USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 50 MET CE :methyl 180:sc=-0.00422 (180deg=-0.00422) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 HIS :FLIP no HD1:sc= -0.3 X(o=0.42,f=0.52) USER MOD Set 2.2: A 31 ASN :FLIP amide:sc= 0.822 F(o=-0.043,f=0.52) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.232) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 0.755 (180deg=0.563) USER MOD Single : A 23 ASN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 37 THR OG1 : rot 41:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot -17:sc= 1.22 USER MOD Single : A 47 SER OG : rot 142:sc= 1.27 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.31) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 67 THR OG1 : rot 92:sc= 1.09 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -179:sc= 0 (180deg=-0.00515) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.702 K(o=0.7,f=-4.4!) USER MOD Single : A 95 TYR OH : rot 141:sc= 0.248 USER MOD Single : A 99 GLN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.971 K(o=0.97,f=0) USER MOD Single : A 101 HEC O2A : rot 165:sc= 0.00554 USER MOD Single : A 101 HEC O2D : rot 100:sc= -0.0695 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.478 -0.098 -1.079 1.00 0.00 N ATOM 2 CA MET A 1 2.730 -0.398 -0.326 1.00 0.00 C ATOM 3 C MET A 1 3.753 -1.331 -1.045 1.00 0.00 C ATOM 4 O MET A 1 4.952 -1.132 -0.847 1.00 0.00 O ATOM 5 CB MET A 1 2.398 -0.897 1.107 1.00 0.00 C ATOM 6 CG MET A 1 1.834 0.171 2.066 1.00 0.00 C ATOM 7 SD MET A 1 1.515 -0.576 3.675 1.00 0.00 S ATOM 8 CE MET A 1 0.926 0.873 4.568 1.00 0.00 C ATOM 0 H1 MET A 1 0.873 0.528 -0.510 1.00 0.00 H new ATOM 0 H2 MET A 1 1.716 0.372 -1.976 1.00 0.00 H new ATOM 0 H3 MET A 1 0.971 -0.984 -1.277 1.00 0.00 H new ATOM 0 HA MET A 1 3.257 0.554 -0.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.677 -1.711 1.032 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.304 -1.314 1.547 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.542 0.993 2.169 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.914 0.591 1.659 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.680 0.594 5.592 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.704 1.636 4.577 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.037 1.267 4.076 1.00 0.00 H new ATOM 19 N ALA A 2 3.331 -2.343 -1.828 1.00 0.00 N ATOM 20 CA ALA A 2 4.262 -3.249 -2.558 1.00 0.00 C ATOM 21 C ALA A 2 4.280 -2.998 -4.101 1.00 0.00 C ATOM 22 O ALA A 2 3.792 -3.814 -4.891 1.00 0.00 O ATOM 23 CB ALA A 2 3.854 -4.688 -2.179 1.00 0.00 C ATOM 0 H ALA A 2 2.346 -2.561 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 2 5.293 -3.056 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.506 -5.397 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.946 -4.820 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.821 -4.865 -2.480 1.00 0.00 H new ATOM 29 N ASP A 3 4.886 -1.880 -4.538 1.00 0.00 N ATOM 30 CA ASP A 3 5.024 -1.543 -5.980 1.00 0.00 C ATOM 31 C ASP A 3 6.502 -1.798 -6.459 1.00 0.00 C ATOM 32 O ASP A 3 7.374 -0.988 -6.124 1.00 0.00 O ATOM 33 CB ASP A 3 4.524 -0.085 -6.181 1.00 0.00 C ATOM 34 CG ASP A 3 4.472 0.423 -7.625 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.060 -0.106 -8.566 1.00 0.00 O ATOM 36 OD2 ASP A 3 3.718 1.555 -7.735 1.00 0.00 O ATOM 0 H ASP A 3 5.294 -1.185 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 3 4.409 -2.187 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.524 -0.005 -5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.170 0.580 -5.608 1.00 0.00 H new ATOM 41 N PRO A 4 6.831 -2.846 -7.274 1.00 0.00 N ATOM 42 CA PRO A 4 8.206 -3.044 -7.820 1.00 0.00 C ATOM 43 C PRO A 4 8.705 -2.031 -8.910 1.00 0.00 C ATOM 44 O PRO A 4 9.908 -1.769 -8.981 1.00 0.00 O ATOM 45 CB PRO A 4 8.144 -4.508 -8.297 1.00 0.00 C ATOM 46 CG PRO A 4 6.679 -4.768 -8.655 1.00 0.00 C ATOM 47 CD PRO A 4 5.873 -3.887 -7.698 1.00 0.00 C ATOM 0 HA PRO A 4 8.966 -2.841 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.791 -4.666 -9.160 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.482 -5.189 -7.516 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.475 -4.510 -9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.424 -5.820 -8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.005 -3.452 -8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.502 -4.458 -6.847 1.00 0.00 H new ATOM 55 N ALA A 5 7.801 -1.423 -9.706 1.00 0.00 N ATOM 56 CA ALA A 5 8.133 -0.257 -10.578 1.00 0.00 C ATOM 57 C ALA A 5 8.532 1.072 -9.845 1.00 0.00 C ATOM 58 O ALA A 5 9.413 1.793 -10.318 1.00 0.00 O ATOM 59 CB ALA A 5 6.940 -0.057 -11.531 1.00 0.00 C ATOM 0 H ALA A 5 6.826 -1.717 -9.769 1.00 0.00 H new ATOM 0 HA ALA A 5 9.052 -0.499 -11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.139 0.788 -12.190 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.797 -0.957 -12.129 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.039 0.140 -10.950 1.00 0.00 H new ATOM 65 N ALA A 6 7.947 1.371 -8.671 1.00 0.00 N ATOM 66 CA ALA A 6 8.549 2.326 -7.699 1.00 0.00 C ATOM 67 C ALA A 6 9.836 1.826 -6.950 1.00 0.00 C ATOM 68 O ALA A 6 10.738 2.626 -6.694 1.00 0.00 O ATOM 69 CB ALA A 6 7.429 2.718 -6.720 1.00 0.00 C ATOM 0 H ALA A 6 7.060 0.971 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 6 8.929 3.181 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.819 3.420 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.612 3.186 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.061 1.826 -6.212 1.00 0.00 H new ATOM 75 N GLY A 7 9.951 0.524 -6.625 1.00 0.00 N ATOM 76 CA GLY A 7 11.165 -0.062 -5.991 1.00 0.00 C ATOM 77 C GLY A 7 12.487 -0.092 -6.787 1.00 0.00 C ATOM 78 O GLY A 7 13.552 0.009 -6.180 1.00 0.00 O ATOM 0 H GLY A 7 9.210 -0.157 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.350 0.486 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.927 -1.088 -5.711 1.00 0.00 H new ATOM 82 N GLU A 8 12.425 -0.179 -8.125 1.00 0.00 N ATOM 83 CA GLU A 8 13.586 0.159 -9.008 1.00 0.00 C ATOM 84 C GLU A 8 14.089 1.643 -8.937 1.00 0.00 C ATOM 85 O GLU A 8 15.298 1.882 -8.985 1.00 0.00 O ATOM 86 CB GLU A 8 13.325 -0.322 -10.463 1.00 0.00 C ATOM 87 CG GLU A 8 12.186 0.361 -11.256 1.00 0.00 C ATOM 88 CD GLU A 8 12.008 -0.180 -12.671 1.00 0.00 C ATOM 89 OE1 GLU A 8 11.134 -1.224 -12.722 1.00 0.00 O ATOM 90 OE2 GLU A 8 12.584 0.272 -13.654 1.00 0.00 O ATOM 0 H GLU A 8 11.592 -0.478 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 8 14.430 -0.398 -8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.249 -0.196 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.115 -1.391 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.251 0.237 -10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.385 1.431 -11.309 1.00 0.00 H new ATOM 97 N LYS A 9 13.178 2.622 -8.776 1.00 0.00 N ATOM 98 CA LYS A 9 13.524 4.048 -8.505 1.00 0.00 C ATOM 99 C LYS A 9 14.183 4.270 -7.102 1.00 0.00 C ATOM 100 O LYS A 9 15.226 4.921 -7.010 1.00 0.00 O ATOM 101 CB LYS A 9 12.238 4.912 -8.650 1.00 0.00 C ATOM 102 CG LYS A 9 11.427 4.779 -9.964 1.00 0.00 C ATOM 103 CD LYS A 9 11.850 5.707 -11.127 1.00 0.00 C ATOM 104 CE LYS A 9 11.217 7.112 -11.150 1.00 0.00 C ATOM 105 NZ LYS A 9 11.813 8.030 -10.160 1.00 0.00 N ATOM 0 H LYS A 9 12.173 2.454 -8.829 1.00 0.00 H new ATOM 0 HA LYS A 9 14.274 4.352 -9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.575 4.669 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.522 5.958 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.498 3.747 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.377 4.969 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.934 5.821 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.609 5.209 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.330 7.539 -12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.147 7.026 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.498 9.002 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.512 7.753 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.850 7.983 -10.223 1.00 0.00 H new ATOM 118 N VAL A 10 13.608 3.685 -6.030 1.00 0.00 N ATOM 119 CA VAL A 10 14.259 3.627 -4.677 1.00 0.00 C ATOM 120 C VAL A 10 15.616 2.815 -4.657 1.00 0.00 C ATOM 121 O VAL A 10 16.575 3.275 -4.030 1.00 0.00 O ATOM 122 CB VAL A 10 13.274 3.183 -3.533 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.822 3.534 -2.128 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.849 3.791 -3.567 1.00 0.00 C ATOM 0 H VAL A 10 12.690 3.241 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 10 14.533 4.659 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 10 13.202 2.112 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.110 3.210 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.775 3.028 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.967 4.612 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.269 3.407 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.915 4.877 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.359 3.518 -4.502 1.00 0.00 H new ATOM 134 N PHE A 11 15.755 1.678 -5.381 1.00 0.00 N ATOM 135 CA PHE A 11 17.087 1.069 -5.696 1.00 0.00 C ATOM 136 C PHE A 11 18.129 1.971 -6.453 1.00 0.00 C ATOM 137 O PHE A 11 19.330 1.742 -6.296 1.00 0.00 O ATOM 138 CB PHE A 11 16.872 -0.295 -6.413 1.00 0.00 C ATOM 139 CG PHE A 11 18.135 -1.179 -6.527 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.650 -1.797 -5.385 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.819 -1.309 -7.741 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.830 -2.531 -5.451 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.998 -2.054 -7.806 1.00 0.00 C ATOM 144 CZ PHE A 11 20.504 -2.663 -6.658 1.00 0.00 C ATOM 0 H PHE A 11 14.965 1.158 -5.762 1.00 0.00 H new ATOM 0 HA PHE A 11 17.569 0.932 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.104 -0.853 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.488 -0.105 -7.415 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.128 -1.704 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.434 -0.832 -8.630 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.223 -3.000 -4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.519 -2.159 -8.746 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.418 -3.236 -6.708 1.00 0.00 H new ATOM 154 N GLY A 12 17.718 3.024 -7.186 1.00 0.00 N ATOM 155 CA GLY A 12 18.635 4.129 -7.589 1.00 0.00 C ATOM 156 C GLY A 12 19.512 4.825 -6.502 1.00 0.00 C ATOM 157 O GLY A 12 20.640 5.229 -6.781 1.00 0.00 O ATOM 0 H GLY A 12 16.760 3.140 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.308 3.736 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.030 4.900 -8.066 1.00 0.00 H new ATOM 161 N LYS A 13 19.002 4.908 -5.264 1.00 0.00 N ATOM 162 CA LYS A 13 19.805 5.245 -4.046 1.00 0.00 C ATOM 163 C LYS A 13 20.872 4.161 -3.633 1.00 0.00 C ATOM 164 O LYS A 13 21.976 4.502 -3.204 1.00 0.00 O ATOM 165 CB LYS A 13 18.827 5.485 -2.855 1.00 0.00 C ATOM 166 CG LYS A 13 17.718 6.552 -3.030 1.00 0.00 C ATOM 167 CD LYS A 13 16.683 6.524 -1.883 1.00 0.00 C ATOM 168 CE LYS A 13 15.442 7.404 -2.122 1.00 0.00 C ATOM 169 NZ LYS A 13 15.757 8.845 -2.022 1.00 0.00 N ATOM 0 H LYS A 13 18.015 4.745 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 13 20.377 6.138 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.344 4.536 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.422 5.761 -1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.174 7.541 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.208 6.389 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.359 5.495 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.170 6.847 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.031 7.190 -3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.672 7.150 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.894 9.401 -2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.125 9.055 -1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.473 9.094 -2.734 1.00 0.00 H new ATOM 182 N CYS A 14 20.522 2.866 -3.740 1.00 0.00 N ATOM 183 CA CYS A 14 21.427 1.726 -3.453 1.00 0.00 C ATOM 184 C CYS A 14 22.512 1.402 -4.539 1.00 0.00 C ATOM 185 O CYS A 14 23.619 0.988 -4.177 1.00 0.00 O ATOM 186 CB CYS A 14 20.514 0.495 -3.240 1.00 0.00 C ATOM 187 SG CYS A 14 18.963 0.839 -2.358 1.00 0.00 S ATOM 0 H CYS A 14 19.590 2.573 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 14 22.020 1.999 -2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.275 0.065 -4.213 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.071 -0.261 -2.686 1.00 0.00 H new ATOM 192 N LYS A 15 22.205 1.551 -5.849 1.00 0.00 N ATOM 193 CA LYS A 15 23.098 1.096 -6.964 1.00 0.00 C ATOM 194 C LYS A 15 24.480 1.798 -7.193 1.00 0.00 C ATOM 195 O LYS A 15 25.299 1.285 -7.960 1.00 0.00 O ATOM 196 CB LYS A 15 22.277 0.978 -8.276 1.00 0.00 C ATOM 197 CG LYS A 15 21.868 2.304 -8.962 1.00 0.00 C ATOM 198 CD LYS A 15 21.134 2.157 -10.312 1.00 0.00 C ATOM 199 CE LYS A 15 19.820 1.355 -10.268 1.00 0.00 C ATOM 200 NZ LYS A 15 19.107 1.469 -11.554 1.00 0.00 N ATOM 0 H LYS A 15 21.340 1.985 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 15 23.446 0.126 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.857 0.391 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.370 0.413 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.228 2.863 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.765 2.903 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.919 3.153 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.808 1.678 -11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.032 0.308 -10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.188 1.724 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.223 0.923 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.888 2.468 -11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.706 1.096 -12.318 1.00 0.00 H new ATOM 213 N ALA A 16 24.789 2.906 -6.497 1.00 0.00 N ATOM 214 CA ALA A 16 26.199 3.338 -6.282 1.00 0.00 C ATOM 215 C ALA A 16 27.110 2.315 -5.514 1.00 0.00 C ATOM 216 O ALA A 16 28.283 2.162 -5.864 1.00 0.00 O ATOM 217 CB ALA A 16 26.136 4.707 -5.577 1.00 0.00 C ATOM 0 H ALA A 16 24.094 3.521 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 16 26.691 3.402 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.148 5.070 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.604 5.418 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.612 4.603 -4.627 1.00 0.00 H new ATOM 223 N CYS A 17 26.564 1.609 -4.505 1.00 0.00 N ATOM 224 CA CYS A 17 27.261 0.507 -3.799 1.00 0.00 C ATOM 225 C CYS A 17 26.866 -0.944 -4.257 1.00 0.00 C ATOM 226 O CYS A 17 27.767 -1.774 -4.407 1.00 0.00 O ATOM 227 CB CYS A 17 27.007 0.722 -2.293 1.00 0.00 C ATOM 228 SG CYS A 17 27.378 2.419 -1.747 1.00 0.00 S ATOM 0 H CYS A 17 25.623 1.785 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 17 28.321 0.555 -4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.965 0.493 -2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.617 0.021 -1.723 1.00 0.00 H new ATOM 233 N HIS A 18 25.564 -1.272 -4.424 1.00 0.00 N ATOM 234 CA HIS A 18 25.088 -2.673 -4.657 1.00 0.00 C ATOM 235 C HIS A 18 24.765 -2.981 -6.153 1.00 0.00 C ATOM 236 O HIS A 18 24.047 -2.228 -6.815 1.00 0.00 O ATOM 237 CB HIS A 18 23.811 -2.933 -3.819 1.00 0.00 C ATOM 238 CG HIS A 18 24.024 -3.084 -2.320 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.388 -4.263 -1.722 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.729 -2.129 -1.346 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.251 -3.938 -0.410 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.787 -2.675 -0.052 1.00 0.00 N ATOM 0 H HIS A 18 24.811 -0.584 -4.403 1.00 0.00 H new ATOM 0 HA HIS A 18 25.906 -3.327 -4.357 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.115 -2.111 -3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.332 -3.838 -4.192 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.681 -5.143 -2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.486 -1.099 -1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.502 -4.659 0.354 1.00 0.00 H new ATOM 250 N LYS A 19 25.243 -4.126 -6.673 1.00 0.00 N ATOM 251 CA LYS A 19 25.210 -4.406 -8.146 1.00 0.00 C ATOM 252 C LYS A 19 24.104 -5.384 -8.670 1.00 0.00 C ATOM 253 O LYS A 19 23.744 -5.284 -9.848 1.00 0.00 O ATOM 254 CB LYS A 19 26.619 -4.878 -8.620 1.00 0.00 C ATOM 255 CG LYS A 19 27.877 -4.037 -8.269 1.00 0.00 C ATOM 256 CD LYS A 19 28.041 -2.671 -8.973 1.00 0.00 C ATOM 257 CE LYS A 19 27.274 -1.514 -8.311 1.00 0.00 C ATOM 258 NZ LYS A 19 27.598 -0.227 -8.955 1.00 0.00 N ATOM 0 H LYS A 19 25.655 -4.873 -6.114 1.00 0.00 H new ATOM 0 HA LYS A 19 24.927 -3.451 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.777 -5.880 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.582 -4.969 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.876 -3.863 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 19 28.758 -4.639 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 19 29.101 -2.417 -9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 19 27.707 -2.767 -10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.202 -1.698 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.524 -1.467 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.860 0.470 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 28.516 0.115 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 27.647 -0.357 -9.986 1.00 0.00 H new ATOM 271 N LEU A 20 23.649 -6.386 -7.881 1.00 0.00 N ATOM 272 CA LEU A 20 22.702 -7.473 -8.330 1.00 0.00 C ATOM 273 C LEU A 20 23.321 -8.585 -9.229 1.00 0.00 C ATOM 274 O LEU A 20 23.001 -9.767 -9.083 1.00 0.00 O ATOM 275 CB LEU A 20 21.356 -6.986 -8.957 1.00 0.00 C ATOM 276 CG LEU A 20 20.445 -6.085 -8.091 1.00 0.00 C ATOM 277 CD1 LEU A 20 19.436 -5.347 -8.981 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.691 -6.880 -7.015 1.00 0.00 C ATOM 0 H LEU A 20 23.923 -6.477 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 20 22.471 -7.924 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 20 21.589 -6.445 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.782 -7.867 -9.244 1.00 0.00 H new ATOM 0 HG LEU A 20 21.092 -5.369 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.799 -4.715 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.971 -4.728 -9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.821 -6.073 -9.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.065 -6.203 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.064 -7.634 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.407 -7.369 -6.355 1.00 0.00 H new ATOM 290 N ASP A 21 24.179 -8.192 -10.173 1.00 0.00 N ATOM 291 CA ASP A 21 24.585 -9.041 -11.326 1.00 0.00 C ATOM 292 C ASP A 21 25.858 -9.896 -11.009 1.00 0.00 C ATOM 293 O ASP A 21 26.892 -9.780 -11.674 1.00 0.00 O ATOM 294 CB ASP A 21 24.732 -8.090 -12.548 1.00 0.00 C ATOM 295 CG ASP A 21 23.434 -7.492 -13.107 1.00 0.00 C ATOM 296 OD1 ASP A 21 23.007 -6.392 -12.410 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.854 -7.959 -14.082 1.00 0.00 O ATOM 0 H ASP A 21 24.621 -7.273 -10.171 1.00 0.00 H new ATOM 0 HA ASP A 21 23.832 -9.796 -11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.392 -7.270 -12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.229 -8.637 -13.349 1.00 0.00 H new ATOM 302 N GLY A 22 25.782 -10.737 -9.957 1.00 0.00 N ATOM 303 CA GLY A 22 26.945 -11.546 -9.477 1.00 0.00 C ATOM 304 C GLY A 22 28.237 -10.856 -8.951 1.00 0.00 C ATOM 305 O GLY A 22 29.211 -11.559 -8.682 1.00 0.00 O ATOM 0 H GLY A 22 24.929 -10.881 -9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.578 -12.190 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.242 -12.197 -10.299 1.00 0.00 H new ATOM 309 N ASN A 23 28.255 -9.522 -8.803 1.00 0.00 N ATOM 310 CA ASN A 23 29.445 -8.746 -8.353 1.00 0.00 C ATOM 311 C ASN A 23 29.089 -7.837 -7.131 1.00 0.00 C ATOM 312 O ASN A 23 27.926 -7.594 -6.791 1.00 0.00 O ATOM 313 CB ASN A 23 30.015 -7.905 -9.532 1.00 0.00 C ATOM 314 CG ASN A 23 30.617 -8.674 -10.714 1.00 0.00 C ATOM 315 OD1 ASN A 23 31.810 -8.946 -10.757 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.846 -9.032 -11.712 1.00 0.00 N ATOM 0 H ASN A 23 27.441 -8.937 -8.992 1.00 0.00 H new ATOM 0 HA ASN A 23 30.214 -9.447 -8.029 1.00 0.00 H new ATOM 0 HB2 ASN A 23 29.214 -7.272 -9.914 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.783 -7.242 -9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 23 30.242 -9.530 -12.509 1.00 0.00 H new ATOM 0 HD22 ASN A 23 28.850 -8.813 -11.691 1.00 0.00 H new ATOM 323 N ASP A 24 30.133 -7.340 -6.456 1.00 0.00 N ATOM 324 CA ASP A 24 29.997 -6.685 -5.121 1.00 0.00 C ATOM 325 C ASP A 24 30.499 -5.208 -5.182 1.00 0.00 C ATOM 326 O ASP A 24 29.688 -4.289 -5.312 1.00 0.00 O ATOM 327 CB ASP A 24 30.635 -7.587 -4.014 1.00 0.00 C ATOM 328 CG ASP A 24 30.160 -9.048 -3.886 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.846 -9.214 -4.208 1.00 0.00 O ATOM 330 OD2 ASP A 24 30.895 -9.968 -3.547 1.00 0.00 O ATOM 0 H ASP A 24 31.092 -7.373 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 24 28.949 -6.597 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.712 -7.603 -4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.468 -7.100 -3.053 1.00 0.00 H new ATOM 335 N GLY A 25 31.821 -4.968 -5.113 1.00 0.00 N ATOM 336 CA GLY A 25 32.391 -3.593 -5.170 1.00 0.00 C ATOM 337 C GLY A 25 32.478 -2.913 -3.793 1.00 0.00 C ATOM 338 O GLY A 25 33.452 -3.106 -3.065 1.00 0.00 O ATOM 0 H GLY A 25 32.522 -5.703 -5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 25 33.388 -3.638 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 25 31.779 -2.981 -5.832 1.00 0.00 H new ATOM 342 N VAL A 26 31.435 -2.148 -3.443 1.00 0.00 N ATOM 343 CA VAL A 26 31.220 -1.677 -2.038 1.00 0.00 C ATOM 344 C VAL A 26 30.179 -2.617 -1.347 1.00 0.00 C ATOM 345 O VAL A 26 30.531 -3.301 -0.384 1.00 0.00 O ATOM 346 CB VAL A 26 30.872 -0.146 -1.952 1.00 0.00 C ATOM 347 CG1 VAL A 26 30.667 0.353 -0.502 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.930 0.780 -2.592 1.00 0.00 C ATOM 0 H VAL A 26 30.720 -1.835 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 26 32.155 -1.750 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 26 29.941 -0.084 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.430 1.417 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.847 -0.197 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.580 0.191 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.614 1.818 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.887 0.641 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 26 32.036 0.535 -3.649 1.00 0.00 H new ATOM 358 N GLY A 27 28.915 -2.643 -1.812 1.00 0.00 N ATOM 359 CA GLY A 27 27.864 -3.502 -1.226 1.00 0.00 C ATOM 360 C GLY A 27 27.686 -4.870 -1.940 1.00 0.00 C ATOM 361 O GLY A 27 27.667 -4.891 -3.175 1.00 0.00 O ATOM 0 H GLY A 27 28.594 -2.076 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.100 -3.681 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 27 26.916 -2.965 -1.252 1.00 0.00 H new ATOM 365 N PRO A 28 27.490 -6.026 -1.244 1.00 0.00 N ATOM 366 CA PRO A 28 27.316 -7.342 -1.911 1.00 0.00 C ATOM 367 C PRO A 28 25.993 -7.511 -2.720 1.00 0.00 C ATOM 368 O PRO A 28 24.954 -6.944 -2.373 1.00 0.00 O ATOM 369 CB PRO A 28 27.432 -8.316 -0.722 1.00 0.00 C ATOM 370 CG PRO A 28 26.973 -7.524 0.502 1.00 0.00 C ATOM 371 CD PRO A 28 27.446 -6.103 0.225 1.00 0.00 C ATOM 0 HA PRO A 28 28.052 -7.505 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.809 -9.198 -0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.457 -8.667 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.890 -7.567 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.411 -7.918 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.762 -5.365 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.425 -5.915 0.665 1.00 0.00 H new ATOM 379 N HIS A 29 26.035 -8.316 -3.796 1.00 0.00 N ATOM 380 CA HIS A 29 24.872 -8.533 -4.705 1.00 0.00 C ATOM 381 C HIS A 29 23.531 -8.952 -4.007 1.00 0.00 C ATOM 382 O HIS A 29 23.466 -9.942 -3.270 1.00 0.00 O ATOM 383 CB HIS A 29 25.261 -9.493 -5.868 1.00 0.00 C ATOM 384 CG HIS A 29 25.862 -10.868 -5.540 1.00 0.00 C ATOM 385 ND1 HIS A 29 25.135 -12.019 -5.211 1.00 0.00 N flip ATOM 386 CD2 HIS A 29 27.208 -11.171 -5.695 1.00 0.00 C flip ATOM 387 CE1 HIS A 29 25.968 -13.121 -5.167 1.00 0.00 C flip ATOM 388 NE2 HIS A 29 27.157 -12.524 -5.484 1.00 0.00 N flip ATOM 0 H HIS A 29 26.868 -8.837 -4.068 1.00 0.00 H new ATOM 0 HA HIS A 29 24.640 -7.550 -5.115 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.366 -9.661 -6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 29 25.974 -8.967 -6.502 1.00 0.00 H new ATOM 0 HD2 HIS A 29 28.048 -10.529 -5.917 1.00 0.00 H new ATOM 0 HE1 HIS A 29 25.745 -14.154 -4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 29 28.005 -13.085 -5.563 1.00 0.00 H new ATOM 396 N LEU A 30 22.463 -8.168 -4.230 1.00 0.00 N ATOM 397 CA LEU A 30 21.156 -8.337 -3.519 1.00 0.00 C ATOM 398 C LEU A 30 20.088 -9.231 -4.243 1.00 0.00 C ATOM 399 O LEU A 30 18.907 -9.199 -3.888 1.00 0.00 O ATOM 400 CB LEU A 30 20.616 -6.913 -3.186 1.00 0.00 C ATOM 401 CG LEU A 30 21.418 -6.040 -2.186 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.665 -4.726 -1.932 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.715 -6.711 -0.832 1.00 0.00 C ATOM 0 H LEU A 30 22.467 -7.400 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 30 21.349 -8.910 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.537 -6.360 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.605 -7.024 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 30 22.385 -5.870 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.229 -4.113 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.548 -4.186 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.682 -4.945 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.279 -6.024 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.777 -6.968 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.299 -7.616 -0.995 1.00 0.00 H new ATOM 415 N ASN A 31 20.515 -10.071 -5.205 1.00 0.00 N ATOM 416 CA ASN A 31 19.638 -11.015 -5.952 1.00 0.00 C ATOM 417 C ASN A 31 18.890 -12.051 -5.041 1.00 0.00 C ATOM 418 O ASN A 31 19.489 -12.959 -4.453 1.00 0.00 O ATOM 419 CB ASN A 31 20.447 -11.639 -7.128 1.00 0.00 C ATOM 420 CG ASN A 31 21.721 -12.455 -6.833 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.594 -12.598 -7.800 1.00 0.00 O flip ATOM 422 ND2 ASN A 31 21.968 -12.959 -5.743 1.00 0.00 N flip ATOM 0 H ASN A 31 21.492 -10.120 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 31 18.808 -10.454 -6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.768 -12.286 -7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.729 -10.825 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 31 21.305 -12.862 -4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.837 -13.475 -5.605 1.00 0.00 H new ATOM 429 N GLY A 32 17.577 -11.834 -4.849 1.00 0.00 N ATOM 430 CA GLY A 32 16.765 -12.616 -3.880 1.00 0.00 C ATOM 431 C GLY A 32 17.087 -12.452 -2.380 1.00 0.00 C ATOM 432 O GLY A 32 16.991 -13.428 -1.638 1.00 0.00 O ATOM 0 H GLY A 32 17.047 -11.122 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.718 -12.352 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.867 -13.672 -4.132 1.00 0.00 H new ATOM 436 N VAL A 33 17.438 -11.235 -1.926 1.00 0.00 N ATOM 437 CA VAL A 33 17.758 -10.975 -0.481 1.00 0.00 C ATOM 438 C VAL A 33 16.560 -11.080 0.538 1.00 0.00 C ATOM 439 O VAL A 33 16.787 -11.394 1.710 1.00 0.00 O ATOM 440 CB VAL A 33 18.640 -9.689 -0.326 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.882 -8.365 -0.542 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.375 -9.622 1.032 1.00 0.00 C ATOM 0 H VAL A 33 17.511 -10.411 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 33 18.359 -11.827 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 33 19.368 -9.792 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.569 -7.528 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.466 -8.344 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.075 -8.285 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.969 -8.709 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.645 -9.622 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.030 -10.487 1.134 1.00 0.00 H new ATOM 452 N VAL A 34 15.305 -10.858 0.102 1.00 0.00 N ATOM 453 CA VAL A 34 14.084 -11.075 0.939 1.00 0.00 C ATOM 454 C VAL A 34 13.857 -12.617 1.126 1.00 0.00 C ATOM 455 O VAL A 34 13.488 -13.324 0.184 1.00 0.00 O ATOM 456 CB VAL A 34 12.837 -10.349 0.321 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.592 -10.444 1.235 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.038 -8.847 0.003 1.00 0.00 C ATOM 0 H VAL A 34 15.097 -10.523 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 34 14.229 -10.632 1.924 1.00 0.00 H new ATOM 0 HB VAL A 34 12.693 -10.886 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.755 -9.927 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.332 -11.491 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.811 -9.980 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.120 -8.439 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.286 -8.311 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.850 -8.733 -0.715 1.00 0.00 H new ATOM 468 N GLY A 35 14.137 -13.130 2.335 1.00 0.00 N ATOM 469 CA GLY A 35 14.321 -14.594 2.560 1.00 0.00 C ATOM 470 C GLY A 35 15.728 -15.212 2.326 1.00 0.00 C ATOM 471 O GLY A 35 15.812 -16.411 2.059 1.00 0.00 O ATOM 0 H GLY A 35 14.243 -12.564 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.032 -14.810 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.617 -15.119 1.914 1.00 0.00 H new ATOM 475 N ARG A 36 16.814 -14.435 2.468 1.00 0.00 N ATOM 476 CA ARG A 36 18.220 -14.933 2.385 1.00 0.00 C ATOM 477 C ARG A 36 18.987 -14.594 3.702 1.00 0.00 C ATOM 478 O ARG A 36 18.703 -13.577 4.349 1.00 0.00 O ATOM 479 CB ARG A 36 18.871 -14.253 1.150 1.00 0.00 C ATOM 480 CG ARG A 36 20.180 -14.884 0.614 1.00 0.00 C ATOM 481 CD ARG A 36 20.732 -14.199 -0.656 1.00 0.00 C ATOM 482 NE ARG A 36 21.409 -12.915 -0.331 1.00 0.00 N ATOM 483 CZ ARG A 36 21.916 -12.070 -1.227 1.00 0.00 C ATOM 484 NH1 ARG A 36 21.744 -12.176 -2.523 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.630 -11.070 -0.800 1.00 0.00 N ATOM 0 H ARG A 36 16.753 -13.432 2.646 1.00 0.00 H new ATOM 0 HA ARG A 36 18.254 -16.017 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.141 -14.247 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.074 -13.212 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 36 20.938 -14.842 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.002 -15.938 0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.435 -14.866 -1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.916 -14.015 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 36 21.491 -12.662 0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.191 -12.944 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.163 -11.490 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.790 -10.948 0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.030 -10.408 -1.465 1.00 0.00 H new ATOM 499 N THR A 37 19.982 -15.415 4.105 1.00 0.00 N ATOM 500 CA THR A 37 20.687 -15.220 5.410 1.00 0.00 C ATOM 501 C THR A 37 21.416 -13.844 5.581 1.00 0.00 C ATOM 502 O THR A 37 21.903 -13.237 4.619 1.00 0.00 O ATOM 503 CB THR A 37 21.524 -16.468 5.835 1.00 0.00 C ATOM 504 OG1 THR A 37 21.473 -16.607 7.252 1.00 0.00 O ATOM 505 CG2 THR A 37 23.012 -16.416 5.459 1.00 0.00 C ATOM 0 H THR A 37 20.318 -16.210 3.561 1.00 0.00 H new ATOM 0 HA THR A 37 19.889 -15.143 6.149 1.00 0.00 H new ATOM 0 HB THR A 37 21.074 -17.301 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.564 -16.418 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.505 -17.327 5.797 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.111 -16.330 4.377 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.478 -15.553 5.936 1.00 0.00 H new ATOM 513 N VAL A 38 21.512 -13.383 6.837 1.00 0.00 N ATOM 514 CA VAL A 38 22.290 -12.170 7.197 1.00 0.00 C ATOM 515 C VAL A 38 23.809 -12.557 7.259 1.00 0.00 C ATOM 516 O VAL A 38 24.217 -13.431 8.028 1.00 0.00 O ATOM 517 CB VAL A 38 21.721 -11.502 8.498 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.410 -10.149 8.811 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.186 -11.289 8.511 1.00 0.00 C ATOM 0 H VAL A 38 21.059 -13.831 7.633 1.00 0.00 H new ATOM 0 HA VAL A 38 22.191 -11.396 6.436 1.00 0.00 H new ATOM 0 HB VAL A 38 21.951 -12.234 9.273 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.983 -9.725 9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.479 -10.309 8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.253 -9.460 7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.891 -10.822 9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.901 -10.643 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.684 -12.251 8.411 1.00 0.00 H new ATOM 529 N ALA A 39 24.605 -11.957 6.352 1.00 0.00 N ATOM 530 CA ALA A 39 25.854 -12.565 5.802 1.00 0.00 C ATOM 531 C ALA A 39 25.617 -13.729 4.779 1.00 0.00 C ATOM 532 O ALA A 39 26.033 -14.869 5.003 1.00 0.00 O ATOM 533 CB ALA A 39 26.934 -12.846 6.868 1.00 0.00 C ATOM 0 H ALA A 39 24.407 -11.031 5.972 1.00 0.00 H new ATOM 0 HA ALA A 39 26.290 -11.779 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.810 -13.287 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.217 -11.912 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.539 -13.538 7.612 1.00 0.00 H new ATOM 539 N GLY A 40 24.974 -13.426 3.632 1.00 0.00 N ATOM 540 CA GLY A 40 24.641 -14.449 2.599 1.00 0.00 C ATOM 541 C GLY A 40 25.188 -14.213 1.176 1.00 0.00 C ATOM 542 O GLY A 40 24.426 -14.297 0.210 1.00 0.00 O ATOM 0 H GLY A 40 24.672 -12.482 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.009 -15.414 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 40 23.556 -14.526 2.536 1.00 0.00 H new ATOM 546 N VAL A 41 26.503 -13.984 1.050 1.00 0.00 N ATOM 547 CA VAL A 41 27.232 -13.976 -0.256 1.00 0.00 C ATOM 548 C VAL A 41 28.624 -14.629 0.028 1.00 0.00 C ATOM 549 O VAL A 41 29.497 -14.012 0.652 1.00 0.00 O ATOM 550 CB VAL A 41 27.323 -12.546 -0.912 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.302 -12.452 -2.106 1.00 0.00 C ATOM 552 CG2 VAL A 41 25.952 -12.038 -1.417 1.00 0.00 C ATOM 0 H VAL A 41 27.108 -13.796 1.849 1.00 0.00 H new ATOM 0 HA VAL A 41 26.689 -14.547 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 41 27.695 -11.926 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.303 -11.434 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.307 -12.714 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.988 -13.141 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.071 -11.049 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.562 -12.727 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.255 -11.980 -0.581 1.00 0.00 H new ATOM 562 N ASP A 42 28.850 -15.862 -0.465 1.00 0.00 N ATOM 563 CA ASP A 42 30.153 -16.575 -0.307 1.00 0.00 C ATOM 564 C ASP A 42 31.245 -15.960 -1.245 1.00 0.00 C ATOM 565 O ASP A 42 31.250 -16.190 -2.459 1.00 0.00 O ATOM 566 CB ASP A 42 29.951 -18.092 -0.568 1.00 0.00 C ATOM 567 CG ASP A 42 29.125 -18.829 0.487 1.00 0.00 C ATOM 568 OD1 ASP A 42 29.593 -19.284 1.524 1.00 0.00 O ATOM 569 OD2 ASP A 42 27.809 -18.917 0.148 1.00 0.00 O ATOM 0 H ASP A 42 28.149 -16.395 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 42 30.510 -16.450 0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 42 29.468 -18.217 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 42 30.930 -18.566 -0.637 1.00 0.00 H new ATOM 574 N GLY A 43 32.121 -15.122 -0.671 1.00 0.00 N ATOM 575 CA GLY A 43 32.967 -14.187 -1.466 1.00 0.00 C ATOM 576 C GLY A 43 33.228 -12.813 -0.809 1.00 0.00 C ATOM 577 O GLY A 43 34.373 -12.360 -0.790 1.00 0.00 O ATOM 0 H GLY A 43 32.270 -15.064 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.926 -14.667 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.490 -14.025 -2.433 1.00 0.00 H new ATOM 581 N PHE A 44 32.181 -12.135 -0.305 1.00 0.00 N ATOM 582 CA PHE A 44 32.319 -10.800 0.338 1.00 0.00 C ATOM 583 C PHE A 44 32.829 -10.876 1.821 1.00 0.00 C ATOM 584 O PHE A 44 32.408 -11.729 2.611 1.00 0.00 O ATOM 585 CB PHE A 44 30.944 -10.084 0.197 1.00 0.00 C ATOM 586 CG PHE A 44 30.937 -8.616 0.661 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.428 -7.605 -0.172 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.523 -8.295 1.958 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.519 -6.295 0.294 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.630 -6.990 2.426 1.00 0.00 C ATOM 591 CZ PHE A 44 31.128 -5.991 1.597 1.00 0.00 C ATOM 0 H PHE A 44 31.223 -12.485 -0.327 1.00 0.00 H new ATOM 0 HA PHE A 44 33.095 -10.222 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.634 -10.123 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.200 -10.637 0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.738 -7.841 -1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.118 -9.064 2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.892 -5.516 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.326 -6.752 3.435 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.212 -4.978 1.963 1.00 0.00 H new ATOM 601 N ASN A 45 33.692 -9.916 2.209 1.00 0.00 N ATOM 602 CA ASN A 45 34.160 -9.762 3.614 1.00 0.00 C ATOM 603 C ASN A 45 33.088 -9.050 4.513 1.00 0.00 C ATOM 604 O ASN A 45 33.066 -7.822 4.648 1.00 0.00 O ATOM 605 CB ASN A 45 35.527 -9.025 3.554 1.00 0.00 C ATOM 606 CG ASN A 45 36.299 -8.991 4.878 1.00 0.00 C ATOM 607 OD1 ASN A 45 37.036 -9.908 5.221 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.156 -7.952 5.665 1.00 0.00 N ATOM 0 H ASN A 45 34.086 -9.227 1.568 1.00 0.00 H new ATOM 0 HA ASN A 45 34.298 -10.730 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.150 -9.505 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.357 -8.001 3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.656 -7.912 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 45 35.545 -7.183 5.389 1.00 0.00 H new ATOM 615 N TYR A 46 32.218 -9.851 5.146 1.00 0.00 N ATOM 616 CA TYR A 46 31.177 -9.345 6.087 1.00 0.00 C ATOM 617 C TYR A 46 31.741 -8.936 7.488 1.00 0.00 C ATOM 618 O TYR A 46 32.801 -9.407 7.917 1.00 0.00 O ATOM 619 CB TYR A 46 30.074 -10.445 6.209 1.00 0.00 C ATOM 620 CG TYR A 46 29.091 -10.496 5.022 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.028 -9.589 4.936 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.272 -11.434 4.001 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.172 -9.607 3.836 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.411 -11.456 2.908 1.00 0.00 C ATOM 625 CZ TYR A 46 27.360 -10.549 2.826 1.00 0.00 C ATOM 626 OH TYR A 46 26.511 -10.609 1.753 1.00 0.00 O ATOM 0 H TYR A 46 32.206 -10.864 5.029 1.00 0.00 H new ATOM 0 HA TYR A 46 30.761 -8.422 5.683 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.557 -11.417 6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.509 -10.276 7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.870 -8.871 5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.083 -12.144 4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.365 -8.893 3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.560 -12.180 2.121 1.00 0.00 H new ATOM 0 HH TYR A 46 25.681 -10.132 1.965 1.00 0.00 H new ATOM 636 N SER A 47 31.010 -8.076 8.229 1.00 0.00 N ATOM 637 CA SER A 47 31.368 -7.749 9.639 1.00 0.00 C ATOM 638 C SER A 47 31.045 -8.900 10.653 1.00 0.00 C ATOM 639 O SER A 47 30.204 -9.767 10.393 1.00 0.00 O ATOM 640 CB SER A 47 30.728 -6.387 10.016 1.00 0.00 C ATOM 641 OG SER A 47 29.334 -6.462 10.318 1.00 0.00 O ATOM 0 H SER A 47 30.177 -7.597 7.886 1.00 0.00 H new ATOM 0 HA SER A 47 32.452 -7.654 9.709 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.254 -5.977 10.878 1.00 0.00 H new ATOM 0 HB3 SER A 47 30.873 -5.689 9.192 1.00 0.00 H new ATOM 0 HG SER A 47 29.126 -5.853 11.057 1.00 0.00 H new ATOM 647 N ASP A 48 31.699 -8.895 11.833 1.00 0.00 N ATOM 648 CA ASP A 48 31.414 -9.883 12.920 1.00 0.00 C ATOM 649 C ASP A 48 29.913 -9.964 13.398 1.00 0.00 C ATOM 650 O ASP A 48 29.389 -11.082 13.385 1.00 0.00 O ATOM 651 CB ASP A 48 32.401 -9.664 14.102 1.00 0.00 C ATOM 652 CG ASP A 48 32.794 -10.954 14.817 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.745 -11.654 14.489 1.00 0.00 O ATOM 654 OD2 ASP A 48 31.962 -11.246 15.855 1.00 0.00 O ATOM 0 H ASP A 48 32.429 -8.222 12.067 1.00 0.00 H new ATOM 0 HA ASP A 48 31.580 -10.866 12.479 1.00 0.00 H new ATOM 0 HB2 ASP A 48 33.301 -9.177 13.727 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.947 -8.983 14.822 1.00 0.00 H new ATOM 659 N PRO A 49 29.172 -8.872 13.767 1.00 0.00 N ATOM 660 CA PRO A 49 27.708 -8.946 14.034 1.00 0.00 C ATOM 661 C PRO A 49 26.757 -9.152 12.803 1.00 0.00 C ATOM 662 O PRO A 49 25.606 -9.545 13.004 1.00 0.00 O ATOM 663 CB PRO A 49 27.483 -7.644 14.822 1.00 0.00 C ATOM 664 CG PRO A 49 28.508 -6.657 14.265 1.00 0.00 C ATOM 665 CD PRO A 49 29.697 -7.493 13.809 1.00 0.00 C ATOM 0 HA PRO A 49 27.434 -9.855 14.570 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.467 -7.274 14.689 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.627 -7.801 15.891 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.090 -6.089 13.434 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.808 -5.936 15.026 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.057 -7.174 12.831 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.534 -7.406 14.501 1.00 0.00 H new ATOM 673 N MET A 50 27.218 -8.972 11.547 1.00 0.00 N ATOM 674 CA MET A 50 26.564 -9.556 10.344 1.00 0.00 C ATOM 675 C MET A 50 26.504 -11.124 10.352 1.00 0.00 C ATOM 676 O MET A 50 25.415 -11.702 10.353 1.00 0.00 O ATOM 677 CB MET A 50 27.314 -8.992 9.098 1.00 0.00 C ATOM 678 CG MET A 50 26.568 -7.919 8.310 1.00 0.00 C ATOM 679 SD MET A 50 25.038 -8.581 7.653 1.00 0.00 S ATOM 680 CE MET A 50 24.373 -7.029 7.063 1.00 0.00 C ATOM 0 H MET A 50 28.050 -8.421 11.333 1.00 0.00 H new ATOM 0 HA MET A 50 25.514 -9.264 10.327 1.00 0.00 H new ATOM 0 HB2 MET A 50 28.268 -8.579 9.426 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.539 -9.820 8.426 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.356 -7.066 8.955 1.00 0.00 H new ATOM 0 HG3 MET A 50 27.194 -7.555 7.495 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.400 -7.201 6.604 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.263 -6.339 7.900 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.051 -6.600 6.326 1.00 0.00 H new ATOM 690 N LYS A 51 27.669 -11.797 10.384 1.00 0.00 N ATOM 691 CA LYS A 51 27.761 -13.284 10.484 1.00 0.00 C ATOM 692 C LYS A 51 27.318 -13.937 11.838 1.00 0.00 C ATOM 693 O LYS A 51 26.734 -15.023 11.807 1.00 0.00 O ATOM 694 CB LYS A 51 29.150 -13.738 9.958 1.00 0.00 C ATOM 695 CG LYS A 51 30.382 -13.252 10.757 1.00 0.00 C ATOM 696 CD LYS A 51 31.750 -13.540 10.107 1.00 0.00 C ATOM 697 CE LYS A 51 32.059 -12.608 8.922 1.00 0.00 C ATOM 698 NZ LYS A 51 33.432 -12.818 8.429 1.00 0.00 N ATOM 0 H LYS A 51 28.578 -11.335 10.342 1.00 0.00 H new ATOM 0 HA LYS A 51 26.984 -13.689 9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 51 29.167 -14.828 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.254 -13.395 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.292 -12.177 10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.362 -13.719 11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.533 -13.435 10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 51 31.773 -14.575 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.348 -12.790 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.934 -11.570 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 33.616 -12.178 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.109 -12.621 9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 33.541 -13.803 8.115 1.00 0.00 H new ATOM 711 N ALA A 52 27.512 -13.282 13.001 1.00 0.00 N ATOM 712 CA ALA A 52 26.824 -13.671 14.266 1.00 0.00 C ATOM 713 C ALA A 52 25.272 -13.435 14.356 1.00 0.00 C ATOM 714 O ALA A 52 24.629 -14.079 15.189 1.00 0.00 O ATOM 715 CB ALA A 52 27.581 -12.987 15.418 1.00 0.00 C ATOM 0 H ALA A 52 28.137 -12.482 13.098 1.00 0.00 H new ATOM 0 HA ALA A 52 26.867 -14.759 14.320 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.110 -13.245 16.367 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.617 -13.325 15.424 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.553 -11.906 15.281 1.00 0.00 H new ATOM 721 N HIS A 53 24.651 -12.589 13.502 1.00 0.00 N ATOM 722 CA HIS A 53 23.178 -12.624 13.256 1.00 0.00 C ATOM 723 C HIS A 53 22.743 -13.936 12.513 1.00 0.00 C ATOM 724 O HIS A 53 22.018 -14.744 13.101 1.00 0.00 O ATOM 725 CB HIS A 53 22.749 -11.290 12.566 1.00 0.00 C ATOM 726 CG HIS A 53 21.245 -10.981 12.445 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.253 -11.902 12.120 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.691 -9.687 12.516 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.172 -11.064 12.045 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.332 -9.723 12.260 1.00 0.00 N ATOM 0 H HIS A 53 25.141 -11.871 12.968 1.00 0.00 H new ATOM 0 HA HIS A 53 22.633 -12.676 14.198 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.214 -10.469 13.112 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.171 -11.285 11.561 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.250 -8.791 12.740 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.194 -11.462 11.816 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.647 -8.967 12.238 1.00 0.00 H new ATOM 738 N GLY A 54 23.161 -14.154 11.247 1.00 0.00 N ATOM 739 CA GLY A 54 22.713 -15.330 10.451 1.00 0.00 C ATOM 740 C GLY A 54 21.210 -15.311 10.091 1.00 0.00 C ATOM 741 O GLY A 54 20.710 -14.322 9.555 1.00 0.00 O ATOM 0 H GLY A 54 23.805 -13.537 10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.296 -15.376 9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.930 -16.239 11.012 1.00 0.00 H new ATOM 745 N GLY A 55 20.475 -16.402 10.361 1.00 0.00 N ATOM 746 CA GLY A 55 18.988 -16.414 10.228 1.00 0.00 C ATOM 747 C GLY A 55 18.462 -16.114 8.807 1.00 0.00 C ATOM 748 O GLY A 55 18.948 -16.726 7.851 1.00 0.00 O ATOM 0 H GLY A 55 20.873 -17.288 10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.617 -17.391 10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.570 -15.681 10.917 1.00 0.00 H new ATOM 752 N ASP A 56 17.534 -15.147 8.661 1.00 0.00 N ATOM 753 CA ASP A 56 17.171 -14.586 7.330 1.00 0.00 C ATOM 754 C ASP A 56 16.720 -13.093 7.365 1.00 0.00 C ATOM 755 O ASP A 56 16.108 -12.613 8.326 1.00 0.00 O ATOM 756 CB ASP A 56 16.074 -15.437 6.627 1.00 0.00 C ATOM 757 CG ASP A 56 16.516 -16.780 6.047 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.083 -16.894 4.966 1.00 0.00 O ATOM 759 OD2 ASP A 56 16.208 -17.824 6.871 1.00 0.00 O ATOM 0 H ASP A 56 17.021 -14.735 9.440 1.00 0.00 H new ATOM 0 HA ASP A 56 18.097 -14.627 6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.275 -15.622 7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.646 -14.842 5.820 1.00 0.00 H new ATOM 764 N TRP A 57 16.940 -12.394 6.232 1.00 0.00 N ATOM 765 CA TRP A 57 16.349 -11.059 5.969 1.00 0.00 C ATOM 766 C TRP A 57 14.846 -11.133 5.540 1.00 0.00 C ATOM 767 O TRP A 57 14.508 -11.203 4.356 1.00 0.00 O ATOM 768 CB TRP A 57 17.236 -10.311 4.924 1.00 0.00 C ATOM 769 CG TRP A 57 18.433 -9.517 5.467 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.765 -9.638 5.009 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.484 -8.617 6.528 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.648 -8.847 5.772 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.840 -8.266 6.732 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.486 -8.162 7.437 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.221 -7.566 7.897 1.00 0.00 C ATOM 776 CZ3 TRP A 57 17.886 -7.451 8.565 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.235 -7.180 8.803 1.00 0.00 C ATOM 0 H TRP A 57 17.530 -12.735 5.474 1.00 0.00 H new ATOM 0 HA TRP A 57 16.342 -10.491 6.899 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.612 -11.045 4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.598 -9.624 4.368 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.068 -10.259 4.179 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.653 -8.730 5.645 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.441 -8.364 7.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.259 -7.333 8.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.142 -7.104 9.267 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.520 -6.661 9.707 1.00 0.00 H new ATOM 788 N THR A 58 13.944 -11.085 6.529 1.00 0.00 N ATOM 789 CA THR A 58 12.463 -11.090 6.310 1.00 0.00 C ATOM 790 C THR A 58 11.890 -9.694 5.840 1.00 0.00 C ATOM 791 O THR A 58 12.531 -8.671 6.121 1.00 0.00 O ATOM 792 CB THR A 58 11.763 -11.589 7.620 1.00 0.00 C ATOM 793 OG1 THR A 58 12.079 -10.762 8.736 1.00 0.00 O ATOM 794 CG2 THR A 58 12.078 -13.038 8.030 1.00 0.00 C ATOM 0 H THR A 58 14.206 -11.041 7.514 1.00 0.00 H new ATOM 0 HA THR A 58 12.247 -11.772 5.488 1.00 0.00 H new ATOM 0 HB THR A 58 10.705 -11.537 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.624 -11.102 9.534 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.543 -13.281 8.948 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.764 -13.717 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.150 -13.144 8.196 1.00 0.00 H new ATOM 802 N PRO A 59 10.689 -9.561 5.182 1.00 0.00 N ATOM 803 CA PRO A 59 10.127 -8.229 4.752 1.00 0.00 C ATOM 804 C PRO A 59 9.561 -7.268 5.871 1.00 0.00 C ATOM 805 O PRO A 59 8.496 -6.655 5.760 1.00 0.00 O ATOM 806 CB PRO A 59 9.064 -8.691 3.729 1.00 0.00 C ATOM 807 CG PRO A 59 8.591 -10.058 4.218 1.00 0.00 C ATOM 808 CD PRO A 59 9.865 -10.711 4.744 1.00 0.00 C ATOM 0 HA PRO A 59 10.904 -7.567 4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.235 -7.985 3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.487 -8.758 2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.836 -9.965 4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.146 -10.640 3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.656 -11.392 5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.367 -11.292 3.970 1.00 0.00 H new ATOM 816 N GLU A 60 10.341 -7.129 6.945 1.00 0.00 N ATOM 817 CA GLU A 60 9.914 -6.630 8.278 1.00 0.00 C ATOM 818 C GLU A 60 11.194 -6.324 9.127 1.00 0.00 C ATOM 819 O GLU A 60 11.444 -5.162 9.457 1.00 0.00 O ATOM 820 CB GLU A 60 8.879 -7.578 8.951 1.00 0.00 C ATOM 821 CG GLU A 60 9.266 -9.061 9.193 1.00 0.00 C ATOM 822 CD GLU A 60 8.100 -9.940 9.634 1.00 0.00 C ATOM 823 OE1 GLU A 60 7.778 -10.113 10.804 1.00 0.00 O ATOM 824 OE2 GLU A 60 7.460 -10.519 8.580 1.00 0.00 O ATOM 0 H GLU A 60 11.332 -7.368 6.921 1.00 0.00 H new ATOM 0 HA GLU A 60 9.365 -5.694 8.181 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.614 -7.145 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.977 -7.569 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.690 -9.470 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.047 -9.103 9.952 1.00 0.00 H new ATOM 831 N ALA A 61 12.074 -7.327 9.356 1.00 0.00 N ATOM 832 CA ALA A 61 13.513 -7.096 9.663 1.00 0.00 C ATOM 833 C ALA A 61 14.296 -6.221 8.624 1.00 0.00 C ATOM 834 O ALA A 61 14.978 -5.286 9.047 1.00 0.00 O ATOM 835 CB ALA A 61 14.168 -8.474 9.875 1.00 0.00 C ATOM 0 H ALA A 61 11.813 -8.313 9.334 1.00 0.00 H new ATOM 0 HA ALA A 61 13.564 -6.489 10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.226 -8.343 10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.679 -8.986 10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.063 -9.070 8.968 1.00 0.00 H new ATOM 841 N LEU A 62 14.147 -6.437 7.295 1.00 0.00 N ATOM 842 CA LEU A 62 14.553 -5.429 6.267 1.00 0.00 C ATOM 843 C LEU A 62 13.843 -4.041 6.346 1.00 0.00 C ATOM 844 O LEU A 62 14.495 -3.048 6.044 1.00 0.00 O ATOM 845 CB LEU A 62 14.375 -5.964 4.822 1.00 0.00 C ATOM 846 CG LEU A 62 15.312 -7.101 4.355 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.789 -7.712 3.047 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.744 -6.582 4.128 1.00 0.00 C ATOM 0 H LEU A 62 13.752 -7.292 6.904 1.00 0.00 H new ATOM 0 HA LEU A 62 15.603 -5.267 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.347 -6.313 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.498 -5.125 4.137 1.00 0.00 H new ATOM 0 HG LEU A 62 15.331 -7.859 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.456 -8.512 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.790 -8.116 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.749 -6.942 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.381 -7.403 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.732 -5.805 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.134 -6.170 5.059 1.00 0.00 H new ATOM 860 N GLN A 63 12.557 -3.924 6.727 1.00 0.00 N ATOM 861 CA GLN A 63 11.930 -2.590 6.987 1.00 0.00 C ATOM 862 C GLN A 63 12.537 -1.804 8.194 1.00 0.00 C ATOM 863 O GLN A 63 12.823 -0.610 8.055 1.00 0.00 O ATOM 864 CB GLN A 63 10.384 -2.681 7.082 1.00 0.00 C ATOM 865 CG GLN A 63 9.673 -3.050 5.755 1.00 0.00 C ATOM 866 CD GLN A 63 8.188 -2.688 5.680 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.759 -1.606 6.067 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.371 -3.549 5.127 1.00 0.00 N ATOM 0 H GLN A 63 11.930 -4.717 6.863 1.00 0.00 H new ATOM 0 HA GLN A 63 12.182 -1.995 6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.123 -3.423 7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.998 -1.723 7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.192 -2.554 4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.776 -4.123 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.722 -4.450 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.383 -3.318 5.020 1.00 0.00 H new ATOM 877 N GLU A 64 12.781 -2.459 9.343 1.00 0.00 N ATOM 878 CA GLU A 64 13.581 -1.876 10.456 1.00 0.00 C ATOM 879 C GLU A 64 15.087 -1.610 10.097 1.00 0.00 C ATOM 880 O GLU A 64 15.585 -0.519 10.377 1.00 0.00 O ATOM 881 CB GLU A 64 13.438 -2.796 11.701 1.00 0.00 C ATOM 882 CG GLU A 64 12.017 -2.920 12.311 1.00 0.00 C ATOM 883 CD GLU A 64 11.933 -3.952 13.433 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.315 -3.437 14.638 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.567 -5.111 13.257 1.00 0.00 O ATOM 0 H GLU A 64 12.436 -3.400 9.534 1.00 0.00 H new ATOM 0 HA GLU A 64 13.180 -0.885 10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.781 -3.794 11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.111 -2.429 12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.708 -1.948 12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.313 -3.190 11.524 1.00 0.00 H new ATOM 892 N PHE A 65 15.791 -2.564 9.451 1.00 0.00 N ATOM 893 CA PHE A 65 17.178 -2.368 8.939 1.00 0.00 C ATOM 894 C PHE A 65 17.304 -1.302 7.813 1.00 0.00 C ATOM 895 O PHE A 65 18.124 -0.399 7.959 1.00 0.00 O ATOM 896 CB PHE A 65 17.709 -3.762 8.526 1.00 0.00 C ATOM 897 CG PHE A 65 19.149 -3.860 7.994 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.242 -3.799 8.866 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.362 -4.201 6.654 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.517 -4.134 8.417 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.634 -4.551 6.216 1.00 0.00 C ATOM 902 CZ PHE A 65 21.703 -4.554 7.105 1.00 0.00 C ATOM 0 H PHE A 65 15.419 -3.496 9.266 1.00 0.00 H new ATOM 0 HA PHE A 65 17.796 -1.944 9.730 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.628 -4.420 9.391 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.043 -4.159 7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.096 -3.491 9.891 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.536 -4.192 5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.361 -4.068 9.088 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.792 -4.821 5.182 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.678 -4.883 6.776 1.00 0.00 H new ATOM 912 N LEU A 66 16.500 -1.322 6.734 1.00 0.00 N ATOM 913 CA LEU A 66 16.464 -0.181 5.773 1.00 0.00 C ATOM 914 C LEU A 66 16.002 1.198 6.350 1.00 0.00 C ATOM 915 O LEU A 66 16.434 2.209 5.804 1.00 0.00 O ATOM 916 CB LEU A 66 15.696 -0.563 4.478 1.00 0.00 C ATOM 917 CG LEU A 66 16.258 -1.744 3.636 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.385 -1.973 2.390 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.728 -1.545 3.224 1.00 0.00 C ATOM 0 H LEU A 66 15.875 -2.094 6.500 1.00 0.00 H new ATOM 0 HA LEU A 66 17.511 -0.004 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.669 -0.804 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.656 0.318 3.838 1.00 0.00 H new ATOM 0 HG LEU A 66 16.227 -2.626 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.790 -2.802 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.366 -2.208 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.380 -1.071 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.061 -2.402 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.818 -0.639 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.347 -1.452 4.117 1.00 0.00 H new ATOM 931 N THR A 67 15.223 1.276 7.449 1.00 0.00 N ATOM 932 CA THR A 67 15.042 2.546 8.230 1.00 0.00 C ATOM 933 C THR A 67 16.280 2.999 9.088 1.00 0.00 C ATOM 934 O THR A 67 16.477 4.203 9.264 1.00 0.00 O ATOM 935 CB THR A 67 13.781 2.491 9.155 1.00 0.00 C ATOM 936 OG1 THR A 67 12.678 1.847 8.538 1.00 0.00 O ATOM 937 CG2 THR A 67 13.252 3.890 9.529 1.00 0.00 C ATOM 0 H THR A 67 14.704 0.483 7.826 1.00 0.00 H new ATOM 0 HA THR A 67 14.913 3.296 7.450 1.00 0.00 H new ATOM 0 HB THR A 67 14.133 1.945 10.030 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.688 0.893 8.763 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.377 3.788 10.171 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.028 4.443 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.976 4.429 8.623 1.00 0.00 H new ATOM 945 N ASN A 68 17.059 2.076 9.685 1.00 0.00 N ATOM 946 CA ASN A 68 18.192 2.408 10.583 1.00 0.00 C ATOM 947 C ASN A 68 19.162 1.168 10.594 1.00 0.00 C ATOM 948 O ASN A 68 19.021 0.304 11.467 1.00 0.00 O ATOM 949 CB ASN A 68 17.671 2.899 11.966 1.00 0.00 C ATOM 950 CG ASN A 68 18.565 3.960 12.601 1.00 0.00 C ATOM 951 OD1 ASN A 68 19.554 3.679 13.267 1.00 0.00 O ATOM 952 ND2 ASN A 68 18.265 5.215 12.376 1.00 0.00 N ATOM 0 H ASN A 68 16.923 1.073 9.560 1.00 0.00 H new ATOM 0 HA ASN A 68 18.779 3.256 10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.666 3.304 11.846 1.00 0.00 H new ATOM 0 HB3 ASN A 68 17.593 2.047 12.641 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.854 5.956 12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.442 5.451 11.822 1.00 0.00 H new ATOM 959 N PRO A 69 20.134 1.008 9.638 1.00 0.00 N ATOM 960 CA PRO A 69 20.963 -0.231 9.506 1.00 0.00 C ATOM 961 C PRO A 69 21.814 -0.654 10.736 1.00 0.00 C ATOM 962 O PRO A 69 21.799 -1.817 11.147 1.00 0.00 O ATOM 963 CB PRO A 69 21.807 0.054 8.239 1.00 0.00 C ATOM 964 CG PRO A 69 20.998 1.068 7.431 1.00 0.00 C ATOM 965 CD PRO A 69 20.272 1.900 8.477 1.00 0.00 C ATOM 0 HA PRO A 69 20.323 -1.110 9.433 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.787 0.453 8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.977 -0.858 7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.645 1.688 6.811 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.295 0.572 6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.838 2.796 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.299 2.230 8.114 1.00 0.00 H new ATOM 973 N LYS A 70 22.489 0.330 11.346 1.00 0.00 N ATOM 974 CA LYS A 70 23.190 0.157 12.653 1.00 0.00 C ATOM 975 C LYS A 70 22.299 -0.100 13.923 1.00 0.00 C ATOM 976 O LYS A 70 22.813 -0.585 14.932 1.00 0.00 O ATOM 977 CB LYS A 70 24.134 1.370 12.890 1.00 0.00 C ATOM 978 CG LYS A 70 25.217 1.547 11.803 1.00 0.00 C ATOM 979 CD LYS A 70 26.414 2.415 12.224 1.00 0.00 C ATOM 980 CE LYS A 70 27.483 2.470 11.121 1.00 0.00 C ATOM 981 NZ LYS A 70 28.623 3.295 11.565 1.00 0.00 N ATOM 0 H LYS A 70 22.572 1.270 10.960 1.00 0.00 H new ATOM 0 HA LYS A 70 23.738 -0.779 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.534 2.279 12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.621 1.254 13.858 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.584 0.563 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.757 1.990 10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 70 26.071 3.424 12.451 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.852 2.014 13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.824 1.462 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.055 2.886 10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 29.342 3.327 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.294 4.260 11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 29.038 2.880 12.424 1.00 0.00 H new ATOM 994 N ALA A 71 20.989 0.198 13.887 1.00 0.00 N ATOM 995 CA ALA A 71 20.027 -0.231 14.940 1.00 0.00 C ATOM 996 C ALA A 71 19.682 -1.758 14.954 1.00 0.00 C ATOM 997 O ALA A 71 19.671 -2.365 16.027 1.00 0.00 O ATOM 998 CB ALA A 71 18.770 0.640 14.767 1.00 0.00 C ATOM 0 H ALA A 71 20.560 0.739 13.136 1.00 0.00 H new ATOM 0 HA ALA A 71 20.497 -0.085 15.913 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.030 0.364 15.518 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.036 1.690 14.888 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.353 0.483 13.772 1.00 0.00 H new ATOM 1004 N VAL A 72 19.413 -2.379 13.785 1.00 0.00 N ATOM 1005 CA VAL A 72 19.215 -3.859 13.675 1.00 0.00 C ATOM 1006 C VAL A 72 20.579 -4.641 13.705 1.00 0.00 C ATOM 1007 O VAL A 72 20.702 -5.578 14.499 1.00 0.00 O ATOM 1008 CB VAL A 72 18.278 -4.187 12.458 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.166 -5.692 12.131 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.827 -3.674 12.624 1.00 0.00 C ATOM 0 H VAL A 72 19.326 -1.885 12.897 1.00 0.00 H new ATOM 0 HA VAL A 72 18.693 -4.225 14.559 1.00 0.00 H new ATOM 0 HB VAL A 72 18.779 -3.661 11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.501 -5.831 11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.153 -6.086 11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.765 -6.223 12.994 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.244 -3.940 11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.379 -4.130 13.507 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.835 -2.590 12.740 1.00 0.00 H new ATOM 1020 N VAL A 73 21.579 -4.296 12.865 1.00 0.00 N ATOM 1021 CA VAL A 73 22.944 -4.907 12.952 1.00 0.00 C ATOM 1022 C VAL A 73 23.905 -3.815 13.525 1.00 0.00 C ATOM 1023 O VAL A 73 24.475 -3.020 12.768 1.00 0.00 O ATOM 1024 CB VAL A 73 23.446 -5.477 11.580 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.843 -6.134 11.679 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.520 -6.527 10.929 1.00 0.00 C ATOM 0 H VAL A 73 21.479 -3.605 12.122 1.00 0.00 H new ATOM 0 HA VAL A 73 22.916 -5.773 13.613 1.00 0.00 H new ATOM 0 HB VAL A 73 23.466 -4.583 10.956 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.138 -6.510 10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.569 -5.395 12.018 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.807 -6.960 12.389 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.954 -6.860 9.986 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.410 -7.380 11.599 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.542 -6.084 10.742 1.00 0.00 H new ATOM 1036 N LYS A 74 24.126 -3.798 14.851 1.00 0.00 N ATOM 1037 CA LYS A 74 25.077 -2.845 15.495 1.00 0.00 C ATOM 1038 C LYS A 74 26.569 -3.210 15.187 1.00 0.00 C ATOM 1039 O LYS A 74 27.097 -4.221 15.656 1.00 0.00 O ATOM 1040 CB LYS A 74 24.715 -2.660 16.999 1.00 0.00 C ATOM 1041 CG LYS A 74 25.166 -3.712 18.045 1.00 0.00 C ATOM 1042 CD LYS A 74 24.543 -5.119 17.894 1.00 0.00 C ATOM 1043 CE LYS A 74 25.018 -6.144 18.940 1.00 0.00 C ATOM 1044 NZ LYS A 74 26.407 -6.579 18.683 1.00 0.00 N ATOM 0 H LYS A 74 23.664 -4.429 15.506 1.00 0.00 H new ATOM 0 HA LYS A 74 24.968 -1.855 15.052 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.120 -1.698 17.313 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.629 -2.585 17.063 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.251 -3.808 17.992 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.927 -3.334 19.039 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.458 -5.031 17.957 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.775 -5.500 16.899 1.00 0.00 H new ATOM 0 HE2 LYS A 74 24.952 -5.706 19.936 1.00 0.00 H new ATOM 0 HE3 LYS A 74 24.357 -7.010 18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 26.694 -7.269 19.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 26.465 -7.019 17.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 27.041 -5.755 18.719 1.00 0.00 H new ATOM 1057 N GLY A 75 27.209 -2.412 14.318 1.00 0.00 N ATOM 1058 CA GLY A 75 28.446 -2.829 13.599 1.00 0.00 C ATOM 1059 C GLY A 75 28.270 -3.470 12.196 1.00 0.00 C ATOM 1060 O GLY A 75 29.011 -4.393 11.843 1.00 0.00 O ATOM 0 H GLY A 75 26.897 -1.468 14.089 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.086 -1.953 13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.980 -3.539 14.230 1.00 0.00 H new ATOM 1064 N THR A 76 27.363 -2.945 11.355 1.00 0.00 N ATOM 1065 CA THR A 76 27.367 -3.194 9.893 1.00 0.00 C ATOM 1066 C THR A 76 28.423 -2.275 9.198 1.00 0.00 C ATOM 1067 O THR A 76 28.489 -1.068 9.456 1.00 0.00 O ATOM 1068 CB THR A 76 25.915 -3.033 9.338 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.861 -3.526 8.005 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.279 -1.634 9.313 1.00 0.00 C ATOM 0 H THR A 76 26.605 -2.336 11.663 1.00 0.00 H new ATOM 0 HA THR A 76 27.672 -4.217 9.672 1.00 0.00 H new ATOM 0 HB THR A 76 25.333 -3.595 10.068 1.00 0.00 H new ATOM 0 HG1 THR A 76 24.950 -3.427 7.656 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.273 -1.699 8.899 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.229 -1.239 10.328 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.883 -0.971 8.694 1.00 0.00 H new ATOM 1078 N LYS A 77 29.194 -2.823 8.248 1.00 0.00 N ATOM 1079 CA LYS A 77 29.982 -1.993 7.278 1.00 0.00 C ATOM 1080 C LYS A 77 29.139 -1.163 6.227 1.00 0.00 C ATOM 1081 O LYS A 77 29.722 -0.540 5.335 1.00 0.00 O ATOM 1082 CB LYS A 77 30.992 -2.948 6.572 1.00 0.00 C ATOM 1083 CG LYS A 77 32.150 -3.508 7.434 1.00 0.00 C ATOM 1084 CD LYS A 77 32.782 -4.773 6.808 1.00 0.00 C ATOM 1085 CE LYS A 77 33.895 -5.422 7.649 1.00 0.00 C ATOM 1086 NZ LYS A 77 35.170 -4.688 7.526 1.00 0.00 N ATOM 0 H LYS A 77 29.300 -3.829 8.117 1.00 0.00 H new ATOM 0 HA LYS A 77 30.482 -1.212 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.434 -3.791 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.426 -2.416 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.916 -2.742 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.778 -3.745 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 77 31.996 -5.510 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.189 -4.513 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 77 33.591 -5.451 8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.037 -6.455 7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.896 -5.154 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.473 -4.682 6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.040 -3.710 7.854 1.00 0.00 H new ATOM 1099 N MET A 78 27.791 -1.120 6.329 1.00 0.00 N ATOM 1100 CA MET A 78 26.917 -0.363 5.401 1.00 0.00 C ATOM 1101 C MET A 78 26.843 1.138 5.819 1.00 0.00 C ATOM 1102 O MET A 78 26.151 1.500 6.777 1.00 0.00 O ATOM 1103 CB MET A 78 25.541 -1.092 5.327 1.00 0.00 C ATOM 1104 CG MET A 78 24.498 -0.386 4.434 1.00 0.00 C ATOM 1105 SD MET A 78 23.366 -1.520 3.526 1.00 0.00 S ATOM 1106 CE MET A 78 21.813 -0.647 3.975 1.00 0.00 C ATOM 0 H MET A 78 27.276 -1.611 7.060 1.00 0.00 H new ATOM 0 HA MET A 78 27.324 -0.344 4.390 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.698 -2.104 4.953 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.137 -1.184 6.335 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.900 0.281 5.055 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.023 0.238 3.710 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.962 -1.173 3.542 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.711 -0.622 5.060 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.844 0.372 3.589 1.00 0.00 H new ATOM 1116 N ALA A 79 27.521 2.016 5.053 1.00 0.00 N ATOM 1117 CA ALA A 79 27.441 3.489 5.254 1.00 0.00 C ATOM 1118 C ALA A 79 26.131 4.127 4.671 1.00 0.00 C ATOM 1119 O ALA A 79 26.130 4.869 3.684 1.00 0.00 O ATOM 1120 CB ALA A 79 28.748 4.070 4.679 1.00 0.00 C ATOM 0 H ALA A 79 28.133 1.736 4.286 1.00 0.00 H new ATOM 0 HA ALA A 79 27.361 3.737 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.748 5.153 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.600 3.646 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.822 3.821 3.620 1.00 0.00 H new ATOM 1126 N PHE A 80 25.005 3.814 5.329 1.00 0.00 N ATOM 1127 CA PHE A 80 23.648 4.257 4.927 1.00 0.00 C ATOM 1128 C PHE A 80 22.853 4.641 6.215 1.00 0.00 C ATOM 1129 O PHE A 80 22.809 3.888 7.195 1.00 0.00 O ATOM 1130 CB PHE A 80 22.990 3.111 4.108 1.00 0.00 C ATOM 1131 CG PHE A 80 21.621 3.442 3.499 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.526 4.263 2.371 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.453 2.936 4.080 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.279 4.581 1.839 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.209 3.257 3.551 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.125 4.082 2.436 1.00 0.00 C ATOM 0 H PHE A 80 25.004 3.237 6.170 1.00 0.00 H new ATOM 0 HA PHE A 80 23.667 5.141 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.668 2.826 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.880 2.241 4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.423 4.652 1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.519 2.292 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.208 5.213 0.966 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.310 2.867 4.005 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.158 4.338 2.030 1.00 0.00 H new ATOM 1146 N ALA A 81 22.204 5.814 6.204 1.00 0.00 N ATOM 1147 CA ALA A 81 21.440 6.318 7.378 1.00 0.00 C ATOM 1148 C ALA A 81 19.993 5.758 7.563 1.00 0.00 C ATOM 1149 O ALA A 81 19.563 5.584 8.707 1.00 0.00 O ATOM 1150 CB ALA A 81 21.450 7.856 7.273 1.00 0.00 C ATOM 0 H ALA A 81 22.187 6.440 5.399 1.00 0.00 H new ATOM 0 HA ALA A 81 21.935 5.952 8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.901 8.282 8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.479 8.215 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.977 8.160 6.339 1.00 0.00 H new ATOM 1156 N GLY A 82 19.241 5.516 6.472 1.00 0.00 N ATOM 1157 CA GLY A 82 17.798 5.178 6.578 1.00 0.00 C ATOM 1158 C GLY A 82 16.872 5.634 5.427 1.00 0.00 C ATOM 1159 O GLY A 82 16.926 6.775 4.964 1.00 0.00 O ATOM 0 H GLY A 82 19.597 5.546 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.712 4.095 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.419 5.608 7.505 1.00 0.00 H new ATOM 1163 N LEU A 83 15.934 4.753 5.054 1.00 0.00 N ATOM 1164 CA LEU A 83 14.762 5.098 4.207 1.00 0.00 C ATOM 1165 C LEU A 83 13.575 5.674 5.057 1.00 0.00 C ATOM 1166 O LEU A 83 13.154 4.996 6.002 1.00 0.00 O ATOM 1167 CB LEU A 83 14.282 3.851 3.410 1.00 0.00 C ATOM 1168 CG LEU A 83 15.153 3.426 2.204 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.566 2.179 1.539 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.234 4.520 1.131 1.00 0.00 C ATOM 0 H LEU A 83 15.959 3.771 5.329 1.00 0.00 H new ATOM 0 HA LEU A 83 15.083 5.873 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.219 3.009 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.272 4.044 3.050 1.00 0.00 H new ATOM 0 HG LEU A 83 16.150 3.233 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.189 1.891 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.535 1.363 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.556 2.394 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.856 4.174 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.233 4.743 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.671 5.421 1.562 1.00 0.00 H new ATOM 1182 N PRO A 84 12.984 6.871 4.767 1.00 0.00 N ATOM 1183 CA PRO A 84 12.052 7.553 5.712 1.00 0.00 C ATOM 1184 C PRO A 84 10.559 7.091 5.712 1.00 0.00 C ATOM 1185 O PRO A 84 9.985 6.947 6.796 1.00 0.00 O ATOM 1186 CB PRO A 84 12.247 9.029 5.305 1.00 0.00 C ATOM 1187 CG PRO A 84 12.552 8.997 3.803 1.00 0.00 C ATOM 1188 CD PRO A 84 13.360 7.712 3.612 1.00 0.00 C ATOM 0 HA PRO A 84 12.288 7.317 6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.352 9.616 5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.064 9.486 5.863 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.637 8.984 3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.120 9.874 3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.115 7.225 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.431 7.914 3.598 1.00 0.00 H new ATOM 1196 N LYS A 85 9.933 6.831 4.548 1.00 0.00 N ATOM 1197 CA LYS A 85 8.530 6.343 4.478 1.00 0.00 C ATOM 1198 C LYS A 85 8.456 4.785 4.539 1.00 0.00 C ATOM 1199 O LYS A 85 9.281 4.070 3.958 1.00 0.00 O ATOM 1200 CB LYS A 85 7.856 6.839 3.167 1.00 0.00 C ATOM 1201 CG LYS A 85 7.782 8.364 2.908 1.00 0.00 C ATOM 1202 CD LYS A 85 6.896 9.138 3.906 1.00 0.00 C ATOM 1203 CE LYS A 85 6.822 10.634 3.564 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.964 11.339 4.534 1.00 0.00 N ATOM 0 H LYS A 85 10.374 6.950 3.636 1.00 0.00 H new ATOM 0 HA LYS A 85 8.001 6.744 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.386 6.385 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.838 6.449 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.791 8.775 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.403 8.531 1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.892 8.715 3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.292 9.015 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.823 11.066 3.572 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.427 10.765 2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.923 12.349 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.005 10.937 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.358 11.229 5.490 1.00 0.00 H new ATOM 1217 N ILE A 86 7.385 4.263 5.162 1.00 0.00 N ATOM 1218 CA ILE A 86 6.983 2.818 5.054 1.00 0.00 C ATOM 1219 C ILE A 86 6.840 2.285 3.584 1.00 0.00 C ATOM 1220 O ILE A 86 7.366 1.215 3.265 1.00 0.00 O ATOM 1221 CB ILE A 86 5.753 2.556 6.001 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.541 1.072 6.425 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.418 3.214 5.563 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.967 0.083 5.392 1.00 0.00 C ATOM 0 H ILE A 86 6.765 4.814 5.756 1.00 0.00 H new ATOM 0 HA ILE A 86 7.806 2.199 5.411 1.00 0.00 H new ATOM 0 HB ILE A 86 6.069 3.087 6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.503 0.682 6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.879 1.067 7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.638 2.970 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.544 4.296 5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.133 2.839 4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.881 -0.906 5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.982 0.422 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.631 0.032 4.529 1.00 0.00 H new ATOM 1236 N GLU A 87 6.241 3.085 2.679 1.00 0.00 N ATOM 1237 CA GLU A 87 6.243 2.806 1.217 1.00 0.00 C ATOM 1238 C GLU A 87 7.648 2.775 0.532 1.00 0.00 C ATOM 1239 O GLU A 87 7.816 1.993 -0.402 1.00 0.00 O ATOM 1240 CB GLU A 87 5.309 3.821 0.499 1.00 0.00 C ATOM 1241 CG GLU A 87 3.803 3.714 0.850 1.00 0.00 C ATOM 1242 CD GLU A 87 2.928 4.711 0.097 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.498 4.224 -1.100 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.642 5.825 0.523 1.00 0.00 O ATOM 0 H GLU A 87 5.744 3.939 2.932 1.00 0.00 H new ATOM 0 HA GLU A 87 5.874 1.786 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.648 4.829 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.422 3.692 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.458 2.703 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.676 3.869 1.921 1.00 0.00 H new ATOM 1251 N ASP A 88 8.658 3.560 0.967 1.00 0.00 N ATOM 1252 CA ASP A 88 10.021 3.513 0.347 1.00 0.00 C ATOM 1253 C ASP A 88 10.745 2.137 0.513 1.00 0.00 C ATOM 1254 O ASP A 88 11.142 1.530 -0.485 1.00 0.00 O ATOM 1255 CB ASP A 88 10.897 4.694 0.851 1.00 0.00 C ATOM 1256 CG ASP A 88 10.516 6.083 0.338 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.099 6.309 -0.793 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.716 7.053 1.273 1.00 0.00 O ATOM 0 H ASP A 88 8.568 4.228 1.733 1.00 0.00 H new ATOM 0 HA ASP A 88 9.872 3.626 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.859 4.709 1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.932 4.497 0.571 1.00 0.00 H new ATOM 1263 N ARG A 89 10.870 1.631 1.753 1.00 0.00 N ATOM 1264 CA ARG A 89 11.332 0.240 2.013 1.00 0.00 C ATOM 1265 C ARG A 89 10.376 -0.906 1.535 1.00 0.00 C ATOM 1266 O ARG A 89 10.874 -1.829 0.890 1.00 0.00 O ATOM 1267 CB ARG A 89 11.843 0.101 3.470 1.00 0.00 C ATOM 1268 CG ARG A 89 10.891 0.514 4.618 1.00 0.00 C ATOM 1269 CD ARG A 89 11.330 1.786 5.372 1.00 0.00 C ATOM 1270 NE ARG A 89 10.482 1.861 6.599 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.168 2.959 7.276 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.683 4.127 7.036 1.00 0.00 N ATOM 1273 NH2 ARG A 89 9.313 2.861 8.251 1.00 0.00 N ATOM 0 H ARG A 89 10.659 2.161 2.599 1.00 0.00 H new ATOM 0 HA ARG A 89 12.182 0.077 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.123 -0.941 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.753 0.693 3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.893 0.673 4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.817 -0.309 5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.387 1.738 5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.195 2.672 4.751 1.00 0.00 H new ATOM 0 HE ARG A 89 10.107 0.981 6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.371 4.238 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.400 4.933 7.593 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.901 1.956 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.054 3.689 8.787 1.00 0.00 H new ATOM 1287 N ALA A 90 9.046 -0.865 1.769 1.00 0.00 N ATOM 1288 CA ALA A 90 8.089 -1.844 1.170 1.00 0.00 C ATOM 1289 C ALA A 90 8.044 -1.964 -0.396 1.00 0.00 C ATOM 1290 O ALA A 90 8.018 -3.084 -0.915 1.00 0.00 O ATOM 1291 CB ALA A 90 6.707 -1.554 1.781 1.00 0.00 C ATOM 0 H ALA A 90 8.603 -0.168 2.367 1.00 0.00 H new ATOM 0 HA ALA A 90 8.459 -2.836 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.974 -2.249 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.755 -1.675 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.411 -0.532 1.543 1.00 0.00 H new ATOM 1297 N ASN A 91 8.103 -0.845 -1.144 1.00 0.00 N ATOM 1298 CA ASN A 91 8.292 -0.855 -2.629 1.00 0.00 C ATOM 1299 C ASN A 91 9.649 -1.483 -3.098 1.00 0.00 C ATOM 1300 O ASN A 91 9.660 -2.355 -3.971 1.00 0.00 O ATOM 1301 CB ASN A 91 8.119 0.587 -3.193 1.00 0.00 C ATOM 1302 CG ASN A 91 6.704 1.184 -3.162 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.685 0.506 -3.131 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.583 2.487 -3.216 1.00 0.00 N ATOM 0 H ASN A 91 8.023 0.092 -0.750 1.00 0.00 H new ATOM 0 HA ASN A 91 7.520 -1.508 -3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.779 1.251 -2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.465 0.590 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.656 2.913 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.415 3.076 -3.243 1.00 0.00 H new ATOM 1311 N LEU A 92 10.785 -1.075 -2.496 1.00 0.00 N ATOM 1312 CA LEU A 92 12.105 -1.744 -2.686 1.00 0.00 C ATOM 1313 C LEU A 92 12.157 -3.270 -2.302 1.00 0.00 C ATOM 1314 O LEU A 92 12.693 -4.074 -3.065 1.00 0.00 O ATOM 1315 CB LEU A 92 13.175 -0.892 -1.941 1.00 0.00 C ATOM 1316 CG LEU A 92 14.546 -0.733 -2.647 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.470 0.118 -1.772 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.262 -2.054 -2.950 1.00 0.00 C ATOM 0 H LEU A 92 10.822 -0.275 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 92 12.312 -1.777 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.762 0.102 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.345 -1.339 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 92 14.331 -0.261 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.435 0.232 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.023 1.100 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.611 -0.371 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.212 -1.848 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.446 -2.590 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.638 -2.664 -3.603 1.00 0.00 H new ATOM 1330 N ILE A 93 11.554 -3.684 -1.172 1.00 0.00 N ATOM 1331 CA ILE A 93 11.312 -5.122 -0.823 1.00 0.00 C ATOM 1332 C ILE A 93 10.455 -5.895 -1.893 1.00 0.00 C ATOM 1333 O ILE A 93 10.855 -6.992 -2.284 1.00 0.00 O ATOM 1334 CB ILE A 93 10.795 -5.182 0.664 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.930 -4.848 1.687 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.123 -6.515 1.077 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.450 -4.419 3.083 1.00 0.00 C ATOM 0 H ILE A 93 11.214 -3.036 -0.462 1.00 0.00 H new ATOM 0 HA ILE A 93 12.244 -5.685 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 93 10.018 -4.418 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.570 -5.724 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.548 -4.051 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.803 -6.454 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.257 -6.698 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.836 -7.332 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.312 -4.210 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.837 -3.522 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.860 -5.221 3.527 1.00 0.00 H new ATOM 1349 N ALA A 94 9.344 -5.331 -2.409 1.00 0.00 N ATOM 1350 CA ALA A 94 8.641 -5.877 -3.610 1.00 0.00 C ATOM 1351 C ALA A 94 9.501 -6.060 -4.912 1.00 0.00 C ATOM 1352 O ALA A 94 9.445 -7.125 -5.533 1.00 0.00 O ATOM 1353 CB ALA A 94 7.402 -4.996 -3.843 1.00 0.00 C ATOM 0 H ALA A 94 8.906 -4.496 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 94 8.374 -6.910 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.856 -5.359 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.756 -5.038 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.715 -3.966 -4.015 1.00 0.00 H new ATOM 1359 N TYR A 95 10.341 -5.070 -5.279 1.00 0.00 N ATOM 1360 CA TYR A 95 11.474 -5.265 -6.236 1.00 0.00 C ATOM 1361 C TYR A 95 12.464 -6.424 -5.860 1.00 0.00 C ATOM 1362 O TYR A 95 12.647 -7.330 -6.671 1.00 0.00 O ATOM 1363 CB TYR A 95 12.130 -3.866 -6.427 1.00 0.00 C ATOM 1364 CG TYR A 95 13.391 -3.800 -7.303 1.00 0.00 C ATOM 1365 CD1 TYR A 95 13.289 -3.706 -8.693 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.657 -3.807 -6.706 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.440 -3.592 -9.472 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.804 -3.698 -7.487 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.692 -3.569 -8.868 1.00 0.00 C ATOM 1370 OH TYR A 95 16.810 -3.400 -9.637 1.00 0.00 O ATOM 0 H TYR A 95 10.263 -4.115 -4.929 1.00 0.00 H new ATOM 0 HA TYR A 95 11.102 -5.632 -7.192 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.384 -3.198 -6.857 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.381 -3.472 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.318 -3.722 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.744 -3.897 -5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 95 14.359 -3.521 -10.547 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.779 -3.714 -7.022 1.00 0.00 H new ATOM 0 HH TYR A 95 17.448 -2.826 -9.165 1.00 0.00 H new ATOM 1380 N LEU A 96 13.068 -6.431 -4.659 1.00 0.00 N ATOM 1381 CA LEU A 96 13.999 -7.514 -4.207 1.00 0.00 C ATOM 1382 C LEU A 96 13.412 -8.966 -4.065 1.00 0.00 C ATOM 1383 O LEU A 96 14.169 -9.934 -4.178 1.00 0.00 O ATOM 1384 CB LEU A 96 14.673 -7.049 -2.885 1.00 0.00 C ATOM 1385 CG LEU A 96 15.603 -5.806 -2.939 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.959 -5.348 -1.513 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.880 -6.056 -3.760 1.00 0.00 C ATOM 0 H LEU A 96 12.934 -5.694 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 96 14.714 -7.640 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.884 -6.844 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.254 -7.884 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 96 15.053 -5.014 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.611 -4.476 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.047 -5.088 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.471 -6.155 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.492 -5.154 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.444 -6.876 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.610 -6.315 -4.784 1.00 0.00 H new ATOM 1399 N GLU A 97 12.090 -9.129 -3.861 1.00 0.00 N ATOM 1400 CA GLU A 97 11.378 -10.429 -4.056 1.00 0.00 C ATOM 1401 C GLU A 97 11.395 -10.954 -5.535 1.00 0.00 C ATOM 1402 O GLU A 97 11.818 -12.089 -5.766 1.00 0.00 O ATOM 1403 CB GLU A 97 9.923 -10.309 -3.512 1.00 0.00 C ATOM 1404 CG GLU A 97 9.796 -10.222 -1.972 1.00 0.00 C ATOM 1405 CD GLU A 97 8.370 -10.029 -1.468 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.008 -8.717 -1.416 1.00 0.00 O ATOM 1407 OE2 GLU A 97 7.633 -10.950 -1.132 1.00 0.00 O ATOM 0 H GLU A 97 11.478 -8.372 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 97 11.926 -11.180 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.462 -9.423 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.351 -11.170 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.203 -11.133 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.410 -9.395 -1.615 1.00 0.00 H new ATOM 1414 N GLY A 98 10.959 -10.148 -6.524 1.00 0.00 N ATOM 1415 CA GLY A 98 11.089 -10.507 -7.969 1.00 0.00 C ATOM 1416 C GLY A 98 12.492 -10.472 -8.635 1.00 0.00 C ATOM 1417 O GLY A 98 12.732 -11.224 -9.580 1.00 0.00 O ATOM 0 H GLY A 98 10.514 -9.245 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.692 -11.514 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.441 -9.836 -8.533 1.00 0.00 H new ATOM 1421 N GLN A 99 13.398 -9.599 -8.174 1.00 0.00 N ATOM 1422 CA GLN A 99 14.752 -9.412 -8.757 1.00 0.00 C ATOM 1423 C GLN A 99 15.774 -10.427 -8.150 1.00 0.00 C ATOM 1424 O GLN A 99 16.445 -10.157 -7.145 1.00 0.00 O ATOM 1425 CB GLN A 99 15.120 -7.918 -8.518 1.00 0.00 C ATOM 1426 CG GLN A 99 16.355 -7.394 -9.289 1.00 0.00 C ATOM 1427 CD GLN A 99 16.199 -7.291 -10.810 1.00 0.00 C ATOM 1428 OE1 GLN A 99 16.744 -8.077 -11.575 1.00 0.00 O ATOM 1429 NE2 GLN A 99 15.452 -6.330 -11.296 1.00 0.00 N ATOM 0 H GLN A 99 13.218 -8.990 -7.376 1.00 0.00 H new ATOM 0 HA GLN A 99 14.776 -9.623 -9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.260 -7.305 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.293 -7.773 -7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.610 -6.408 -8.901 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.199 -8.049 -9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.995 -5.671 -10.666 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.328 -6.241 -12.305 1.00 0.00 H new ATOM 1438 N GLN A 100 15.848 -11.610 -8.774 1.00 0.00 N ATOM 1439 CA GLN A 100 16.573 -12.781 -8.238 1.00 0.00 C ATOM 1440 C GLN A 100 17.263 -13.581 -9.371 1.00 0.00 C ATOM 1441 O GLN A 100 16.589 -14.050 -10.319 1.00 0.00 O ATOM 1442 CB GLN A 100 15.619 -13.627 -7.350 1.00 0.00 C ATOM 1443 CG GLN A 100 14.268 -14.110 -7.947 1.00 0.00 C ATOM 1444 CD GLN A 100 13.554 -15.172 -7.106 1.00 0.00 C ATOM 1445 OE1 GLN A 100 13.777 -16.370 -7.240 1.00 0.00 O ATOM 1446 NE2 GLN A 100 12.673 -14.791 -6.213 1.00 0.00 N ATOM 1447 OXT GLN A 100 18.504 -13.744 -9.305 1.00 0.00 O ATOM 0 H GLN A 100 15.403 -11.788 -9.675 1.00 0.00 H new ATOM 0 HA GLN A 100 17.387 -12.449 -7.593 1.00 0.00 H new ATOM 0 HB2 GLN A 100 16.169 -14.509 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.395 -13.043 -6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.607 -13.251 -8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.447 -14.512 -8.944 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.472 -13.799 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.188 -15.486 -5.646 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.765 -1.686 1.448 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.752 -4.555 3.057 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.685 -3.294 1.401 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.486 1.161 0.426 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.685 -0.431 1.272 1.00 0.00 C HETATM 1462 NA HEC A 101 22.912 -3.342 2.204 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.457 -4.400 2.775 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.648 -5.455 3.058 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.462 -5.067 2.625 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.700 -3.854 2.060 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.162 -5.899 2.704 1.00 0.00 C HETATM 1468 CAA HEC A 101 22.930 -6.855 3.658 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.113 -7.935 2.562 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.485 -9.345 3.033 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.049 -10.100 2.209 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.231 -9.717 4.201 1.00 0.00 O HETATM 1473 NB HEC A 101 22.016 -1.240 0.965 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.799 -1.966 0.806 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.770 -1.273 0.175 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.219 0.024 0.027 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.539 0.029 0.523 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.433 -1.848 -0.320 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.465 1.183 -0.660 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.211 1.601 0.122 1.00 0.00 C HETATM 1481 NC HEC A 101 24.400 0.047 1.168 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.799 1.080 0.673 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.619 2.101 0.327 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.852 1.622 0.503 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.645 0.376 1.003 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.306 3.502 -0.224 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.174 2.311 0.054 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.449 3.689 0.682 1.00 0.00 C HETATM 1489 ND HEC A 101 25.368 -2.451 1.874 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.614 -1.807 1.793 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.674 -2.503 2.396 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.129 -3.651 2.930 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.764 -3.590 2.624 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.126 -2.041 2.544 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.869 -4.761 3.699 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.647 -4.691 5.228 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.474 -5.656 6.080 1.00 0.00 C HETATM 1498 O1D HEC A 101 28.555 -5.432 7.306 1.00 0.00 O HETATM 1499 O2D HEC A 101 29.048 -6.630 5.553 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.555 -1.866 1.557 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.157 -1.117 3.122 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.702 -2.810 3.059 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.774 3.410 -1.171 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.686 4.044 0.490 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.237 4.047 -0.383 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.623 -2.624 -1.061 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.887 -2.276 0.521 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.840 -1.053 -0.771 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.291 -6.829 2.150 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.938 -6.126 3.746 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.339 -5.330 2.272 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 27.861 -3.674 5.558 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.592 -4.876 5.429 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.642 4.374 0.423 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.507 3.590 1.766 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.393 4.080 0.302 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.531 0.753 0.199 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.498 1.928 1.121 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.713 2.419 -0.399 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.186 -8.001 1.993 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 23.886 -7.592 1.874 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.536 -5.732 3.334 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 28.936 -4.691 3.489 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.827 -6.810 4.275 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.107 -7.140 4.313 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.680 -0.027 1.086 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.086 2.131 0.132 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.747 -3.841 1.304 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.066 -5.428 3.628 1.00 0.00 H new HETATM 0 H2D HEC A 101 29.995 -6.418 5.418 1.00 0.00 H new HETATM 0 H2A HEC A 101 23.311 -10.692 4.258 1.00 0.00 H new