USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 175:sc= -0.0104 (180deg=-0.066) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.36 (180deg=1.29) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.74 X(o=-0.74,f=-0.86) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= -24.6! (180deg=-27.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.31 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= 1.23 (180deg=-0.751) USER MOD Single : A 42 LYS NZ :NH3+ -145:sc= -1.38 (180deg=-4.02!) USER MOD Single : A 43 HIS : no HE2:sc= -1.87! C(o=-1.9!,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0643) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -5.16! C(o=-5.2!,f=-3.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -2.18 X(o=-2.2,f=-2.5) USER MOD Single : A 63 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.1) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 88:sc= -3.69! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -43:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.636 -3.425 3.130 1.00 0.00 N ATOM 2 CA MET A 1 16.859 -2.585 2.227 1.00 0.00 C ATOM 3 C MET A 1 16.643 -1.194 2.845 1.00 0.00 C ATOM 4 O MET A 1 16.577 -1.075 4.068 1.00 0.00 O ATOM 5 CB MET A 1 15.518 -3.257 1.940 1.00 0.00 C ATOM 6 CG MET A 1 15.590 -4.325 0.865 1.00 0.00 C ATOM 7 SD MET A 1 16.084 -5.932 1.516 1.00 0.00 S ATOM 8 CE MET A 1 17.500 -6.296 0.480 1.00 0.00 C ATOM 0 H1 MET A 1 17.731 -4.377 2.723 1.00 0.00 H new ATOM 0 H2 MET A 1 18.580 -3.010 3.264 1.00 0.00 H new ATOM 0 H3 MET A 1 17.152 -3.488 4.048 1.00 0.00 H new ATOM 0 HA MET A 1 17.404 -2.460 1.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.141 -3.704 2.860 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.798 -2.497 1.637 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.617 -4.416 0.383 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.298 -4.015 0.097 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.971 -7.219 0.819 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.174 -6.413 -0.553 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.217 -5.478 0.543 1.00 0.00 H new ATOM 18 N ASP A 2 16.522 -0.138 2.021 1.00 0.00 N ATOM 19 CA ASP A 2 16.306 1.203 2.563 1.00 0.00 C ATOM 20 C ASP A 2 15.227 1.895 1.767 1.00 0.00 C ATOM 21 O ASP A 2 15.431 2.244 0.611 1.00 0.00 O ATOM 22 CB ASP A 2 17.598 2.015 2.532 1.00 0.00 C ATOM 23 CG ASP A 2 17.670 3.031 3.655 1.00 0.00 C ATOM 24 OD1 ASP A 2 17.288 2.685 4.793 1.00 0.00 O ATOM 25 OD2 ASP A 2 18.106 4.172 3.396 1.00 0.00 O ATOM 0 H ASP A 2 16.569 -0.189 1.003 1.00 0.00 H new ATOM 0 HA ASP A 2 15.990 1.120 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 2 18.450 1.339 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.677 2.530 1.574 1.00 0.00 H new ATOM 30 N LEU A 3 14.071 2.084 2.350 1.00 0.00 N ATOM 31 CA LEU A 3 12.996 2.694 1.606 1.00 0.00 C ATOM 32 C LEU A 3 12.752 4.148 1.957 1.00 0.00 C ATOM 33 O LEU A 3 12.243 4.464 3.032 1.00 0.00 O ATOM 34 CB LEU A 3 11.715 1.889 1.825 1.00 0.00 C ATOM 35 CG LEU A 3 10.583 2.129 0.824 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.678 3.247 1.312 1.00 0.00 C ATOM 37 CD2 LEU A 3 11.131 2.444 -0.559 1.00 0.00 C ATOM 0 H LEU A 3 13.851 1.832 3.314 1.00 0.00 H new ATOM 0 HA LEU A 3 13.295 2.682 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.970 0.829 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.340 2.109 2.825 1.00 0.00 H new ATOM 0 HG LEU A 3 9.996 1.214 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.877 3.408 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.249 2.973 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.258 4.164 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.304 2.610 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.748 3.341 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.735 1.607 -0.911 1.00 0.00 H new ATOM 49 N ILE A 4 13.028 5.028 0.998 1.00 0.00 N ATOM 50 CA ILE A 4 12.728 6.444 1.190 1.00 0.00 C ATOM 51 C ILE A 4 11.485 6.738 0.384 1.00 0.00 C ATOM 52 O ILE A 4 11.465 6.595 -0.838 1.00 0.00 O ATOM 53 CB ILE A 4 13.844 7.403 0.753 1.00 0.00 C ATOM 54 CG1 ILE A 4 14.693 6.793 -0.363 1.00 0.00 C ATOM 55 CG2 ILE A 4 14.705 7.799 1.945 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.767 5.843 0.131 1.00 0.00 C ATOM 0 H ILE A 4 13.449 4.793 0.099 1.00 0.00 H new ATOM 0 HA ILE A 4 12.605 6.613 2.260 1.00 0.00 H new ATOM 0 HB ILE A 4 13.379 8.305 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 4 14.039 6.260 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 4 15.165 7.597 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.491 8.479 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.086 8.295 2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.156 6.907 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 4 16.326 5.452 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.445 6.376 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 4 15.303 5.017 0.670 1.00 0.00 H new ATOM 68 N ILE A 5 10.432 7.055 1.092 1.00 0.00 N ATOM 69 CA ILE A 5 9.139 7.269 0.491 1.00 0.00 C ATOM 70 C ILE A 5 8.657 8.734 0.445 1.00 0.00 C ATOM 71 O ILE A 5 8.818 9.489 1.405 1.00 0.00 O ATOM 72 CB ILE A 5 8.146 6.400 1.253 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.855 6.210 0.467 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.905 6.992 2.619 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.918 5.047 -0.490 1.00 0.00 C ATOM 0 H ILE A 5 10.446 7.173 2.105 1.00 0.00 H new ATOM 0 HA ILE A 5 9.219 6.995 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 5 8.569 5.404 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.031 6.057 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.637 7.121 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.195 6.371 3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.846 7.035 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.500 7.998 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.970 4.961 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.723 5.209 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.107 4.128 0.066 1.00 0.00 H new ATOM 87 N LYS A 6 8.000 9.089 -0.661 1.00 0.00 N ATOM 88 CA LYS A 6 7.398 10.409 -0.857 1.00 0.00 C ATOM 89 C LYS A 6 5.890 10.207 -1.076 1.00 0.00 C ATOM 90 O LYS A 6 5.339 10.517 -2.130 1.00 0.00 O ATOM 91 CB LYS A 6 8.034 11.126 -2.052 1.00 0.00 C ATOM 92 CG LYS A 6 8.743 12.418 -1.677 1.00 0.00 C ATOM 93 CD LYS A 6 9.350 13.096 -2.896 1.00 0.00 C ATOM 94 CE LYS A 6 10.779 13.545 -2.632 1.00 0.00 C ATOM 95 NZ LYS A 6 10.975 14.986 -2.950 1.00 0.00 N ATOM 0 H LYS A 6 7.870 8.461 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 6 7.570 11.036 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.747 10.455 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.260 11.346 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.037 13.095 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.527 12.206 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.334 12.408 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.743 13.957 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.028 13.367 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.465 12.945 -3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.961 15.253 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.762 15.152 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.339 15.561 -2.361 1.00 0.00 H new ATOM 109 N GLU A 7 5.268 9.620 -0.062 1.00 0.00 N ATOM 110 CA GLU A 7 3.841 9.258 -0.048 1.00 0.00 C ATOM 111 C GLU A 7 2.872 10.377 -0.406 1.00 0.00 C ATOM 112 O GLU A 7 3.084 11.544 -0.077 1.00 0.00 O ATOM 113 CB GLU A 7 3.500 8.715 1.308 1.00 0.00 C ATOM 114 CG GLU A 7 4.500 7.683 1.775 1.00 0.00 C ATOM 115 CD GLU A 7 4.768 7.877 3.252 1.00 0.00 C ATOM 116 OE1 GLU A 7 3.802 7.805 4.042 1.00 0.00 O ATOM 117 OE2 GLU A 7 5.921 8.159 3.623 1.00 0.00 O ATOM 0 H GLU A 7 5.749 9.372 0.803 1.00 0.00 H new ATOM 0 HA GLU A 7 3.715 8.517 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.462 9.534 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.506 8.269 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.116 6.679 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.427 7.777 1.210 1.00 0.00 H new ATOM 124 N LYS A 8 1.764 9.972 -1.036 1.00 0.00 N ATOM 125 CA LYS A 8 0.693 10.870 -1.401 1.00 0.00 C ATOM 126 C LYS A 8 -0.591 10.053 -1.339 1.00 0.00 C ATOM 127 O LYS A 8 -0.744 9.118 -2.101 1.00 0.00 O ATOM 128 CB LYS A 8 0.904 11.440 -2.807 1.00 0.00 C ATOM 129 CG LYS A 8 1.353 12.893 -2.814 1.00 0.00 C ATOM 130 CD LYS A 8 2.417 13.144 -3.871 1.00 0.00 C ATOM 131 CE LYS A 8 3.212 14.406 -3.576 1.00 0.00 C ATOM 132 NZ LYS A 8 4.671 14.210 -3.808 1.00 0.00 N ATOM 0 H LYS A 8 1.596 9.002 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 8 0.654 11.723 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.648 10.836 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.026 11.353 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.495 13.539 -3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.745 13.158 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.093 12.290 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.945 13.231 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.850 15.219 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.046 14.706 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.178 15.093 -3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.022 13.452 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.832 13.948 -4.802 1.00 0.00 H new ATOM 146 N ARG A 9 -1.486 10.338 -0.402 1.00 0.00 N ATOM 147 CA ARG A 9 -2.685 9.506 -0.269 1.00 0.00 C ATOM 148 C ARG A 9 -3.995 10.224 -0.547 1.00 0.00 C ATOM 149 O ARG A 9 -4.221 11.351 -0.107 1.00 0.00 O ATOM 150 CB ARG A 9 -2.734 8.896 1.134 1.00 0.00 C ATOM 151 CG ARG A 9 -2.699 9.932 2.245 1.00 0.00 C ATOM 152 CD ARG A 9 -3.540 9.500 3.435 1.00 0.00 C ATOM 153 NE ARG A 9 -3.668 10.565 4.428 1.00 0.00 N ATOM 154 CZ ARG A 9 -4.577 10.567 5.400 1.00 0.00 C ATOM 155 NH1 ARG A 9 -5.436 9.561 5.518 1.00 0.00 N ATOM 156 NH2 ARG A 9 -4.629 11.576 6.260 1.00 0.00 N ATOM 0 H ARG A 9 -1.415 11.111 0.259 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.594 8.739 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.642 8.300 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.891 8.215 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.669 10.090 2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.065 10.886 1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.531 9.204 3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.089 8.623 3.899 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.023 11.353 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.401 8.781 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.130 9.568 6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.972 12.352 6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.326 11.576 7.004 1.00 0.00 H new ATOM 170 N ASP A 10 -4.878 9.505 -1.239 1.00 0.00 N ATOM 171 CA ASP A 10 -6.211 9.991 -1.545 1.00 0.00 C ATOM 172 C ASP A 10 -7.225 8.950 -1.073 1.00 0.00 C ATOM 173 O ASP A 10 -7.273 7.804 -1.569 1.00 0.00 O ATOM 174 CB ASP A 10 -6.362 10.240 -3.049 1.00 0.00 C ATOM 175 CG ASP A 10 -6.207 11.703 -3.410 1.00 0.00 C ATOM 176 OD1 ASP A 10 -5.071 12.216 -3.331 1.00 0.00 O ATOM 177 OD2 ASP A 10 -7.220 12.337 -3.775 1.00 0.00 O ATOM 0 H ASP A 10 -4.684 8.571 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.384 10.937 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.617 9.655 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.341 9.889 -3.376 1.00 0.00 H new ATOM 182 N ASN A 11 -8.044 9.314 -0.106 1.00 0.00 N ATOM 183 CA ASN A 11 -8.993 8.349 0.373 1.00 0.00 C ATOM 184 C ASN A 11 -10.430 8.768 0.111 1.00 0.00 C ATOM 185 O ASN A 11 -10.939 9.707 0.722 1.00 0.00 O ATOM 186 CB ASN A 11 -8.795 8.154 1.878 1.00 0.00 C ATOM 187 CG ASN A 11 -8.799 9.468 2.636 1.00 0.00 C ATOM 188 OD1 ASN A 11 -9.827 9.891 3.163 1.00 0.00 O ATOM 189 ND2 ASN A 11 -7.644 10.121 2.691 1.00 0.00 N ATOM 0 H ASN A 11 -8.069 10.230 0.342 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.817 7.419 -0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.586 7.511 2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.851 7.639 2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.585 11.011 3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.816 9.732 2.239 1.00 0.00 H new ATOM 196 N PRO A 12 -11.122 8.029 -0.769 1.00 0.00 N ATOM 197 CA PRO A 12 -12.504 8.246 -1.090 1.00 0.00 C ATOM 198 C PRO A 12 -13.326 7.163 -0.393 1.00 0.00 C ATOM 199 O PRO A 12 -13.257 7.029 0.829 1.00 0.00 O ATOM 200 CB PRO A 12 -12.469 8.067 -2.607 1.00 0.00 C ATOM 201 CG PRO A 12 -11.450 6.983 -2.823 1.00 0.00 C ATOM 202 CD PRO A 12 -10.621 6.893 -1.552 1.00 0.00 C ATOM 0 HA PRO A 12 -12.940 9.197 -0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.445 7.780 -2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.183 8.990 -3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.938 6.031 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.818 7.213 -3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.771 5.945 -1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.554 6.979 -1.756 1.00 0.00 H new ATOM 210 N ILE A 13 -14.055 6.354 -1.151 1.00 0.00 N ATOM 211 CA ILE A 13 -14.809 5.266 -0.561 1.00 0.00 C ATOM 212 C ILE A 13 -13.870 4.151 -0.091 1.00 0.00 C ATOM 213 O ILE A 13 -14.127 3.492 0.915 1.00 0.00 O ATOM 214 CB ILE A 13 -15.844 4.667 -1.543 1.00 0.00 C ATOM 215 CG1 ILE A 13 -15.180 3.678 -2.519 1.00 0.00 C ATOM 216 CG2 ILE A 13 -16.576 5.771 -2.298 1.00 0.00 C ATOM 217 CD1 ILE A 13 -14.412 4.336 -3.649 1.00 0.00 C ATOM 0 H ILE A 13 -14.137 6.432 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.346 5.687 0.289 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.578 4.112 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.500 3.035 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.950 3.034 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.298 5.326 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -17.097 6.414 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.857 6.363 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.977 3.568 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.089 4.956 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.617 4.957 -3.236 1.00 0.00 H new ATOM 229 N LEU A 14 -12.814 3.901 -0.879 1.00 0.00 N ATOM 230 CA LEU A 14 -11.887 2.810 -0.583 1.00 0.00 C ATOM 231 C LEU A 14 -10.533 3.242 -0.021 1.00 0.00 C ATOM 232 O LEU A 14 -9.634 2.413 0.090 1.00 0.00 O ATOM 233 CB LEU A 14 -11.713 1.911 -1.821 1.00 0.00 C ATOM 234 CG LEU A 14 -10.579 2.273 -2.792 1.00 0.00 C ATOM 235 CD1 LEU A 14 -10.444 3.779 -2.957 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.265 1.655 -2.334 1.00 0.00 C ATOM 0 H LEU A 14 -12.586 4.436 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.350 2.246 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.552 0.889 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.650 1.916 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.832 1.860 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.632 3.998 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.376 4.187 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.227 4.233 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.474 1.922 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.013 2.029 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.366 0.570 -2.298 1.00 0.00 H new ATOM 248 N LYS A 15 -10.394 4.492 0.413 1.00 0.00 N ATOM 249 CA LYS A 15 -9.145 4.921 1.052 1.00 0.00 C ATOM 250 C LYS A 15 -7.885 4.495 0.272 1.00 0.00 C ATOM 251 O LYS A 15 -7.018 3.820 0.828 1.00 0.00 O ATOM 252 CB LYS A 15 -9.114 4.405 2.498 1.00 0.00 C ATOM 253 CG LYS A 15 -9.295 2.900 2.653 1.00 0.00 C ATOM 254 CD LYS A 15 -10.771 2.502 2.598 1.00 0.00 C ATOM 255 CE LYS A 15 -11.268 2.010 3.948 1.00 0.00 C ATOM 256 NZ LYS A 15 -11.468 3.129 4.909 1.00 0.00 N ATOM 0 H LYS A 15 -11.111 5.214 0.339 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.128 6.011 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.163 4.689 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.897 4.909 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.749 2.384 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.865 2.577 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.367 3.357 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.910 1.720 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.208 1.474 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.552 1.300 4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.807 2.751 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.566 3.626 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.171 3.794 4.527 1.00 0.00 H new ATOM 270 N ARG A 16 -7.792 4.848 -1.022 1.00 0.00 N ATOM 271 CA ARG A 16 -6.639 4.438 -1.836 1.00 0.00 C ATOM 272 C ARG A 16 -5.560 5.506 -1.863 1.00 0.00 C ATOM 273 O ARG A 16 -5.851 6.686 -2.009 1.00 0.00 O ATOM 274 CB ARG A 16 -7.080 4.128 -3.268 1.00 0.00 C ATOM 275 CG ARG A 16 -6.087 3.274 -4.039 1.00 0.00 C ATOM 276 CD ARG A 16 -6.554 1.831 -4.142 1.00 0.00 C ATOM 277 NE ARG A 16 -5.640 1.010 -4.935 1.00 0.00 N ATOM 278 CZ ARG A 16 -5.668 0.941 -6.265 1.00 0.00 C ATOM 279 NH1 ARG A 16 -6.548 1.653 -6.957 1.00 0.00 N ATOM 280 NH2 ARG A 16 -4.811 0.158 -6.903 1.00 0.00 N ATOM 0 H ARG A 16 -8.488 5.406 -1.517 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.223 3.542 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.042 3.616 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.233 5.065 -3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.951 3.686 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.116 3.309 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.645 1.408 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.547 1.803 -4.591 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.940 0.457 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.209 2.259 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.563 1.595 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.132 -0.391 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.831 0.104 -7.921 1.00 0.00 H new ATOM 294 N LYS A 17 -4.304 5.099 -1.723 1.00 0.00 N ATOM 295 CA LYS A 17 -3.221 6.081 -1.733 1.00 0.00 C ATOM 296 C LYS A 17 -2.155 5.776 -2.795 1.00 0.00 C ATOM 297 O LYS A 17 -2.042 4.634 -3.276 1.00 0.00 O ATOM 298 CB LYS A 17 -2.622 6.203 -0.331 1.00 0.00 C ATOM 299 CG LYS A 17 -1.892 4.961 0.154 1.00 0.00 C ATOM 300 CD LYS A 17 -0.428 4.979 -0.250 1.00 0.00 C ATOM 301 CE LYS A 17 -0.222 4.272 -1.581 1.00 0.00 C ATOM 302 NZ LYS A 17 0.790 3.201 -1.519 1.00 0.00 N ATOM 0 H LYS A 17 -4.013 4.129 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.642 7.046 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.929 7.044 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.421 6.437 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.970 4.893 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.372 4.073 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.080 6.009 -0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.172 4.494 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.171 3.848 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.078 5.004 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.193 3.049 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.546 3.476 -0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.345 2.322 -1.187 1.00 0.00 H new ATOM 316 N GLU A 18 -1.376 6.821 -3.148 1.00 0.00 N ATOM 317 CA GLU A 18 -0.294 6.739 -4.138 1.00 0.00 C ATOM 318 C GLU A 18 0.979 7.367 -3.555 1.00 0.00 C ATOM 319 O GLU A 18 0.974 8.517 -3.129 1.00 0.00 O ATOM 320 CB GLU A 18 -0.686 7.454 -5.436 1.00 0.00 C ATOM 321 CG GLU A 18 -2.184 7.507 -5.684 1.00 0.00 C ATOM 322 CD GLU A 18 -2.542 7.297 -7.143 1.00 0.00 C ATOM 323 OE1 GLU A 18 -2.513 8.282 -7.909 1.00 0.00 O ATOM 324 OE2 GLU A 18 -2.855 6.147 -7.518 1.00 0.00 O ATOM 0 H GLU A 18 -1.486 7.752 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.111 5.690 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.296 8.472 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.207 6.950 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.676 6.745 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.569 8.472 -5.355 1.00 0.00 H new ATOM 331 N ILE A 19 2.048 6.597 -3.498 1.00 0.00 N ATOM 332 CA ILE A 19 3.312 7.052 -2.909 1.00 0.00 C ATOM 333 C ILE A 19 4.523 6.774 -3.774 1.00 0.00 C ATOM 334 O ILE A 19 4.556 5.828 -4.561 1.00 0.00 O ATOM 335 CB ILE A 19 3.606 6.440 -1.542 1.00 0.00 C ATOM 336 CG1 ILE A 19 4.182 5.069 -1.763 1.00 0.00 C ATOM 337 CG2 ILE A 19 2.347 6.380 -0.689 1.00 0.00 C ATOM 338 CD1 ILE A 19 3.185 4.165 -2.392 1.00 0.00 C ATOM 0 H ILE A 19 2.075 5.642 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 19 3.155 8.127 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 19 4.322 7.059 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.065 5.140 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.508 4.650 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.584 5.940 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.957 7.388 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.596 5.769 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.629 3.181 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.314 4.076 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.880 4.574 -3.355 1.00 0.00 H new ATOM 350 N LYS A 20 5.523 7.601 -3.580 1.00 0.00 N ATOM 351 CA LYS A 20 6.791 7.473 -4.295 1.00 0.00 C ATOM 352 C LYS A 20 7.761 6.707 -3.425 1.00 0.00 C ATOM 353 O LYS A 20 7.914 7.000 -2.251 1.00 0.00 O ATOM 354 CB LYS A 20 7.335 8.853 -4.560 1.00 0.00 C ATOM 355 CG LYS A 20 6.217 9.838 -4.699 1.00 0.00 C ATOM 356 CD LYS A 20 5.639 9.725 -6.091 1.00 0.00 C ATOM 357 CE LYS A 20 4.868 10.973 -6.491 1.00 0.00 C ATOM 358 NZ LYS A 20 5.712 11.924 -7.266 1.00 0.00 N ATOM 0 H LYS A 20 5.491 8.383 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 20 6.648 6.946 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.993 9.154 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.936 8.845 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.446 9.642 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.581 10.850 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.444 9.552 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.978 8.859 -6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.001 10.688 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.491 11.469 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.149 12.761 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.526 12.216 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.051 11.460 -8.133 1.00 0.00 H new ATOM 372 N TYR A 21 8.355 5.667 -3.971 1.00 0.00 N ATOM 373 CA TYR A 21 9.239 4.836 -3.148 1.00 0.00 C ATOM 374 C TYR A 21 10.532 4.348 -3.815 1.00 0.00 C ATOM 375 O TYR A 21 10.518 3.863 -4.944 1.00 0.00 O ATOM 376 CB TYR A 21 8.435 3.629 -2.644 1.00 0.00 C ATOM 377 CG TYR A 21 8.468 2.425 -3.565 1.00 0.00 C ATOM 378 CD1 TYR A 21 8.136 2.547 -4.909 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.825 1.170 -3.090 1.00 0.00 C ATOM 380 CE1 TYR A 21 8.160 1.453 -5.753 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.853 0.069 -3.927 1.00 0.00 C ATOM 382 CZ TYR A 21 8.520 0.217 -5.256 1.00 0.00 C ATOM 383 OH TYR A 21 8.546 -0.874 -6.095 1.00 0.00 O ATOM 0 H TYR A 21 8.255 5.375 -4.943 1.00 0.00 H new ATOM 0 HA TYR A 21 9.582 5.485 -2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.819 3.335 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.398 3.933 -2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.854 3.513 -5.301 1.00 0.00 H new ATOM 0 HD2 TYR A 21 9.085 1.051 -2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.899 1.565 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.134 -0.900 -3.542 1.00 0.00 H new ATOM 0 HH TYR A 21 8.821 -1.668 -5.591 1.00 0.00 H new ATOM 393 N VAL A 22 11.624 4.374 -3.034 1.00 0.00 N ATOM 394 CA VAL A 22 12.918 3.822 -3.465 1.00 0.00 C ATOM 395 C VAL A 22 13.458 2.951 -2.339 1.00 0.00 C ATOM 396 O VAL A 22 13.610 3.411 -1.210 1.00 0.00 O ATOM 397 CB VAL A 22 14.009 4.868 -3.878 1.00 0.00 C ATOM 398 CG1 VAL A 22 15.184 4.894 -2.901 1.00 0.00 C ATOM 399 CG2 VAL A 22 14.558 4.543 -5.262 1.00 0.00 C ATOM 0 H VAL A 22 11.636 4.774 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 22 12.714 3.263 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 22 13.521 5.843 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.914 5.634 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.824 5.156 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.653 3.911 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.315 5.278 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.005 3.549 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.747 4.569 -5.990 1.00 0.00 H new ATOM 409 N LEU A 23 13.753 1.703 -2.646 1.00 0.00 N ATOM 410 CA LEU A 23 14.275 0.782 -1.693 1.00 0.00 C ATOM 411 C LEU A 23 15.723 0.555 -2.053 1.00 0.00 C ATOM 412 O LEU A 23 16.038 0.234 -3.199 1.00 0.00 O ATOM 413 CB LEU A 23 13.482 -0.541 -1.765 1.00 0.00 C ATOM 414 CG LEU A 23 13.940 -1.662 -0.810 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.949 -1.835 0.335 1.00 0.00 C ATOM 416 CD2 LEU A 23 14.109 -2.985 -1.558 1.00 0.00 C ATOM 0 H LEU A 23 13.630 1.309 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 23 14.190 1.166 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.434 -0.324 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.536 -0.918 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 23 14.906 -1.371 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.292 -2.631 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.875 -0.904 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.970 -2.095 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.432 -3.758 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.158 -3.274 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.857 -2.867 -2.342 1.00 0.00 H new ATOM 428 N LYS A 24 16.605 0.724 -1.099 1.00 0.00 N ATOM 429 CA LYS A 24 18.003 0.533 -1.363 1.00 0.00 C ATOM 430 C LYS A 24 18.369 -0.811 -0.826 1.00 0.00 C ATOM 431 O LYS A 24 18.186 -1.100 0.344 1.00 0.00 O ATOM 432 CB LYS A 24 18.827 1.638 -0.691 1.00 0.00 C ATOM 433 CG LYS A 24 18.373 3.040 -1.080 1.00 0.00 C ATOM 434 CD LYS A 24 18.732 4.068 -0.018 1.00 0.00 C ATOM 435 CE LYS A 24 18.750 5.473 -0.593 1.00 0.00 C ATOM 436 NZ LYS A 24 20.127 5.917 -0.939 1.00 0.00 N ATOM 0 H LYS A 24 16.379 0.991 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 24 18.211 0.584 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.759 1.527 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.876 1.515 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.833 3.321 -2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.294 3.042 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.012 4.016 0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.709 3.833 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.123 5.508 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.317 6.165 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.093 6.881 -1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.719 5.909 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.532 5.272 -1.647 1.00 0.00 H new ATOM 450 N PHE A 25 18.841 -1.656 -1.704 1.00 0.00 N ATOM 451 CA PHE A 25 19.155 -2.996 -1.314 1.00 0.00 C ATOM 452 C PHE A 25 20.635 -3.285 -1.428 1.00 0.00 C ATOM 453 O PHE A 25 21.282 -2.955 -2.422 1.00 0.00 O ATOM 454 CB PHE A 25 18.328 -3.972 -2.154 1.00 0.00 C ATOM 455 CG PHE A 25 17.796 -3.414 -3.448 1.00 0.00 C ATOM 456 CD1 PHE A 25 16.706 -2.558 -3.462 1.00 0.00 C ATOM 457 CD2 PHE A 25 18.383 -3.763 -4.655 1.00 0.00 C ATOM 458 CE1 PHE A 25 16.215 -2.062 -4.655 1.00 0.00 C ATOM 459 CE2 PHE A 25 17.895 -3.269 -5.848 1.00 0.00 C ATOM 460 CZ PHE A 25 16.811 -2.417 -5.848 1.00 0.00 C ATOM 0 H PHE A 25 19.014 -1.439 -2.685 1.00 0.00 H new ATOM 0 HA PHE A 25 18.898 -3.123 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 25 18.942 -4.844 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.487 -4.320 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.236 -2.276 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 25 19.233 -4.430 -4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.365 -1.396 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.362 -3.550 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.429 -2.028 -6.780 1.00 0.00 H new ATOM 470 N ASP A 26 21.157 -3.902 -0.383 1.00 0.00 N ATOM 471 CA ASP A 26 22.570 -4.247 -0.327 1.00 0.00 C ATOM 472 C ASP A 26 22.843 -5.574 -1.030 1.00 0.00 C ATOM 473 O ASP A 26 22.345 -6.621 -0.620 1.00 0.00 O ATOM 474 CB ASP A 26 23.030 -4.308 1.129 1.00 0.00 C ATOM 475 CG ASP A 26 22.423 -5.473 1.886 1.00 0.00 C ATOM 476 OD1 ASP A 26 21.302 -5.893 1.530 1.00 0.00 O ATOM 477 OD2 ASP A 26 23.069 -5.967 2.835 1.00 0.00 O ATOM 0 H ASP A 26 20.623 -4.176 0.442 1.00 0.00 H new ATOM 0 HA ASP A 26 23.134 -3.474 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 26 24.117 -4.387 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.764 -3.377 1.629 1.00 0.00 H new ATOM 567 N ARG A 33 10.604 -10.046 2.253 1.00 0.00 N ATOM 568 CA ARG A 33 9.201 -9.750 1.983 1.00 0.00 C ATOM 569 C ARG A 33 8.674 -8.655 2.907 1.00 0.00 C ATOM 570 O ARG A 33 8.040 -7.703 2.460 1.00 0.00 O ATOM 571 CB ARG A 33 8.354 -11.014 2.141 1.00 0.00 C ATOM 572 CG ARG A 33 8.820 -12.170 1.270 1.00 0.00 C ATOM 573 CD ARG A 33 9.069 -13.427 2.089 1.00 0.00 C ATOM 574 NE ARG A 33 9.998 -14.338 1.426 1.00 0.00 N ATOM 575 CZ ARG A 33 10.192 -15.600 1.798 1.00 0.00 C ATOM 576 NH1 ARG A 33 9.525 -16.104 2.829 1.00 0.00 N ATOM 577 NH2 ARG A 33 11.055 -16.361 1.140 1.00 0.00 N ATOM 0 HA ARG A 33 9.129 -9.392 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.373 -11.326 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.318 -10.780 1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.070 -12.376 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.735 -11.888 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.467 -13.150 3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.123 -13.939 2.264 1.00 0.00 H new ATOM 0 HE ARG A 33 10.530 -13.985 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.860 -15.523 3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.677 -17.072 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.571 -15.979 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.203 -17.329 1.426 1.00 0.00 H new ATOM 591 N GLU A 34 8.942 -8.808 4.201 1.00 0.00 N ATOM 592 CA GLU A 34 8.495 -7.846 5.205 1.00 0.00 C ATOM 593 C GLU A 34 9.305 -6.558 5.151 1.00 0.00 C ATOM 594 O GLU A 34 8.758 -5.469 5.306 1.00 0.00 O ATOM 595 CB GLU A 34 8.593 -8.464 6.604 1.00 0.00 C ATOM 596 CG GLU A 34 7.243 -8.712 7.255 1.00 0.00 C ATOM 597 CD GLU A 34 6.669 -10.073 6.906 1.00 0.00 C ATOM 598 OE1 GLU A 34 6.781 -10.481 5.731 1.00 0.00 O ATOM 599 OE2 GLU A 34 6.106 -10.728 7.808 1.00 0.00 O ATOM 0 H GLU A 34 9.470 -9.594 4.581 1.00 0.00 H new ATOM 0 HA GLU A 34 7.457 -7.597 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.134 -9.408 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.180 -7.804 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.345 -8.631 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.545 -7.936 6.942 1.00 0.00 H new ATOM 606 N GLU A 35 10.613 -6.679 4.951 1.00 0.00 N ATOM 607 CA GLU A 35 11.472 -5.503 4.912 1.00 0.00 C ATOM 608 C GLU A 35 11.025 -4.519 3.836 1.00 0.00 C ATOM 609 O GLU A 35 10.827 -3.343 4.119 1.00 0.00 O ATOM 610 CB GLU A 35 12.928 -5.913 4.675 1.00 0.00 C ATOM 611 CG GLU A 35 13.887 -5.380 5.726 1.00 0.00 C ATOM 612 CD GLU A 35 14.648 -4.157 5.253 1.00 0.00 C ATOM 613 OE1 GLU A 35 14.053 -3.061 5.227 1.00 0.00 O ATOM 614 OE2 GLU A 35 15.841 -4.297 4.908 1.00 0.00 O ATOM 0 H GLU A 35 11.096 -7.567 4.815 1.00 0.00 H new ATOM 0 HA GLU A 35 11.393 -5.005 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.992 -7.001 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.242 -5.557 3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.329 -5.130 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.596 -6.163 5.996 1.00 0.00 H new ATOM 621 N ILE A 36 10.847 -4.995 2.606 1.00 0.00 N ATOM 622 CA ILE A 36 10.411 -4.122 1.523 1.00 0.00 C ATOM 623 C ILE A 36 8.928 -3.787 1.644 1.00 0.00 C ATOM 624 O ILE A 36 8.547 -2.628 1.646 1.00 0.00 O ATOM 625 CB ILE A 36 10.703 -4.731 0.126 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.502 -3.677 -0.971 1.00 0.00 C ATOM 627 CG2 ILE A 36 9.839 -5.955 -0.144 1.00 0.00 C ATOM 628 CD1 ILE A 36 9.051 -3.410 -1.323 1.00 0.00 C ATOM 0 H ILE A 36 10.996 -5.968 2.338 1.00 0.00 H new ATOM 0 HA ILE A 36 10.989 -3.203 1.616 1.00 0.00 H new ATOM 0 HB ILE A 36 11.744 -5.054 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.963 -2.743 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.028 -4.000 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.072 -6.354 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.039 -6.715 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.787 -5.673 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.000 -2.653 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.587 -4.331 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.522 -3.054 -0.439 1.00 0.00 H new ATOM 640 N LYS A 37 8.107 -4.819 1.728 1.00 0.00 N ATOM 641 CA LYS A 37 6.645 -4.661 1.822 1.00 0.00 C ATOM 642 C LYS A 37 6.187 -3.934 3.065 1.00 0.00 C ATOM 643 O LYS A 37 5.282 -3.105 2.993 1.00 0.00 O ATOM 644 CB LYS A 37 5.942 -6.012 1.714 1.00 0.00 C ATOM 645 CG LYS A 37 4.425 -5.909 1.698 1.00 0.00 C ATOM 646 CD LYS A 37 3.771 -7.265 1.919 1.00 0.00 C ATOM 647 CE LYS A 37 2.255 -7.157 1.940 1.00 0.00 C ATOM 648 NZ LYS A 37 1.725 -7.070 3.329 1.00 0.00 N ATOM 0 H LYS A 37 8.421 -5.789 1.734 1.00 0.00 H new ATOM 0 HA LYS A 37 6.364 -4.033 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.273 -6.513 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.247 -6.639 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.098 -5.216 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.097 -5.497 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.077 -7.950 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.119 -7.689 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.946 -6.276 1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.822 -8.023 1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.072 -7.861 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.514 -7.119 4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.219 -6.170 3.452 1.00 0.00 H new ATOM 662 N GLU A 38 6.771 -4.211 4.196 1.00 0.00 N ATOM 663 CA GLU A 38 6.346 -3.506 5.374 1.00 0.00 C ATOM 664 C GLU A 38 6.906 -2.086 5.377 1.00 0.00 C ATOM 665 O GLU A 38 6.161 -1.123 5.480 1.00 0.00 O ATOM 666 CB GLU A 38 6.696 -4.290 6.625 1.00 0.00 C ATOM 667 CG GLU A 38 7.927 -3.796 7.375 1.00 0.00 C ATOM 668 CD GLU A 38 8.183 -4.575 8.650 1.00 0.00 C ATOM 669 OE1 GLU A 38 7.349 -4.486 9.577 1.00 0.00 O ATOM 670 OE2 GLU A 38 9.214 -5.274 8.723 1.00 0.00 O ATOM 0 H GLU A 38 7.516 -4.894 4.329 1.00 0.00 H new ATOM 0 HA GLU A 38 5.260 -3.412 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.842 -4.263 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.852 -5.333 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.799 -3.872 6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.801 -2.741 7.617 1.00 0.00 H new ATOM 677 N LEU A 39 8.214 -1.940 5.234 1.00 0.00 N ATOM 678 CA LEU A 39 8.804 -0.608 5.216 1.00 0.00 C ATOM 679 C LEU A 39 8.228 0.236 4.076 1.00 0.00 C ATOM 680 O LEU A 39 8.124 1.453 4.193 1.00 0.00 O ATOM 681 CB LEU A 39 10.335 -0.692 5.164 1.00 0.00 C ATOM 682 CG LEU A 39 11.001 -0.130 3.910 1.00 0.00 C ATOM 683 CD1 LEU A 39 12.491 0.051 4.145 1.00 0.00 C ATOM 684 CD2 LEU A 39 10.752 -1.038 2.715 1.00 0.00 C ATOM 0 H LEU A 39 8.877 -2.709 5.131 1.00 0.00 H new ATOM 0 HA LEU A 39 8.541 -0.102 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.736 -0.165 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.624 -1.738 5.265 1.00 0.00 H new ATOM 0 HG LEU A 39 10.562 0.844 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.955 0.452 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.647 0.743 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.941 -0.912 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.235 -0.619 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.162 -2.027 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.680 -1.120 2.537 1.00 0.00 H new ATOM 696 N ILE A 40 7.839 -0.416 2.986 1.00 0.00 N ATOM 697 CA ILE A 40 7.258 0.283 1.840 1.00 0.00 C ATOM 698 C ILE A 40 5.886 0.872 2.197 1.00 0.00 C ATOM 699 O ILE A 40 5.684 2.074 2.054 1.00 0.00 O ATOM 700 CB ILE A 40 7.157 -0.681 0.642 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.810 0.008 -0.659 1.00 0.00 C ATOM 702 CG2 ILE A 40 6.150 -1.757 0.916 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.828 -0.968 -1.812 1.00 0.00 C ATOM 0 H ILE A 40 7.914 -1.427 2.869 1.00 0.00 H new ATOM 0 HA ILE A 40 7.907 1.114 1.564 1.00 0.00 H new ATOM 0 HB ILE A 40 8.151 -1.113 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.824 0.465 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.520 0.813 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.092 -2.428 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.451 -2.321 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.173 -1.306 1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.575 -0.446 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.822 -1.405 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.100 -1.758 -1.631 1.00 0.00 H new ATOM 715 N ALA A 41 4.961 0.035 2.693 1.00 0.00 N ATOM 716 CA ALA A 41 3.621 0.496 3.088 1.00 0.00 C ATOM 717 C ALA A 41 3.642 1.336 4.344 1.00 0.00 C ATOM 718 O ALA A 41 3.040 2.417 4.427 1.00 0.00 O ATOM 719 CB ALA A 41 2.685 -0.671 3.332 1.00 0.00 C ATOM 0 H ALA A 41 5.117 -0.964 2.830 1.00 0.00 H new ATOM 0 HA ALA A 41 3.267 1.103 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.704 -0.296 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.593 -1.261 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.084 -1.297 4.130 1.00 0.00 H new ATOM 725 N LYS A 42 4.313 0.806 5.339 1.00 0.00 N ATOM 726 CA LYS A 42 4.385 1.452 6.618 1.00 0.00 C ATOM 727 C LYS A 42 4.905 2.851 6.423 1.00 0.00 C ATOM 728 O LYS A 42 4.217 3.820 6.774 1.00 0.00 O ATOM 729 CB LYS A 42 5.232 0.580 7.541 1.00 0.00 C ATOM 730 CG LYS A 42 4.732 -0.871 7.533 1.00 0.00 C ATOM 731 CD LYS A 42 5.285 -1.686 8.686 1.00 0.00 C ATOM 732 CE LYS A 42 4.525 -2.997 8.835 1.00 0.00 C ATOM 733 NZ LYS A 42 3.594 -2.969 9.996 1.00 0.00 N ATOM 0 H LYS A 42 4.819 -0.078 5.281 1.00 0.00 H new ATOM 0 HA LYS A 42 3.411 1.558 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.274 0.612 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.196 0.976 8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.643 -0.876 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.013 -1.343 6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.342 -1.890 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.214 -1.112 9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.962 -3.196 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.234 -3.816 8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.555 -3.912 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.932 -2.278 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.644 -2.697 9.672 1.00 0.00 H new ATOM 747 N HIS A 43 6.035 2.965 5.731 1.00 0.00 N ATOM 748 CA HIS A 43 6.562 4.271 5.385 1.00 0.00 C ATOM 749 C HIS A 43 5.539 4.978 4.555 1.00 0.00 C ATOM 750 O HIS A 43 5.246 6.144 4.763 1.00 0.00 O ATOM 751 CB HIS A 43 7.794 4.159 4.511 1.00 0.00 C ATOM 752 CG HIS A 43 9.033 3.738 5.241 1.00 0.00 C ATOM 753 ND1 HIS A 43 10.303 4.077 4.825 1.00 0.00 N ATOM 754 CD2 HIS A 43 9.192 3.005 6.367 1.00 0.00 C ATOM 755 CE1 HIS A 43 11.190 3.567 5.663 1.00 0.00 C ATOM 756 NE2 HIS A 43 10.541 2.913 6.608 1.00 0.00 N ATOM 0 H HIS A 43 6.594 2.177 5.405 1.00 0.00 H new ATOM 0 HA HIS A 43 6.805 4.791 6.312 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.595 3.443 3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.976 5.123 4.036 1.00 0.00 H new ATOM 0 HD1 HIS A 43 10.524 4.634 4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.404 2.572 6.966 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.263 3.668 5.587 1.00 0.00 H new ATOM 765 N GLU A 44 5.009 4.216 3.604 1.00 0.00 N ATOM 766 CA GLU A 44 4.009 4.685 2.672 1.00 0.00 C ATOM 767 C GLU A 44 2.950 5.526 3.323 1.00 0.00 C ATOM 768 O GLU A 44 2.228 6.263 2.651 1.00 0.00 O ATOM 769 CB GLU A 44 3.375 3.518 1.971 1.00 0.00 C ATOM 770 CG GLU A 44 3.662 3.529 0.501 1.00 0.00 C ATOM 771 CD GLU A 44 4.315 2.266 -0.017 1.00 0.00 C ATOM 772 OE1 GLU A 44 3.914 1.164 0.407 1.00 0.00 O ATOM 773 OE2 GLU A 44 5.234 2.383 -0.855 1.00 0.00 O ATOM 0 H GLU A 44 5.271 3.240 3.463 1.00 0.00 H new ATOM 0 HA GLU A 44 4.522 5.322 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.743 2.589 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.297 3.540 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.728 3.688 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.309 4.377 0.276 1.00 0.00 H new ATOM 780 N GLY A 45 2.832 5.392 4.614 1.00 0.00 N ATOM 781 CA GLY A 45 1.825 6.122 5.305 1.00 0.00 C ATOM 782 C GLY A 45 0.697 5.173 5.625 1.00 0.00 C ATOM 783 O GLY A 45 -0.460 5.574 5.753 1.00 0.00 O ATOM 0 H GLY A 45 3.415 4.791 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.229 6.556 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.465 6.948 4.692 1.00 0.00 H new ATOM 787 N VAL A 46 1.046 3.878 5.659 1.00 0.00 N ATOM 788 CA VAL A 46 0.050 2.829 5.856 1.00 0.00 C ATOM 789 C VAL A 46 0.619 1.562 6.491 1.00 0.00 C ATOM 790 O VAL A 46 1.823 1.394 6.579 1.00 0.00 O ATOM 791 CB VAL A 46 -0.589 2.477 4.505 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.771 3.396 4.227 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.445 2.572 3.385 1.00 0.00 C ATOM 0 H VAL A 46 2.003 3.540 5.553 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.691 3.224 6.551 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.953 1.450 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.216 3.136 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.515 3.280 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.429 4.431 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.024 2.319 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.838 3.588 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.261 1.877 3.583 1.00 0.00 H new ATOM 803 N ASP A 47 -0.268 0.666 6.918 1.00 0.00 N ATOM 804 CA ASP A 47 0.141 -0.598 7.537 1.00 0.00 C ATOM 805 C ASP A 47 0.520 -1.654 6.488 1.00 0.00 C ATOM 806 O ASP A 47 0.464 -1.405 5.286 1.00 0.00 O ATOM 807 CB ASP A 47 -0.987 -1.148 8.405 1.00 0.00 C ATOM 808 CG ASP A 47 -1.718 -0.064 9.175 1.00 0.00 C ATOM 809 OD1 ASP A 47 -2.441 0.732 8.540 1.00 0.00 O ATOM 810 OD2 ASP A 47 -1.565 -0.011 10.414 1.00 0.00 O ATOM 0 H ASP A 47 -1.278 0.790 6.847 1.00 0.00 H new ATOM 0 HA ASP A 47 1.019 -0.387 8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.698 -1.681 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.578 -1.874 9.108 1.00 0.00 H new ATOM 815 N LYS A 48 0.902 -2.837 6.976 1.00 0.00 N ATOM 816 CA LYS A 48 1.300 -3.958 6.122 1.00 0.00 C ATOM 817 C LYS A 48 0.123 -4.521 5.324 1.00 0.00 C ATOM 818 O LYS A 48 0.305 -5.079 4.245 1.00 0.00 O ATOM 819 CB LYS A 48 1.925 -5.069 6.969 1.00 0.00 C ATOM 820 CG LYS A 48 0.960 -5.692 7.964 1.00 0.00 C ATOM 821 CD LYS A 48 1.100 -5.071 9.343 1.00 0.00 C ATOM 822 CE LYS A 48 0.760 -6.065 10.441 1.00 0.00 C ATOM 823 NZ LYS A 48 -0.601 -6.644 10.265 1.00 0.00 N ATOM 0 H LYS A 48 0.944 -3.044 7.974 1.00 0.00 H new ATOM 0 HA LYS A 48 2.033 -3.578 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.305 -5.848 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.780 -4.664 7.510 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.063 -5.564 7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.144 -6.765 8.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.120 -4.712 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.444 -4.204 9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.498 -6.867 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.821 -5.570 11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.869 -7.168 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.285 -5.878 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.601 -7.290 9.450 1.00 0.00 H new ATOM 837 N GLU A 49 -1.084 -4.388 5.851 1.00 0.00 N ATOM 838 CA GLU A 49 -2.261 -4.895 5.148 1.00 0.00 C ATOM 839 C GLU A 49 -2.504 -4.064 3.890 1.00 0.00 C ATOM 840 O GLU A 49 -2.905 -4.579 2.848 1.00 0.00 O ATOM 841 CB GLU A 49 -3.494 -4.856 6.055 1.00 0.00 C ATOM 842 CG GLU A 49 -3.869 -6.210 6.637 1.00 0.00 C ATOM 843 CD GLU A 49 -4.223 -7.226 5.567 1.00 0.00 C ATOM 844 OE1 GLU A 49 -3.294 -7.777 4.940 1.00 0.00 O ATOM 845 OE2 GLU A 49 -5.430 -7.472 5.357 1.00 0.00 O ATOM 0 H GLU A 49 -1.277 -3.942 6.748 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.081 -5.932 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.311 -4.158 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.340 -4.468 5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.038 -6.589 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.716 -6.089 7.313 1.00 0.00 H new ATOM 852 N LEU A 50 -2.277 -2.766 4.030 1.00 0.00 N ATOM 853 CA LEU A 50 -2.466 -1.797 2.984 1.00 0.00 C ATOM 854 C LEU A 50 -1.360 -1.800 1.937 1.00 0.00 C ATOM 855 O LEU A 50 -1.319 -0.882 1.135 1.00 0.00 O ATOM 856 CB LEU A 50 -2.550 -0.387 3.603 1.00 0.00 C ATOM 857 CG LEU A 50 -2.932 -0.297 5.097 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.435 1.098 5.431 1.00 0.00 C ATOM 859 CD2 LEU A 50 -3.978 -1.339 5.490 1.00 0.00 C ATOM 0 H LEU A 50 -1.947 -2.356 4.904 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.391 -2.072 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.583 0.099 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.277 0.190 3.032 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.030 -0.505 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.700 1.146 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.653 1.827 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.313 1.323 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.214 -1.236 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.882 -1.187 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.585 -2.338 5.301 1.00 0.00 H new ATOM 871 N VAL A 51 -0.457 -2.784 1.914 1.00 0.00 N ATOM 872 CA VAL A 51 0.612 -2.723 0.909 1.00 0.00 C ATOM 873 C VAL A 51 0.308 -3.471 -0.387 1.00 0.00 C ATOM 874 O VAL A 51 0.287 -4.703 -0.430 1.00 0.00 O ATOM 875 CB VAL A 51 1.947 -3.289 1.449 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.107 -2.421 1.004 1.00 0.00 C ATOM 877 CG2 VAL A 51 1.933 -3.439 2.964 1.00 0.00 C ATOM 0 H VAL A 51 -0.438 -3.589 2.540 1.00 0.00 H new ATOM 0 HA VAL A 51 0.688 -1.658 0.690 1.00 0.00 H new ATOM 0 HB VAL A 51 2.074 -4.287 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.039 -2.832 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.146 -2.397 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.971 -1.409 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.890 -3.839 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.766 -2.465 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.133 -4.120 3.255 1.00 0.00 H new ATOM 887 N ILE A 52 0.197 -2.693 -1.461 1.00 0.00 N ATOM 888 CA ILE A 52 0.032 -3.211 -2.815 1.00 0.00 C ATOM 889 C ILE A 52 1.000 -2.457 -3.731 1.00 0.00 C ATOM 890 O ILE A 52 0.748 -1.295 -4.035 1.00 0.00 O ATOM 891 CB ILE A 52 -1.428 -3.086 -3.332 1.00 0.00 C ATOM 892 CG1 ILE A 52 -1.470 -2.960 -4.856 1.00 0.00 C ATOM 893 CG2 ILE A 52 -2.147 -1.908 -2.688 1.00 0.00 C ATOM 894 CD1 ILE A 52 -0.724 -4.060 -5.582 1.00 0.00 C ATOM 0 H ILE A 52 0.219 -1.674 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 52 0.255 -4.278 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.947 -4.001 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.510 -2.962 -5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.048 -1.997 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.166 -1.849 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.174 -2.045 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.617 -0.985 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.799 -3.902 -6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.325 -4.045 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.160 -5.026 -5.326 1.00 0.00 H new ATOM 906 N VAL A 53 2.101 -3.058 -4.174 1.00 0.00 N ATOM 907 CA VAL A 53 3.015 -2.298 -5.031 1.00 0.00 C ATOM 908 C VAL A 53 3.364 -3.010 -6.338 1.00 0.00 C ATOM 909 O VAL A 53 4.034 -4.043 -6.355 1.00 0.00 O ATOM 910 CB VAL A 53 4.310 -1.893 -4.268 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.025 -1.654 -2.789 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.414 -2.923 -4.423 1.00 0.00 C ATOM 0 H VAL A 53 2.376 -4.019 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 53 2.470 -1.395 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 53 4.657 -0.962 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.948 -1.373 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.294 -0.852 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.629 -2.566 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.297 -2.596 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.075 -3.881 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.664 -3.032 -5.478 1.00 0.00 H new ATOM 922 N ASP A 54 2.914 -2.408 -7.437 1.00 0.00 N ATOM 923 CA ASP A 54 3.176 -2.915 -8.781 1.00 0.00 C ATOM 924 C ASP A 54 4.021 -1.921 -9.565 1.00 0.00 C ATOM 925 O ASP A 54 3.922 -0.712 -9.354 1.00 0.00 O ATOM 926 CB ASP A 54 1.864 -3.198 -9.517 1.00 0.00 C ATOM 927 CG ASP A 54 1.780 -4.628 -10.017 1.00 0.00 C ATOM 928 OD1 ASP A 54 1.394 -5.511 -9.224 1.00 0.00 O ATOM 929 OD2 ASP A 54 2.102 -4.861 -11.200 1.00 0.00 O ATOM 0 H ASP A 54 2.357 -1.554 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 54 3.728 -3.851 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.026 -2.999 -8.849 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.769 -2.514 -10.361 1.00 0.00 H new ATOM 934 N ASN A 55 4.839 -2.429 -10.475 1.00 0.00 N ATOM 935 CA ASN A 55 5.685 -1.574 -11.292 1.00 0.00 C ATOM 936 C ASN A 55 6.649 -0.775 -10.425 1.00 0.00 C ATOM 937 O ASN A 55 6.334 -0.409 -9.294 1.00 0.00 O ATOM 938 CB ASN A 55 4.828 -0.625 -12.135 1.00 0.00 C ATOM 939 CG ASN A 55 4.704 -1.084 -13.573 1.00 0.00 C ATOM 940 OD1 ASN A 55 3.853 -1.910 -13.903 1.00 0.00 O ATOM 941 ND2 ASN A 55 5.556 -0.550 -14.442 1.00 0.00 N ATOM 0 H ASN A 55 4.934 -3.427 -10.665 1.00 0.00 H new ATOM 0 HA ASN A 55 6.267 -2.211 -11.957 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.834 -0.548 -11.694 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.265 0.373 -12.111 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.520 -0.822 -15.424 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.246 0.132 -14.126 1.00 0.00 H new ATOM 948 N ASN A 56 7.830 -0.523 -10.965 1.00 0.00 N ATOM 949 CA ASN A 56 8.860 0.222 -10.246 1.00 0.00 C ATOM 950 C ASN A 56 9.804 0.945 -11.211 1.00 0.00 C ATOM 951 O ASN A 56 10.608 0.312 -11.894 1.00 0.00 O ATOM 952 CB ASN A 56 9.658 -0.731 -9.355 1.00 0.00 C ATOM 953 CG ASN A 56 9.864 -2.092 -9.995 1.00 0.00 C ATOM 954 OD1 ASN A 56 10.215 -2.190 -11.169 1.00 0.00 O ATOM 955 ND2 ASN A 56 9.644 -3.148 -9.221 1.00 0.00 N ATOM 0 H ASN A 56 8.103 -0.823 -11.901 1.00 0.00 H new ATOM 0 HA ASN A 56 8.367 0.975 -9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.628 -0.288 -9.132 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.139 -0.855 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.765 -4.089 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.354 -3.018 -8.252 1.00 0.00 H new ATOM 962 N LYS A 57 9.708 2.277 -11.256 1.00 0.00 N ATOM 963 CA LYS A 57 10.569 3.072 -12.130 1.00 0.00 C ATOM 964 C LYS A 57 11.963 3.201 -11.509 1.00 0.00 C ATOM 965 O LYS A 57 12.127 3.815 -10.459 1.00 0.00 O ATOM 966 CB LYS A 57 9.944 4.461 -12.359 1.00 0.00 C ATOM 967 CG LYS A 57 9.951 5.366 -11.129 1.00 0.00 C ATOM 968 CD LYS A 57 8.613 6.075 -10.918 1.00 0.00 C ATOM 969 CE LYS A 57 8.703 7.111 -9.797 1.00 0.00 C ATOM 970 NZ LYS A 57 8.834 8.494 -10.333 1.00 0.00 N ATOM 0 H LYS A 57 9.048 2.822 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 57 10.664 2.573 -13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.482 4.960 -13.165 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.915 4.332 -12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.187 4.772 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.741 6.110 -11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.308 6.563 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.844 5.341 -10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.814 7.047 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.559 6.885 -9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.892 9.168 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.696 8.562 -10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.005 8.719 -10.920 1.00 0.00 H new ATOM 984 N GLN A 58 12.967 2.604 -12.150 1.00 0.00 N ATOM 985 CA GLN A 58 14.331 2.643 -11.619 1.00 0.00 C ATOM 986 C GLN A 58 15.136 3.821 -12.172 1.00 0.00 C ATOM 987 O GLN A 58 15.574 3.796 -13.322 1.00 0.00 O ATOM 988 CB GLN A 58 15.050 1.335 -11.960 1.00 0.00 C ATOM 989 CG GLN A 58 15.370 0.481 -10.747 1.00 0.00 C ATOM 990 CD GLN A 58 16.822 0.587 -10.325 1.00 0.00 C ATOM 991 OE1 GLN A 58 17.504 1.563 -10.640 1.00 0.00 O ATOM 992 NE2 GLN A 58 17.304 -0.421 -9.608 1.00 0.00 N ATOM 0 H GLN A 58 12.865 2.093 -13.027 1.00 0.00 H new ATOM 0 HA GLN A 58 14.258 2.770 -10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.430 0.758 -12.646 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.977 1.566 -12.485 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.731 0.782 -9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.135 -0.560 -10.968 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.703 -1.210 -9.369 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.275 -0.406 -9.296 1.00 0.00 H new ATOM 1063 N HIS A 63 21.858 0.724 -7.548 1.00 0.00 N ATOM 1064 CA HIS A 63 21.388 -0.589 -7.122 1.00 0.00 C ATOM 1065 C HIS A 63 20.122 -0.503 -6.271 1.00 0.00 C ATOM 1066 O HIS A 63 19.821 -1.424 -5.513 1.00 0.00 O ATOM 1067 CB HIS A 63 22.488 -1.314 -6.345 1.00 0.00 C ATOM 1068 CG HIS A 63 22.669 -2.742 -6.758 1.00 0.00 C ATOM 1069 ND1 HIS A 63 22.961 -3.120 -8.051 1.00 0.00 N ATOM 1070 CD2 HIS A 63 22.600 -3.889 -6.039 1.00 0.00 C ATOM 1071 CE1 HIS A 63 23.061 -4.437 -8.113 1.00 0.00 C ATOM 1072 NE2 HIS A 63 22.847 -4.926 -6.906 1.00 0.00 N ATOM 0 HA HIS A 63 21.140 -1.151 -8.022 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.430 -0.782 -6.482 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.254 -1.279 -5.281 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.390 -3.972 -4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 63 23.280 -5.014 -8.999 1.00 0.00 H new ATOM 0 HE2 HIS A 63 22.862 -5.915 -6.657 1.00 0.00 H new ATOM 1081 N GLU A 64 19.376 0.597 -6.388 1.00 0.00 N ATOM 1082 CA GLU A 64 18.165 0.775 -5.636 1.00 0.00 C ATOM 1083 C GLU A 64 17.024 0.997 -6.612 1.00 10.00 C ATOM 1084 O GLU A 64 17.249 1.394 -7.754 1.00 10.00 O ATOM 1085 CB GLU A 64 18.353 1.918 -4.654 1.00 0.00 C ATOM 1086 CG GLU A 64 19.658 1.774 -3.881 1.00 0.00 C ATOM 1087 CD GLU A 64 20.588 2.957 -4.071 1.00 0.00 C ATOM 1088 OE1 GLU A 64 20.146 4.104 -3.844 1.00 0.00 O ATOM 1089 OE2 GLU A 64 21.760 2.738 -4.448 1.00 0.00 O ATOM 0 H GLU A 64 19.605 1.376 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 64 17.920 -0.107 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.349 2.866 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.516 1.943 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.436 1.659 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.166 0.864 -4.200 1.00 0.00 H new ATOM 1096 N ILE A 65 15.816 0.669 -6.199 1.00 10.00 N ATOM 1097 CA ILE A 65 14.675 0.760 -7.093 1.00 0.00 C ATOM 1098 C ILE A 65 13.665 1.795 -6.645 1.00 0.00 C ATOM 1099 O ILE A 65 13.308 1.869 -5.473 1.00 0.00 O ATOM 1100 CB ILE A 65 13.978 -0.613 -7.170 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.316 -0.831 -8.525 1.00 0.00 C ATOM 1102 CG2 ILE A 65 12.953 -0.754 -6.056 1.00 0.00 C ATOM 1103 CD1 ILE A 65 12.438 -2.062 -8.551 1.00 0.00 C ATOM 0 H ILE A 65 15.598 0.340 -5.259 1.00 10.00 H new ATOM 0 HA ILE A 65 15.053 1.065 -8.069 1.00 0.00 H new ATOM 0 HB ILE A 65 14.745 -1.378 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.717 0.044 -8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.086 -0.922 -9.291 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.471 -1.729 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.450 -0.664 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.202 0.030 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.991 -2.170 -9.539 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.040 -2.943 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.649 -1.962 -7.805 1.00 0.00 H new ATOM 1115 N GLU A 66 13.202 2.576 -7.609 1.00 0.00 N ATOM 1116 CA GLU A 66 12.214 3.610 -7.364 1.00 0.00 C ATOM 1117 C GLU A 66 10.951 3.299 -8.144 1.00 0.00 C ATOM 1118 O GLU A 66 10.962 2.468 -9.051 1.00 0.00 O ATOM 1119 CB GLU A 66 12.757 4.987 -7.765 1.00 0.00 C ATOM 1120 CG GLU A 66 12.020 6.149 -7.110 1.00 0.00 C ATOM 1121 CD GLU A 66 12.913 6.999 -6.225 1.00 0.00 C ATOM 1122 OE1 GLU A 66 14.048 7.308 -6.643 1.00 0.00 O ATOM 1123 OE2 GLU A 66 12.473 7.358 -5.113 1.00 0.00 O ATOM 0 H GLU A 66 13.502 2.509 -8.582 1.00 0.00 H new ATOM 0 HA GLU A 66 11.986 3.632 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.813 5.043 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.693 5.092 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.583 6.778 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.195 5.758 -6.515 1.00 0.00 H new ATOM 1130 N GLY A 67 9.863 3.946 -7.783 1.00 0.00 N ATOM 1131 CA GLY A 67 8.613 3.709 -8.464 1.00 0.00 C ATOM 1132 C GLY A 67 7.440 4.244 -7.698 1.00 0.00 C ATOM 1133 O GLY A 67 7.591 5.116 -6.843 1.00 0.00 O ATOM 0 H GLY A 67 9.820 4.633 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.644 4.174 -9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.484 2.638 -8.621 1.00 0.00 H new ATOM 1137 N TYR A 68 6.270 3.709 -7.986 1.00 0.00 N ATOM 1138 CA TYR A 68 5.073 4.128 -7.295 1.00 0.00 C ATOM 1139 C TYR A 68 4.406 2.921 -6.672 1.00 0.00 C ATOM 1140 O TYR A 68 4.255 1.879 -7.310 1.00 0.00 O ATOM 1141 CB TYR A 68 4.111 4.826 -8.258 1.00 0.00 C ATOM 1142 CG TYR A 68 3.929 4.094 -9.569 1.00 0.00 C ATOM 1143 CD1 TYR A 68 3.008 3.062 -9.689 1.00 0.00 C ATOM 1144 CD2 TYR A 68 4.680 4.439 -10.686 1.00 0.00 C ATOM 1145 CE1 TYR A 68 2.839 2.392 -10.887 1.00 0.00 C ATOM 1146 CE2 TYR A 68 4.516 3.774 -11.888 1.00 0.00 C ATOM 1147 CZ TYR A 68 3.595 2.753 -11.982 1.00 0.00 C ATOM 1148 OH TYR A 68 3.430 2.088 -13.176 1.00 0.00 O ATOM 0 H TYR A 68 6.126 2.986 -8.691 1.00 0.00 H new ATOM 0 HA TYR A 68 5.344 4.837 -6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.140 4.934 -7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.479 5.832 -8.461 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.414 2.778 -8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.403 5.238 -10.615 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.119 1.591 -10.964 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.106 4.053 -12.748 1.00 0.00 H new ATOM 0 HH TYR A 68 4.037 2.465 -13.847 1.00 0.00 H new ATOM 1158 N THR A 69 4.011 3.070 -5.426 1.00 0.00 N ATOM 1159 CA THR A 69 3.362 2.004 -4.703 1.00 0.00 C ATOM 1160 C THR A 69 1.909 2.350 -4.436 1.00 0.00 C ATOM 1161 O THR A 69 1.546 3.510 -4.244 1.00 0.00 O ATOM 1162 CB THR A 69 4.081 1.688 -3.384 1.00 0.00 C ATOM 1163 OG1 THR A 69 5.196 0.851 -3.617 1.00 0.00 O ATOM 1164 CG2 THR A 69 3.178 1.001 -2.377 1.00 0.00 C ATOM 0 H THR A 69 4.131 3.930 -4.890 1.00 0.00 H new ATOM 0 HA THR A 69 3.408 1.112 -5.328 1.00 0.00 H new ATOM 0 HB THR A 69 4.395 2.647 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.984 1.401 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.738 0.801 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.330 1.647 -2.149 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.817 0.061 -2.794 1.00 0.00 H new ATOM 1172 N LYS A 70 1.089 1.331 -4.428 1.00 0.00 N ATOM 1173 CA LYS A 70 -0.326 1.487 -4.181 1.00 0.00 C ATOM 1174 C LYS A 70 -0.664 0.898 -2.819 1.00 0.00 C ATOM 1175 O LYS A 70 -0.098 -0.121 -2.433 1.00 0.00 O ATOM 1176 CB LYS A 70 -1.078 0.759 -5.276 1.00 0.00 C ATOM 1177 CG LYS A 70 -2.252 1.537 -5.845 1.00 0.00 C ATOM 1178 CD LYS A 70 -2.316 1.422 -7.360 1.00 0.00 C ATOM 1179 CE LYS A 70 -1.208 2.225 -8.027 1.00 0.00 C ATOM 1180 NZ LYS A 70 -0.594 1.483 -9.164 1.00 0.00 N ATOM 0 H LYS A 70 1.381 0.368 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.608 2.540 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.385 0.525 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.441 -0.190 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.180 1.165 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.166 2.586 -5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.233 0.375 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.285 1.775 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.611 3.172 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.440 2.464 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.156 2.063 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.187 0.591 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.322 1.277 -9.877 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.565 1.523 -2.066 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.889 0.971 -0.749 1.00 0.00 C ATOM 1196 C ILE A 71 -3.380 0.899 -0.483 1.00 0.00 C ATOM 1197 O ILE A 71 -4.134 1.833 -0.817 1.00 0.00 O ATOM 1198 CB ILE A 71 -1.180 1.743 0.400 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.091 0.995 0.821 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -2.094 1.963 1.605 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.333 1.839 0.794 1.00 0.00 C ATOM 0 H ILE A 71 -2.065 2.373 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.510 -0.051 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.916 2.730 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.047 0.602 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.232 0.138 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.551 2.506 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.966 2.541 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.417 0.999 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.188 1.238 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.499 2.211 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.215 2.682 1.475 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.780 -0.206 0.173 1.00 0.00 N ATOM 1214 CA TYR A 72 -5.184 -0.401 0.552 1.00 0.00 C ATOM 1215 C TYR A 72 -5.354 -0.465 2.078 1.00 0.00 C ATOM 1216 O TYR A 72 -4.789 -1.334 2.774 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.830 -1.635 -0.112 1.00 0.00 C ATOM 1218 CG TYR A 72 -4.892 -2.761 -0.494 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -3.928 -3.230 0.383 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -4.997 -3.374 -1.738 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -3.088 -4.270 0.036 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -4.164 -4.418 -2.092 1.00 0.00 C ATOM 1223 CZ TYR A 72 -3.210 -4.861 -1.203 1.00 0.00 C ATOM 1224 OH TYR A 72 -2.378 -5.901 -1.550 1.00 0.00 O ATOM 0 H TYR A 72 -3.157 -0.966 0.447 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.713 0.475 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.584 -2.033 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.353 -1.306 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.831 -2.774 1.357 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.742 -3.028 -2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.339 -4.618 0.732 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.261 -4.884 -3.061 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.462 -5.696 -1.268 1.00 0.00 H new ATOM 1234 N ALA A 73 -6.141 0.482 2.588 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.416 0.585 4.014 1.00 0.00 C ATOM 1236 C ALA A 73 -7.641 -0.237 4.416 1.00 0.00 C ATOM 1237 O ALA A 73 -7.939 -0.379 5.602 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.604 2.044 4.403 1.00 0.00 C ATOM 0 H ALA A 73 -6.603 1.195 2.024 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.559 0.177 4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.809 2.112 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.697 2.602 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.441 2.464 3.845 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.355 -0.768 3.426 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.548 -1.569 3.687 1.00 0.00 C ATOM 1246 C ASP A 74 -9.192 -3.031 3.951 1.00 0.00 C ATOM 1247 O ASP A 74 -10.037 -3.815 4.386 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.515 -1.473 2.504 1.00 0.00 C ATOM 1249 CG ASP A 74 -9.935 -2.059 1.231 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -10.092 -3.279 1.015 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -9.324 -1.300 0.450 1.00 0.00 O ATOM 0 H ASP A 74 -8.129 -0.658 2.438 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.028 -1.172 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.440 -1.994 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.774 -0.428 2.334 1.00 0.00 H new