 -7.392 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.410 11.551 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.091 9.070 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.567 10.459 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.854 9.849 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.403 8.449 -9.012 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.312 10.192 -4.982 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.885 10.405 -3.647 1.00 0.00 C ATOM 1077 C VAL A 69 -3.848 10.997 -2.663 1.00 0.00 C ATOM 1078 O VAL A 69 -4.214 11.518 -1.629 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.541 9.086 -3.090 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.541 8.500 -4.124 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.497 8.023 -2.683 1.00 0.00 C ATOM 0 H VAL A 69 -3.994 9.236 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.679 11.145 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.080 9.360 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.986 7.589 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.326 9.229 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.014 8.270 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.008 7.137 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.895 7.754 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.851 8.427 -1.904 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.545 10.878 -2.974 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.451 11.336 -2.088 1.00 0.00 C ATOM 1093 C ALA A 70 -1.326 12.856 -2.093 1.00 0.00 C ATOM 1094 O ALA A 70 -1.098 13.471 -1.054 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.124 10.704 -2.497 1.00 0.00 C ATOM 0 H ALA A 70 -2.217 10.462 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.699 11.018 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.666 11.054 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.201 9.619 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.113 10.987 -3.523 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.443 13.439 -3.291 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.414 14.900 -3.472 1.00 0.00 C ATOM 1103 C ARG A 71 -2.693 15.551 -2.883 1.00 0.00 C ATOM 1104 O ARG A 71 -2.628 16.625 -2.273 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.259 15.244 -4.983 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.423 14.747 -5.862 1.00 0.00 C ATOM 1107 CD ARG A 71 -2.332 15.168 -7.335 1.00 0.00 C ATOM 1108 NE ARG A 71 -3.616 14.939 -8.028 1.00 0.00 N ATOM 1109 CZ ARG A 71 -4.019 15.553 -9.155 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -3.218 16.393 -9.802 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -5.230 15.309 -9.630 1.00 0.00 N ATOM 0 H ARG A 71 -1.560 12.918 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.557 15.305 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.171 16.325 -5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.329 14.810 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.462 13.659 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.360 15.120 -5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.062 16.222 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.541 14.605 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.252 14.256 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.281 16.581 -9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.540 16.850 -10.655 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.848 14.661 -9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.545 15.769 -10.484 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.845 14.860 -3.047 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.173 15.400 -2.684 1.00 0.00 C ATOM 1127 C GLU A 72 -5.549 15.091 -1.217 1.00 0.00 C ATOM 1128 O GLU A 72 -5.852 16.003 -0.453 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.235 14.824 -3.669 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.059 15.302 -5.132 1.00 0.00 C ATOM 1131 CD GLU A 72 -6.975 14.597 -6.139 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -8.207 14.634 -5.959 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -6.478 14.020 -7.135 1.00 0.00 O ATOM 0 H GLU A 72 -3.879 13.917 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.142 16.486 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.186 13.735 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.229 15.106 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.247 16.375 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.022 15.147 -5.431 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.526 13.807 -0.842 1.00 0.00 N ATOM 1141 CA GLU A 73 -5.967 13.332 0.497 1.00 0.00 C ATOM 1142 C GLU A 73 -4.820 13.348 1.511 1.00 0.00 C ATOM 1143 O GLU A 73 -5.016 13.750 2.666 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.586 11.905 0.379 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.677 11.786 -0.711 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.827 12.797 -0.539 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.796 12.500 0.184 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.757 13.908 -1.111 1.00 0.00 O ATOM 0 H GLU A 73 -5.202 13.057 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.729 14.019 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.791 11.191 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.015 11.624 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.220 11.930 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.086 10.776 -0.696 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.624 12.907 1.082 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.429 12.961 1.930 1.00 0.00 C ATOM 1157 C GLY A 74 -1.728 14.310 1.831 1.00 0.00 C ATOM 1158 O GLY A 74 -2.336 15.303 1.414 1.00 0.00 O ATOM 0 H GLY A 74 -3.464 12.511 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.709 12.772 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.739 12.170 1.637 1.00 0.00 H new ATOM 1162 N THR A 75 -0.451 14.366 2.234 1.00 0.00 N ATOM 1163 CA THR A 75 0.387 15.570 2.052 1.00 0.00 C ATOM 1164 C THR A 75 1.435 15.319 0.956 1.00 0.00 C ATOM 1165 O THR A 75 1.455 14.244 0.336 1.00 0.00 O ATOM 1166 CB THR A 75 1.090 15.981 3.381 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.975 14.944 3.825 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.080 16.307 4.487 1.00 0.00 C ATOM 0 H THR A 75 0.030 13.591 2.690 1.00 0.00 H new ATOM 0 HA THR A 75 -0.263 16.391 1.750 1.00 0.00 H new ATOM 0 HB THR A 75 1.664 16.884 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.525 14.077 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.613 16.588 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.555 17.134 4.168 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.538 15.431 4.685 1.00 0.00 H new ATOM 1176 N GLN A 76 2.308 16.319 0.711 1.00 0.00 N ATOM 1177 CA GLN A 76 3.407 16.205 -0.267 1.00 0.00 C ATOM 1178 C GLN A 76 4.419 15.126 0.163 1.00 0.00 C ATOM 1179 O GLN A 76 5.083 14.534 -0.689 1.00 0.00 O ATOM 1180 CB GLN A 76 4.107 17.575 -0.446 1.00 0.00 C ATOM 1181 CG GLN A 76 5.151 17.633 -1.583 1.00 0.00 C ATOM 1182 CD GLN A 76 5.811 19.007 -1.745 1.00 0.00 C ATOM 1183 OE1 GLN A 76 6.858 19.284 -1.169 1.00 0.00 O ATOM 1184 NE2 GLN A 76 5.189 19.889 -2.512 1.00 0.00 N ATOM 0 H GLN A 76 2.270 17.222 1.183 1.00 0.00 H new ATOM 0 HA GLN A 76 2.985 15.902 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.346 18.333 -0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.597 17.840 0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.924 16.889 -1.392 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.669 17.359 -2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.319 19.634 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.579 20.823 -2.635 1.00 0.00 H new ATOM 1193 N LYS A 77 4.513 14.873 1.492 1.00 0.00 N ATOM 1194 CA LYS A 77 5.368 13.808 2.043 1.00 0.00 C ATOM 1195 C LYS A 77 4.893 12.435 1.532 1.00 0.00 C ATOM 1196 O LYS A 77 5.681 11.684 0.962 1.00 0.00 O ATOM 1197 CB LYS A 77 5.368 13.836 3.595 1.00 0.00 C ATOM 1198 CG LYS A 77 6.190 12.691 4.233 1.00 0.00 C ATOM 1199 CD LYS A 77 6.218 12.736 5.774 1.00 0.00 C ATOM 1200 CE LYS A 77 6.933 11.516 6.379 1.00 0.00 C ATOM 1201 NZ LYS A 77 8.326 11.375 5.881 1.00 0.00 N ATOM 0 H LYS A 77 4.001 15.399 2.200 1.00 0.00 H new ATOM 0 HA LYS A 77 6.390 13.981 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.768 14.792 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.340 13.777 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.775 11.735 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.212 12.736 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.720 13.647 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.197 12.781 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.945 11.606 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.371 10.613 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.800 10.602 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.311 11.161 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.843 12.263 6.040 1.00 0.00 H new ATOM 1215 N ASP A 78 3.575 12.177 1.683 1.00 0.00 N ATOM 1216 CA ASP A 78 2.917 10.924 1.228 1.00 0.00 C ATOM 1217 C ASP A 78 3.161 10.717 -0.274 1.00 0.00 C ATOM 1218 O ASP A 78 3.504 9.618 -0.723 1.00 0.00 O ATOM 1219 CB ASP A 78 1.382 10.977 1.488 1.00 0.00 C ATOM 1220 CG ASP A 78 1.005 11.127 2.968 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.290 12.188 3.552 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.418 10.203 3.562 1.00 0.00 O ATOM 0 H ASP A 78 2.931 12.833 2.126 1.00 0.00 H new ATOM 0 HA ASP A 78 3.346 10.095 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.958 11.811 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.926 10.067 1.098 1.00 0.00 H new ATOM 1227 N LEU A 79 2.997 11.824 -1.021 1.00 0.00 N ATOM 1228 CA LEU A 79 3.206 11.887 -2.471 1.00 0.00 C ATOM 1229 C LEU A 79 4.641 11.474 -2.850 1.00 0.00 C ATOM 1230 O LEU A 79 4.836 10.612 -3.710 1.00 0.00 O ATOM 1231 CB LEU A 79 2.870 13.324 -2.963 1.00 0.00 C ATOM 1232 CG LEU A 79 2.968 13.591 -4.497 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.069 12.624 -5.290 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.614 15.061 -4.817 1.00 0.00 C ATOM 0 H LEU A 79 2.709 12.717 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 79 2.542 11.177 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.856 13.563 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.537 14.020 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 79 3.998 13.412 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.159 12.835 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.379 11.597 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.032 12.755 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.688 15.227 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.597 15.270 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.307 15.723 -4.299 1.00 0.00 H new ATOM 1246 N SER A 80 5.627 12.063 -2.153 1.00 0.00 N ATOM 1247 CA SER A 80 7.056 11.815 -2.405 1.00 0.00 C ATOM 1248 C SER A 80 7.449 10.356 -2.105 1.00 0.00 C ATOM 1249 O SER A 80 8.263 9.783 -2.820 1.00 0.00 O ATOM 1250 CB SER A 80 7.922 12.779 -1.566 1.00 0.00 C ATOM 1251 OG SER A 80 7.609 14.132 -1.856 1.00 0.00 O ATOM 0 H SER A 80 5.455 12.726 -1.397 1.00 0.00 H new ATOM 0 HA SER A 80 7.236 11.995 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.763 12.585 -0.505 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.977 12.595 -1.769 1.00 0.00 H new ATOM 0 HG SER A 80 6.739 14.357 -1.466 1.00 0.00 H new ATOM 1257 N GLU A 81 6.850 9.771 -1.049 1.00 0.00 N ATOM 1258 CA GLU A 81 7.161 8.400 -0.594 1.00 0.00 C ATOM 1259 C GLU A 81 6.647 7.343 -1.589 1.00 0.00 C ATOM 1260 O GLU A 81 7.299 6.315 -1.787 1.00 0.00 O ATOM 1261 CB GLU A 81 6.584 8.172 0.830 1.00 0.00 C ATOM 1262 CG GLU A 81 7.195 9.108 1.898 1.00 0.00 C ATOM 1263 CD GLU A 81 6.600 8.935 3.304 1.00 0.00 C ATOM 1264 OE1 GLU A 81 5.403 9.239 3.494 1.00 0.00 O ATOM 1265 OE2 GLU A 81 7.322 8.491 4.231 1.00 0.00 O ATOM 0 H GLU A 81 6.137 10.235 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 81 8.244 8.288 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.504 8.319 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.758 7.137 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.270 8.932 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.055 10.142 1.581 1.00 0.00 H new ATOM 1272 N LEU A 82 5.491 7.611 -2.219 1.00 0.00 N ATOM 1273 CA LEU A 82 4.903 6.708 -3.236 1.00 0.00 C ATOM 1274 C LEU A 82 5.671 6.772 -4.569 1.00 0.00 C ATOM 1275 O LEU A 82 5.866 5.748 -5.234 1.00 0.00 O ATOM 1276 CB LEU A 82 3.410 7.048 -3.448 1.00 0.00 C ATOM 1277 CG LEU A 82 2.502 6.889 -2.185 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.056 7.301 -2.473 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.551 5.455 -1.634 1.00 0.00 C ATOM 0 H LEU A 82 4.938 8.450 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 82 4.985 5.686 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.335 8.076 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.018 6.409 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 82 2.899 7.561 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.456 7.177 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.030 8.345 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.651 6.675 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.909 5.380 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.204 4.760 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.575 5.207 -1.356 1.00 0.00 H new ATOM 1291 N GLN A 83 6.100 7.995 -4.936 1.00 0.00 N ATOM 1292 CA GLN A 83 6.891 8.250 -6.157 1.00 0.00 C ATOM 1293 C GLN A 83 8.288 7.617 -6.023 1.00 0.00 C ATOM 1294 O GLN A 83 8.808 7.017 -6.970 1.00 0.00 O ATOM 1295 CB GLN A 83 7.015 9.774 -6.402 1.00 0.00 C ATOM 1296 CG GLN A 83 5.682 10.471 -6.727 1.00 0.00 C ATOM 1297 CD GLN A 83 5.759 12.002 -6.800 1.00 0.00 C ATOM 1298 OE1 GLN A 83 5.039 12.629 -7.574 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.586 12.615 -5.967 1.00 0.00 N ATOM 0 H GLN A 83 5.908 8.837 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 83 6.382 7.799 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.449 10.239 -5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.710 9.943 -7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.314 10.094 -7.681 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.949 10.194 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.172 12.068 -5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.637 13.634 -5.957 1.00 0.00 H new ATOM 1308 N ASP A 84 8.862 7.759 -4.821 1.00 0.00 N ATOM 1309 CA ASP A 84 10.168 7.191 -4.451 1.00 0.00 C ATOM 1310 C ASP A 84 10.128 5.657 -4.512 1.00 0.00 C ATOM 1311 O ASP A 84 11.041 5.013 -5.054 1.00 0.00 O ATOM 1312 CB ASP A 84 10.528 7.665 -3.016 1.00 0.00 C ATOM 1313 CG ASP A 84 11.831 7.074 -2.447 1.00 0.00 C ATOM 1314 OD1 ASP A 84 11.779 6.003 -1.801 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.906 7.678 -2.634 1.00 0.00 O ATOM 0 H ASP A 84 8.424 8.282 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 84 10.927 7.533 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.609 8.752 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.707 7.408 -2.347 1.00 0.00 H new ATOM 1320 N ALA A 85 9.052 5.088 -3.942 1.00 0.00 N ATOM 1321 CA ALA A 85 8.865 3.645 -3.835 1.00 0.00 C ATOM 1322 C ALA A 85 8.712 2.963 -5.202 1.00 0.00 C ATOM 1323 O ALA A 85 9.314 1.910 -5.426 1.00 0.00 O ATOM 1324 CB ALA A 85 7.671 3.340 -2.926 1.00 0.00 C ATOM 0 H ALA A 85 8.285 5.628 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 85 9.769 3.229 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.537 2.261 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.854 3.753 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.771 3.789 -3.345 1.00 0.00 H new ATOM 1330 N LYS A 86 7.901 3.558 -6.101 1.00 0.00 N ATOM 1331 CA LYS A 86 7.690 3.003 -7.453 1.00 0.00 C ATOM 1332 C LYS A 86 8.966 3.052 -8.313 1.00 0.00 C ATOM 1333 O LYS A 86 9.254 2.084 -9.008 1.00 0.00 O ATOM 1334 CB LYS A 86 6.505 3.683 -8.193 1.00 0.00 C ATOM 1335 CG LYS A 86 6.656 5.195 -8.428 1.00 0.00 C ATOM 1336 CD LYS A 86 5.504 5.801 -9.260 1.00 0.00 C ATOM 1337 CE LYS A 86 5.425 5.224 -10.682 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.437 5.939 -11.519 1.00 0.00 N ATOM 0 H LYS A 86 7.384 4.418 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 86 7.431 1.955 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.372 3.194 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.594 3.511 -7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.705 5.702 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.601 5.384 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.559 5.621 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.634 6.882 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.407 5.283 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.159 4.168 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.417 5.517 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.495 5.862 -11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.704 6.942 -11.591 1.00 0.00 H new ATOM 1352 N LEU A 87 9.745 4.158 -8.263 1.00 0.00 N ATOM 1353 CA LEU A 87 10.934 4.295 -9.134 1.00 0.00 C ATOM 1354 C LEU A 87 12.037 3.302 -8.718 1.00 0.00 C ATOM 1355 O LEU A 87 12.762 2.783 -9.576 1.00 0.00 O ATOM 1356 CB LEU A 87 11.434 5.781 -9.213 1.00 0.00 C ATOM 1357 CG LEU A 87 11.984 6.472 -7.912 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.463 6.114 -7.616 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.814 8.006 -7.980 1.00 0.00 C ATOM 0 H LEU A 87 9.577 4.951 -7.644 1.00 0.00 H new ATOM 0 HA LEU A 87 10.643 4.031 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.221 5.823 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.607 6.387 -9.583 1.00 0.00 H new ATOM 0 HG LEU A 87 11.386 6.082 -7.089 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.785 6.621 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.557 5.036 -7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.088 6.433 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.203 8.456 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.362 8.395 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.757 8.251 -8.083 1.00 0.00 H new ATOM 1371 N LYS A 88 12.161 3.026 -7.397 1.00 0.00 N ATOM 1372 CA LYS A 88 13.120 2.018 -6.897 1.00 0.00 C ATOM 1373 C LYS A 88 12.612 0.589 -7.174 1.00 0.00 C ATOM 1374 O LYS A 88 13.417 -0.322 -7.395 1.00 0.00 O ATOM 1375 CB LYS A 88 13.488 2.258 -5.392 1.00 0.00 C ATOM 1376 CG LYS A 88 12.412 1.982 -4.303 1.00 0.00 C ATOM 1377 CD LYS A 88 12.363 0.499 -3.847 1.00 0.00 C ATOM 1378 CE LYS A 88 11.468 0.271 -2.621 1.00 0.00 C ATOM 1379 NZ LYS A 88 10.073 0.706 -2.841 1.00 0.00 N ATOM 0 H LYS A 88 11.614 3.483 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 88 14.052 2.133 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.356 1.640 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.801 3.297 -5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.611 2.614 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.434 2.268 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.002 -0.116 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.374 0.163 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.477 -0.788 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.882 0.811 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.858 1.512 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.951 0.992 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.426 -0.079 -2.625 1.00 0.00 H new ATOM 1393 N ALA A 89 11.272 0.392 -7.122 1.00 0.00 N ATOM 1394 CA ALA A 89 10.629 -0.876 -7.512 1.00 0.00 C ATOM 1395 C ALA A 89 10.841 -1.206 -8.999 1.00 0.00 C ATOM 1396 O ALA A 89 10.965 -2.373 -9.355 1.00 0.00 O ATOM 1397 CB ALA A 89 9.136 -0.856 -7.179 1.00 0.00 C ATOM 0 H ALA A 89 10.614 1.106 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 89 11.110 -1.664 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.684 -1.802 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.004 -0.712 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.654 -0.039 -7.717 1.00 0.00 H new ATOM 1403 N GLU A 90 10.893 -0.167 -9.859 1.00 0.00 N ATOM 1404 CA GLU A 90 11.276 -0.323 -11.277 1.00 0.00 C ATOM 1405 C GLU A 90 12.687 -0.932 -11.368 1.00 0.00 C ATOM 1406 O GLU A 90 12.942 -1.777 -12.216 1.00 0.00 O ATOM 1407 CB GLU A 90 11.201 1.040 -12.022 1.00 0.00 C ATOM 1408 CG GLU A 90 9.767 1.604 -12.201 1.00 0.00 C ATOM 1409 CD GLU A 90 8.947 0.901 -13.304 1.00 0.00 C ATOM 1410 OE1 GLU A 90 8.480 -0.244 -13.104 1.00 0.00 O ATOM 1411 OE2 GLU A 90 8.774 1.495 -14.392 1.00 0.00 O ATOM 0 H GLU A 90 10.673 0.793 -9.594 1.00 0.00 H new ATOM 0 HA GLU A 90 10.573 -1.000 -11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 90 11.798 1.770 -11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.657 0.926 -13.005 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.233 1.517 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.832 2.667 -12.433 1.00 0.00 H new ATOM 1418 N GLY A 91 13.556 -0.550 -10.411 1.00 0.00 N ATOM 1419 CA GLY A 91 14.911 -1.094 -10.304 1.00 0.00 C ATOM 1420 C GLY A 91 14.983 -2.561 -9.869 1.00 0.00 C ATOM 1421 O GLY A 91 16.056 -3.147 -9.922 1.00 0.00 O ATOM 0 H GLY A 91 13.333 0.142 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.406 -0.992 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.474 -0.491 -9.592 1.00 0.00 H new ATOM 1425 N LEU A 92 13.853 -3.151 -9.419 1.00 0.00 N ATOM 1426 CA LEU A 92 13.783 -4.595 -9.091 1.00 0.00 C ATOM 1427 C LEU A 92 13.939 -5.430 -10.377 1.00 0.00 C ATOM 1428 O LEU A 92 14.953 -6.098 -10.579 1.00 0.00 O ATOM 1429 CB LEU A 92 12.445 -4.945 -8.369 1.00 0.00 C ATOM 1430 CG LEU A 92 12.260 -4.355 -6.930 1.00 0.00 C ATOM 1431 CD1 LEU A 92 10.827 -4.591 -6.398 1.00 0.00 C ATOM 1432 CD2 LEU A 92 13.305 -4.938 -5.958 1.00 0.00 C ATOM 0 H LEU A 92 12.976 -2.650 -9.274 1.00 0.00 H new ATOM 0 HA LEU A 92 14.599 -4.834 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.620 -4.598 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.363 -6.030 -8.307 1.00 0.00 H new ATOM 0 HG LEU A 92 12.415 -3.278 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.736 -4.168 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.109 -4.110 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.625 -5.661 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.156 -4.513 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.192 -6.021 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.307 -4.693 -6.311 1.00 0.00 H new ATOM 1444 N GLU A 93 12.927 -5.351 -11.250 1.00 0.00 N ATOM 1445 CA GLU A 93 12.902 -6.095 -12.526 1.00 0.00 C ATOM 1446 C GLU A 93 13.868 -5.458 -13.549 1.00 0.00 C ATOM 1447 O GLU A 93 14.745 -6.135 -14.104 1.00 0.00 O ATOM 1448 CB GLU A 93 11.448 -6.188 -13.074 1.00 0.00 C ATOM 1449 CG GLU A 93 10.687 -4.851 -13.147 1.00 0.00 C ATOM 1450 CD GLU A 93 9.286 -4.997 -13.746 1.00 0.00 C ATOM 1451 OE1 GLU A 93 8.377 -5.455 -13.035 1.00 0.00 O ATOM 1452 OE2 GLU A 93 9.091 -4.666 -14.930 1.00 0.00 O ATOM 0 H GLU A 93 12.101 -4.772 -11.097 1.00 0.00 H new ATOM 0 HA GLU A 93 13.249 -7.113 -12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.480 -6.624 -14.072 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.883 -6.875 -12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.607 -4.429 -12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.261 -4.144 -13.746 1.00 0.00 H new ATOM 1459 N HIS A 94 13.727 -4.140 -13.750 1.00 0.00 N ATOM 1460 CA HIS A 94 14.587 -3.341 -14.635 1.00 0.00 C ATOM 1461 C HIS A 94 15.807 -2.889 -13.805 1.00 0.00 C ATOM 1462 O HIS A 94 15.939 -1.727 -13.426 1.00 0.00 O ATOM 1463 CB HIS A 94 13.764 -2.148 -15.217 1.00 0.00 C ATOM 1464 CG HIS A 94 14.473 -1.244 -16.201 1.00 0.00 C ATOM 1465 ND1 HIS A 94 14.370 -1.390 -17.563 1.00 0.00 N ATOM 1466 CD2 HIS A 94 15.280 -0.168 -16.012 1.00 0.00 C ATOM 1467 CE1 HIS A 94 15.054 -0.442 -18.161 1.00 0.00 C ATOM 1468 NE2 HIS A 94 15.619 0.312 -17.244 1.00 0.00 N ATOM 0 H HIS A 94 12.999 -3.590 -13.294 1.00 0.00 H new ATOM 0 HA HIS A 94 14.945 -3.913 -15.491 1.00 0.00 H new ATOM 0 HB2 HIS A 94 12.878 -2.553 -15.706 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.417 -1.537 -14.384 1.00 0.00 H new ATOM 0 HD2 HIS A 94 15.596 0.234 -15.061 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.138 -0.304 -19.229 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.213 1.122 -17.424 1.00 0.00 H new ATOM 1477 N HIS A 95 16.665 -3.860 -13.454 1.00 0.00 N ATOM 1478 CA HIS A 95 17.877 -3.612 -12.648 1.00 0.00 C ATOM 1479 C HIS A 95 19.084 -3.333 -13.555 1.00 0.00 C ATOM 1480 O HIS A 95 19.032 -3.591 -14.762 1.00 0.00 O ATOM 1481 CB HIS A 95 18.148 -4.796 -11.679 1.00 0.00 C ATOM 1482 CG HIS A 95 18.254 -6.153 -12.314 1.00 0.00 C ATOM 1483 ND1 HIS A 95 17.176 -6.997 -12.467 1.00 0.00 N ATOM 1484 CD2 HIS A 95 19.323 -6.827 -12.788 1.00 0.00 C ATOM 1485 CE1 HIS A 95 17.584 -8.128 -13.003 1.00 0.00 C ATOM 1486 NE2 HIS A 95 18.880 -8.049 -13.206 1.00 0.00 N ATOM 0 H HIS A 95 16.541 -4.837 -13.719 1.00 0.00 H new ATOM 0 HA HIS A 95 17.711 -2.723 -12.039 1.00 0.00 H new ATOM 0 HB2 HIS A 95 19.074 -4.595 -11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 95 17.349 -4.824 -10.938 1.00 0.00 H new ATOM 0 HD1 HIS A 95 16.214 -6.780 -12.206 1.00 0.00 H new ATOM 0 HD2 HIS A 95 20.340 -6.467 -12.829 1.00 0.00 H new ATOM 0 HE1 HIS A 95 16.959 -8.977 -13.236 1.00 0.00 H new ATOM 1495 N HIS A 96 20.167 -2.812 -12.949 1.00 0.00 N ATOM 1496 CA HIS A 96 21.400 -2.433 -13.659 1.00 0.00 C ATOM 1497 C HIS A 96 22.063 -3.665 -14.310 1.00 0.00 C ATOM 1498 O HIS A 96 22.600 -4.537 -13.616 1.00 0.00 O ATOM 1499 CB HIS A 96 22.384 -1.737 -12.689 1.00 0.00 C ATOM 1500 CG HIS A 96 21.844 -0.481 -12.057 1.00 0.00 C ATOM 1501 ND1 HIS A 96 21.684 -0.329 -10.699 1.00 0.00 N ATOM 1502 CD2 HIS A 96 21.443 0.691 -12.608 1.00 0.00 C ATOM 1503 CE1 HIS A 96 21.215 0.869 -10.445 1.00 0.00 C ATOM 1504 NE2 HIS A 96 21.055 1.513 -11.578 1.00 0.00 N ATOM 0 H HIS A 96 20.210 -2.641 -11.944 1.00 0.00 H new ATOM 0 HA HIS A 96 21.136 -1.734 -14.452 1.00 0.00 H new ATOM 0 HB2 HIS A 96 22.657 -2.439 -11.901 1.00 0.00 H new ATOM 0 HB3 HIS A 96 23.299 -1.494 -13.230 1.00 0.00 H new ATOM 0 HD2 HIS A 96 21.431 0.933 -13.660 1.00 0.00 H new ATOM 0 HE1 HIS A 96 20.996 1.262 -9.463 1.00 0.00 H new ATOM 0 HE2 HIS A 96 20.702 2.465 -11.677 1.00 0.00 H new ATOM 1513 N HIS A 97 21.975 -3.732 -15.646 1.00 0.00 N ATOM 1514 CA HIS A 97 22.541 -4.829 -16.449 1.00 0.00 C ATOM 1515 C HIS A 97 23.906 -4.394 -16.999 1.00 0.00 C ATOM 1516 O HIS A 97 23.976 -3.497 -17.843 1.00 0.00 O ATOM 1517 CB HIS A 97 21.574 -5.202 -17.605 1.00 0.00 C ATOM 1518 CG HIS A 97 20.229 -5.686 -17.131 1.00 0.00 C ATOM 1519 ND1 HIS A 97 19.044 -5.060 -17.441 1.00 0.00 N ATOM 1520 CD2 HIS A 97 19.892 -6.757 -16.372 1.00 0.00 C ATOM 1521 CE1 HIS A 97 18.046 -5.714 -16.886 1.00 0.00 C ATOM 1522 NE2 HIS A 97 18.529 -6.750 -16.233 1.00 0.00 N ATOM 0 H HIS A 97 21.505 -3.021 -16.206 1.00 0.00 H new ATOM 0 HA HIS A 97 22.673 -5.712 -15.824 1.00 0.00 H new ATOM 0 HB2 HIS A 97 21.433 -4.331 -18.245 1.00 0.00 H new ATOM 0 HB3 HIS A 97 22.035 -5.977 -18.218 1.00 0.00 H new ATOM 0 HD2 HIS A 97 20.573 -7.483 -15.953 1.00 0.00 H new ATOM 0 HE1 HIS A 97 17.002 -5.445 -16.955 1.00 0.00 H new ATOM 0 HE2 HIS A 97 17.980 -7.433 -15.711 1.00 0.00 H new ATOM 1531 N HIS A 98 24.981 -5.020 -16.496 1.00 0.00 N ATOM 1532 CA HIS A 98 26.371 -4.666 -16.850 1.00 0.00 C ATOM 1533 C HIS A 98 27.316 -5.847 -16.568 1.00 0.00 C ATOM 1534 O HIS A 98 26.930 -6.815 -15.905 1.00 0.00 O ATOM 1535 CB HIS A 98 26.831 -3.408 -16.051 1.00 0.00 C ATOM 1536 CG HIS A 98 26.876 -3.588 -14.546 1.00 0.00 C ATOM 1537 ND1 HIS A 98 28.016 -3.960 -13.861 1.00 0.00 N ATOM 1538 CD2 HIS A 98 25.917 -3.431 -13.600 1.00 0.00 C ATOM 1539 CE1 HIS A 98 27.754 -4.027 -12.575 1.00 0.00 C ATOM 1540 NE2 HIS A 98 26.491 -3.709 -12.387 1.00 0.00 N ATOM 0 H HIS A 98 24.914 -5.789 -15.830 1.00 0.00 H new ATOM 0 HA HIS A 98 26.407 -4.438 -17.915 1.00 0.00 H new ATOM 0 HB2 HIS A 98 27.823 -3.118 -16.397 1.00 0.00 H new ATOM 0 HB3 HIS A 98 26.159 -2.582 -16.283 1.00 0.00 H new ATOM 0 HD1 HIS A 98 28.922 -4.153 -14.288 1.00 0.00 H new ATOM 0 HD2 HIS A 98 24.891 -3.141 -13.771 1.00 0.00 H new ATOM 0 HE1 HIS A 98 28.458 -4.298 -11.802 1.00 0.00 H new ATOM 1549 N HIS A 99 28.553 -5.753 -17.081 1.00 0.00 N ATOM 1550 CA HIS A 99 29.646 -6.678 -16.735 1.00 0.00 C ATOM 1551 C HIS A 99 30.602 -5.965 -15.743 1.00 0.00 C ATOM 1552 O HIS A 99 30.283 -5.927 -14.538 1.00 0.00 O ATOM 1553 CB HIS A 99 30.379 -7.171 -18.024 1.00 0.00 C ATOM 1554 CG HIS A 99 29.632 -8.241 -18.782 1.00 0.00 C ATOM 1555 ND1 HIS A 99 28.636 -7.973 -19.700 1.00 0.00 N ATOM 1556 CD2 HIS A 99 29.754 -9.589 -18.755 1.00 0.00 C ATOM 1557 CE1 HIS A 99 28.178 -9.108 -20.192 1.00 0.00 C ATOM 1558 NE2 HIS A 99 28.840 -10.098 -19.634 1.00 0.00 N ATOM 1559 OXT HIS A 99 31.633 -5.404 -16.166 1.00 0.00 O ATOM 0 H HIS A 99 28.825 -5.032 -17.749 1.00 0.00 H new ATOM 0 HA HIS A 99 29.249 -7.570 -16.250 1.00 0.00 H new ATOM 0 HB2 HIS A 99 30.544 -6.320 -18.684 1.00 0.00 H new ATOM 0 HB3 HIS A 99 31.361 -7.554 -17.747 1.00 0.00 H new ATOM 0 HD2 HIS A 99 30.446 -10.157 -18.151 1.00 0.00 H new ATOM 0 HE1 HIS A 99 27.393 -9.207 -20.927 1.00 0.00 H new ATOM 0 HE2 HIS A 99 28.694 -11.089 -19.827 1.00 0.00 H new TER 1568 HIS A 99