USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 564 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 76 SER OG : rot 180:sc=-0.00268 USER MOD Set 2.1: A 50 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-3.7) USER MOD Set 2.2: A 71 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= -0.0106 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.0122 K(o=-0.13,f=-1.6) USER MOD Set 4.2: A 30 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0389 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -1.54! C(o=-1.5!,f=-1.1!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0.0307 (180deg=0.0105) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.41 F(o=-3.1!,f=-1.4) USER MOD Single : A 26 THR OG1 : rot -48:sc= 1.07 USER MOD Single : A 31 MET CE :methyl 162:sc= -0.787 (180deg=-1.92!) USER MOD Single : A 33 MET CE :methyl -138:sc= -0.116 (180deg=-2.28!) USER MOD Single : A 37 GLN : amide:sc= -0.0707 K(o=-0.071,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.0872 (180deg=-0.412) USER MOD Single : A 47 HIS : no HE2:sc= -0.0986 X(o=-0.099,f=-0.56) USER MOD Single : A 53 THR OG1 : rot 89:sc= 1.42 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0791) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.39) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.404 -0.980 -18.706 1.00 0.00 N ATOM 2 CA GLY A 1 3.458 -0.740 -20.136 1.00 0.00 C ATOM 3 C GLY A 1 3.821 -1.987 -20.919 1.00 0.00 C ATOM 4 O GLY A 1 4.462 -2.895 -20.391 1.00 0.00 O ATOM 0 H1 GLY A 1 2.421 -0.899 -18.377 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.760 -1.935 -18.501 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.993 -0.278 -18.214 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.491 -0.370 -20.476 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.189 0.041 -20.343 1.00 0.00 H new ATOM 8 N SER A 2 3.410 -2.031 -22.182 1.00 0.00 N ATOM 9 CA SER A 2 3.691 -3.178 -23.038 1.00 0.00 C ATOM 10 C SER A 2 4.054 -2.726 -24.449 1.00 0.00 C ATOM 11 O SER A 2 4.022 -1.536 -24.760 1.00 0.00 O ATOM 12 CB SER A 2 2.482 -4.114 -23.085 1.00 0.00 C ATOM 13 OG SER A 2 2.884 -5.457 -23.292 1.00 0.00 O ATOM 0 H SER A 2 2.881 -1.286 -22.635 1.00 0.00 H new ATOM 0 HA SER A 2 4.541 -3.715 -22.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.923 -4.038 -22.152 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.810 -3.805 -23.885 1.00 0.00 H new ATOM 0 HG SER A 2 2.093 -6.035 -23.316 1.00 0.00 H new ATOM 19 N SER A 3 4.400 -3.687 -25.300 1.00 0.00 N ATOM 20 CA SER A 3 4.774 -3.389 -26.678 1.00 0.00 C ATOM 21 C SER A 3 3.783 -4.013 -27.656 1.00 0.00 C ATOM 22 O SER A 3 3.515 -5.213 -27.607 1.00 0.00 O ATOM 23 CB SER A 3 6.186 -3.903 -26.968 1.00 0.00 C ATOM 24 OG SER A 3 7.164 -2.969 -26.547 1.00 0.00 O ATOM 0 H SER A 3 4.429 -4.678 -25.060 1.00 0.00 H new ATOM 0 HA SER A 3 4.755 -2.307 -26.808 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.343 -4.853 -26.458 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.295 -4.093 -28.036 1.00 0.00 H new ATOM 0 HG SER A 3 8.058 -3.321 -26.741 1.00 0.00 H new ATOM 30 N GLY A 4 3.240 -3.187 -28.547 1.00 0.00 N ATOM 31 CA GLY A 4 2.285 -3.674 -29.524 1.00 0.00 C ATOM 32 C GLY A 4 0.862 -3.267 -29.197 1.00 0.00 C ATOM 33 O GLY A 4 0.607 -2.655 -28.160 1.00 0.00 O ATOM 0 H GLY A 4 3.445 -2.190 -28.609 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.551 -3.292 -30.510 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.346 -4.761 -29.576 1.00 0.00 H new ATOM 37 N SER A 5 -0.068 -3.604 -30.085 1.00 0.00 N ATOM 38 CA SER A 5 -1.472 -3.265 -29.888 1.00 0.00 C ATOM 39 C SER A 5 -2.022 -3.934 -28.633 1.00 0.00 C ATOM 40 O SER A 5 -1.497 -4.950 -28.177 1.00 0.00 O ATOM 41 CB SER A 5 -2.296 -3.685 -31.107 1.00 0.00 C ATOM 42 OG SER A 5 -2.317 -5.095 -31.247 1.00 0.00 O ATOM 0 H SER A 5 0.126 -4.112 -30.948 1.00 0.00 H new ATOM 0 HA SER A 5 -1.545 -2.185 -29.764 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.315 -3.311 -31.007 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.877 -3.233 -32.006 1.00 0.00 H new ATOM 0 HG SER A 5 -2.851 -5.338 -32.032 1.00 0.00 H new ATOM 48 N SER A 6 -3.084 -3.357 -28.079 1.00 0.00 N ATOM 49 CA SER A 6 -3.704 -3.895 -26.873 1.00 0.00 C ATOM 50 C SER A 6 -5.192 -4.150 -27.095 1.00 0.00 C ATOM 51 O SER A 6 -5.825 -3.507 -27.932 1.00 0.00 O ATOM 52 CB SER A 6 -3.510 -2.931 -25.701 1.00 0.00 C ATOM 53 OG SER A 6 -2.141 -2.823 -25.351 1.00 0.00 O ATOM 0 H SER A 6 -3.533 -2.518 -28.446 1.00 0.00 H new ATOM 0 HA SER A 6 -3.221 -4.844 -26.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.899 -1.948 -25.966 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.082 -3.279 -24.841 1.00 0.00 H new ATOM 0 HG SER A 6 -2.043 -2.200 -24.601 1.00 0.00 H new ATOM 59 N GLY A 7 -5.743 -5.094 -26.339 1.00 0.00 N ATOM 60 CA GLY A 7 -7.152 -5.419 -26.468 1.00 0.00 C ATOM 61 C GLY A 7 -8.033 -4.528 -25.614 1.00 0.00 C ATOM 62 O GLY A 7 -7.970 -3.302 -25.714 1.00 0.00 O ATOM 0 H GLY A 7 -5.239 -5.640 -25.640 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.449 -5.325 -27.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.309 -6.460 -26.184 1.00 0.00 H new ATOM 66 N ARG A 8 -8.857 -5.144 -24.773 1.00 0.00 N ATOM 67 CA ARG A 8 -9.756 -4.399 -23.901 1.00 0.00 C ATOM 68 C ARG A 8 -9.425 -4.653 -22.433 1.00 0.00 C ATOM 69 O ARG A 8 -8.795 -5.655 -22.091 1.00 0.00 O ATOM 70 CB ARG A 8 -11.210 -4.786 -24.181 1.00 0.00 C ATOM 71 CG ARG A 8 -11.475 -6.278 -24.068 1.00 0.00 C ATOM 72 CD ARG A 8 -12.943 -6.602 -24.298 1.00 0.00 C ATOM 73 NE ARG A 8 -13.265 -6.705 -25.718 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.492 -6.558 -26.207 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.506 -6.301 -25.393 1.00 0.00 N ATOM 76 NH2 ARG A 8 -14.705 -6.666 -27.512 1.00 0.00 N ATOM 0 H ARG A 8 -8.920 -6.158 -24.677 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.623 -3.337 -24.107 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.859 -4.256 -23.484 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.479 -4.452 -25.183 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.865 -6.813 -24.796 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.174 -6.628 -23.081 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.189 -7.541 -23.802 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.561 -5.829 -23.841 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.506 -6.901 -26.371 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.345 -6.216 -24.389 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.447 -6.188 -25.770 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.927 -6.862 -28.141 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.647 -6.553 -27.886 1.00 0.00 H new ATOM 90 N THR A 9 -9.852 -3.739 -21.568 1.00 0.00 N ATOM 91 CA THR A 9 -9.600 -3.862 -20.138 1.00 0.00 C ATOM 92 C THR A 9 -10.905 -3.928 -19.353 1.00 0.00 C ATOM 93 O THR A 9 -11.841 -3.175 -19.622 1.00 0.00 O ATOM 94 CB THR A 9 -8.756 -2.685 -19.613 1.00 0.00 C ATOM 95 OG1 THR A 9 -7.517 -2.613 -20.327 1.00 0.00 O ATOM 96 CG2 THR A 9 -8.481 -2.839 -18.124 1.00 0.00 C ATOM 0 H THR A 9 -10.375 -2.904 -21.833 1.00 0.00 H new ATOM 0 HA THR A 9 -9.046 -4.789 -19.993 1.00 0.00 H new ATOM 0 HB THR A 9 -9.319 -1.765 -19.770 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.987 -1.861 -19.988 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.884 -1.997 -17.775 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.425 -2.864 -17.580 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.937 -3.767 -17.949 1.00 0.00 H new ATOM 104 N HIS A 10 -10.960 -4.832 -18.380 1.00 0.00 N ATOM 105 CA HIS A 10 -12.152 -4.995 -17.554 1.00 0.00 C ATOM 106 C HIS A 10 -11.953 -4.357 -16.182 1.00 0.00 C ATOM 107 O HIS A 10 -12.331 -4.930 -15.161 1.00 0.00 O ATOM 108 CB HIS A 10 -12.490 -6.477 -17.397 1.00 0.00 C ATOM 109 CG HIS A 10 -13.671 -6.731 -16.511 1.00 0.00 C ATOM 110 ND1 HIS A 10 -14.966 -6.435 -16.880 1.00 0.00 N ATOM 111 CD2 HIS A 10 -13.747 -7.257 -15.266 1.00 0.00 C ATOM 112 CE1 HIS A 10 -15.788 -6.767 -15.900 1.00 0.00 C ATOM 113 NE2 HIS A 10 -15.073 -7.269 -14.909 1.00 0.00 N ATOM 0 H HIS A 10 -10.194 -5.463 -18.144 1.00 0.00 H new ATOM 0 HA HIS A 10 -12.981 -4.492 -18.052 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -12.686 -6.903 -18.381 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.623 -6.998 -16.991 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.919 -7.603 -14.665 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -16.861 -6.648 -15.908 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -15.445 -7.610 -14.023 1.00 0.00 H new ATOM 121 N SER A 11 -11.356 -3.169 -16.168 1.00 0.00 N ATOM 122 CA SER A 11 -11.103 -2.457 -14.921 1.00 0.00 C ATOM 123 C SER A 11 -12.243 -2.672 -13.931 1.00 0.00 C ATOM 124 O SER A 11 -13.415 -2.658 -14.304 1.00 0.00 O ATOM 125 CB SER A 11 -10.922 -0.962 -15.192 1.00 0.00 C ATOM 126 OG SER A 11 -10.269 -0.323 -14.109 1.00 0.00 O ATOM 0 H SER A 11 -11.039 -2.680 -17.005 1.00 0.00 H new ATOM 0 HA SER A 11 -10.187 -2.854 -14.484 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.342 -0.822 -16.104 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.895 -0.499 -15.359 1.00 0.00 H new ATOM 0 HG SER A 11 -10.164 0.631 -14.307 1.00 0.00 H new ATOM 132 N GLY A 12 -11.889 -2.872 -12.665 1.00 0.00 N ATOM 133 CA GLY A 12 -12.893 -3.088 -11.639 1.00 0.00 C ATOM 134 C GLY A 12 -12.331 -3.783 -10.415 1.00 0.00 C ATOM 135 O GLY A 12 -12.065 -3.143 -9.398 1.00 0.00 O ATOM 0 H GLY A 12 -10.925 -2.888 -12.332 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.319 -2.129 -11.345 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.706 -3.686 -12.051 1.00 0.00 H new ATOM 139 N GLU A 13 -12.151 -5.097 -10.512 1.00 0.00 N ATOM 140 CA GLU A 13 -11.619 -5.878 -9.402 1.00 0.00 C ATOM 141 C GLU A 13 -10.307 -5.284 -8.898 1.00 0.00 C ATOM 142 O GLU A 13 -9.318 -5.222 -9.629 1.00 0.00 O ATOM 143 CB GLU A 13 -11.402 -7.331 -9.830 1.00 0.00 C ATOM 144 CG GLU A 13 -10.774 -8.196 -8.750 1.00 0.00 C ATOM 145 CD GLU A 13 -10.830 -9.675 -9.082 1.00 0.00 C ATOM 146 OE1 GLU A 13 -10.434 -10.047 -10.206 1.00 0.00 O ATOM 147 OE2 GLU A 13 -11.269 -10.460 -8.215 1.00 0.00 O ATOM 0 H GLU A 13 -12.366 -5.642 -11.347 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.346 -5.850 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.360 -7.763 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.765 -7.349 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.735 -7.898 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.287 -8.020 -7.804 1.00 0.00 H new ATOM 154 N LYS A 14 -10.305 -4.848 -7.643 1.00 0.00 N ATOM 155 CA LYS A 14 -9.116 -4.259 -7.038 1.00 0.00 C ATOM 156 C LYS A 14 -9.143 -4.417 -5.521 1.00 0.00 C ATOM 157 O LYS A 14 -9.874 -3.723 -4.813 1.00 0.00 O ATOM 158 CB LYS A 14 -9.013 -2.777 -7.406 1.00 0.00 C ATOM 159 CG LYS A 14 -8.988 -2.523 -8.903 1.00 0.00 C ATOM 160 CD LYS A 14 -9.083 -1.039 -9.217 1.00 0.00 C ATOM 161 CE LYS A 14 -8.544 -0.728 -10.606 1.00 0.00 C ATOM 162 NZ LYS A 14 -8.482 0.737 -10.861 1.00 0.00 N ATOM 0 H LYS A 14 -11.115 -4.891 -7.024 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.243 -4.785 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.857 -2.243 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.109 -2.362 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.069 -2.928 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.816 -3.050 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.122 -0.717 -9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.524 -0.472 -8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.548 -1.158 -10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.178 -1.201 -11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.900 0.918 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.443 1.103 -11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.060 1.215 -10.039 1.00 0.00 H new ATOM 176 N PRO A 15 -8.326 -5.349 -5.008 1.00 0.00 N ATOM 177 CA PRO A 15 -8.236 -5.617 -3.569 1.00 0.00 C ATOM 178 C PRO A 15 -7.573 -4.476 -2.807 1.00 0.00 C ATOM 179 O PRO A 15 -7.362 -4.564 -1.597 1.00 0.00 O ATOM 180 CB PRO A 15 -7.375 -6.881 -3.497 1.00 0.00 C ATOM 181 CG PRO A 15 -6.560 -6.855 -4.745 1.00 0.00 C ATOM 182 CD PRO A 15 -7.427 -6.212 -5.792 1.00 0.00 C ATOM 0 HA PRO A 15 -9.220 -5.728 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.741 -6.879 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.992 -7.778 -3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.640 -6.289 -4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.270 -7.863 -5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.836 -5.635 -6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.982 -6.954 -6.366 1.00 0.00 H new ATOM 190 N TYR A 16 -7.246 -3.405 -3.521 1.00 0.00 N ATOM 191 CA TYR A 16 -6.604 -2.246 -2.912 1.00 0.00 C ATOM 192 C TYR A 16 -7.296 -0.954 -3.336 1.00 0.00 C ATOM 193 O TYR A 16 -7.988 -0.913 -4.352 1.00 0.00 O ATOM 194 CB TYR A 16 -5.124 -2.195 -3.297 1.00 0.00 C ATOM 195 CG TYR A 16 -4.274 -3.211 -2.569 1.00 0.00 C ATOM 196 CD1 TYR A 16 -3.835 -2.978 -1.271 1.00 0.00 C ATOM 197 CD2 TYR A 16 -3.908 -4.405 -3.179 1.00 0.00 C ATOM 198 CE1 TYR A 16 -3.058 -3.903 -0.603 1.00 0.00 C ATOM 199 CE2 TYR A 16 -3.131 -5.336 -2.517 1.00 0.00 C ATOM 200 CZ TYR A 16 -2.709 -5.081 -1.229 1.00 0.00 C ATOM 201 OH TYR A 16 -1.934 -6.006 -0.567 1.00 0.00 O ATOM 0 H TYR A 16 -7.415 -3.315 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.688 -2.343 -1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.031 -2.358 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.738 -1.197 -3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.107 -2.057 -0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.237 -4.608 -4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.725 -3.705 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.855 -6.259 -3.006 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.780 -6.780 -1.148 1.00 0.00 H new ATOM 211 N GLU A 17 -7.103 0.099 -2.548 1.00 0.00 N ATOM 212 CA GLU A 17 -7.708 1.393 -2.841 1.00 0.00 C ATOM 213 C GLU A 17 -7.134 2.479 -1.937 1.00 0.00 C ATOM 214 O GLU A 17 -6.826 2.234 -0.770 1.00 0.00 O ATOM 215 CB GLU A 17 -9.227 1.320 -2.669 1.00 0.00 C ATOM 216 CG GLU A 17 -9.932 2.641 -2.926 1.00 0.00 C ATOM 217 CD GLU A 17 -11.248 2.755 -2.181 1.00 0.00 C ATOM 218 OE1 GLU A 17 -12.132 1.902 -2.407 1.00 0.00 O ATOM 219 OE2 GLU A 17 -11.394 3.696 -1.374 1.00 0.00 O ATOM 0 H GLU A 17 -6.533 0.081 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.478 1.648 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.625 0.567 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.454 0.987 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.278 3.461 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.114 2.750 -3.995 1.00 0.00 H new ATOM 226 N CYS A 18 -6.992 3.682 -2.484 1.00 0.00 N ATOM 227 CA CYS A 18 -6.455 4.808 -1.729 1.00 0.00 C ATOM 228 C CYS A 18 -7.507 5.383 -0.786 1.00 0.00 C ATOM 229 O CYS A 18 -8.617 5.712 -1.205 1.00 0.00 O ATOM 230 CB CYS A 18 -5.958 5.897 -2.682 1.00 0.00 C ATOM 231 SG CYS A 18 -4.970 7.197 -1.874 1.00 0.00 S ATOM 0 H CYS A 18 -7.242 3.902 -3.448 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.618 4.446 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.358 5.433 -3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.817 6.358 -3.169 1.00 0.00 H new ATOM 236 N TYR A 19 -7.151 5.501 0.488 1.00 0.00 N ATOM 237 CA TYR A 19 -8.065 6.034 1.491 1.00 0.00 C ATOM 238 C TYR A 19 -8.017 7.559 1.516 1.00 0.00 C ATOM 239 O TYR A 19 -8.532 8.192 2.438 1.00 0.00 O ATOM 240 CB TYR A 19 -7.718 5.479 2.874 1.00 0.00 C ATOM 241 CG TYR A 19 -6.233 5.448 3.159 1.00 0.00 C ATOM 242 CD1 TYR A 19 -5.544 6.609 3.487 1.00 0.00 C ATOM 243 CD2 TYR A 19 -5.520 4.257 3.101 1.00 0.00 C ATOM 244 CE1 TYR A 19 -4.188 6.585 3.747 1.00 0.00 C ATOM 245 CE2 TYR A 19 -4.164 4.223 3.361 1.00 0.00 C ATOM 246 CZ TYR A 19 -3.502 5.390 3.684 1.00 0.00 C ATOM 247 OH TYR A 19 -2.151 5.362 3.944 1.00 0.00 O ATOM 0 H TYR A 19 -6.236 5.235 0.851 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.076 5.724 1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.213 6.084 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.117 4.469 2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.078 7.546 3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.035 3.342 2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.667 7.497 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.625 3.289 3.312 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.820 4.443 3.858 1.00 0.00 H new ATOM 257 N ILE A 20 -7.394 8.141 0.497 1.00 0.00 N ATOM 258 CA ILE A 20 -7.280 9.591 0.400 1.00 0.00 C ATOM 259 C ILE A 20 -8.145 10.137 -0.731 1.00 0.00 C ATOM 260 O ILE A 20 -8.944 11.052 -0.530 1.00 0.00 O ATOM 261 CB ILE A 20 -5.821 10.027 0.171 1.00 0.00 C ATOM 262 CG1 ILE A 20 -4.943 9.584 1.344 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.741 11.534 -0.018 1.00 0.00 C ATOM 264 CD1 ILE A 20 -3.464 9.790 1.103 1.00 0.00 C ATOM 0 H ILE A 20 -6.961 7.631 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.628 9.998 1.349 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.453 9.547 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.238 10.136 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.126 8.529 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.703 11.826 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.338 11.824 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.125 12.033 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.903 9.454 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.154 9.216 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.267 10.848 0.930 1.00 0.00 H new ATOM 276 N CYS A 21 -7.982 9.568 -1.920 1.00 0.00 N ATOM 277 CA CYS A 21 -8.748 9.995 -3.085 1.00 0.00 C ATOM 278 C CYS A 21 -9.787 8.945 -3.467 1.00 0.00 C ATOM 279 O CYS A 21 -10.684 9.206 -4.270 1.00 0.00 O ATOM 280 CB CYS A 21 -7.814 10.258 -4.268 1.00 0.00 C ATOM 281 SG CYS A 21 -6.742 8.849 -4.697 1.00 0.00 S ATOM 0 H CYS A 21 -7.326 8.809 -2.103 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.267 10.919 -2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.414 10.523 -5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.188 11.120 -4.038 1.00 0.00 H new ATOM 286 N HIS A 22 -9.661 7.756 -2.886 1.00 0.00 N ATOM 287 CA HIS A 22 -10.589 6.666 -3.165 1.00 0.00 C ATOM 288 C HIS A 22 -10.317 6.058 -4.537 1.00 0.00 C ATOM 289 O HIS A 22 -11.244 5.705 -5.265 1.00 0.00 O ATOM 290 CB HIS A 22 -12.032 7.166 -3.093 1.00 0.00 C ATOM 291 CG HIS A 22 -12.294 8.073 -1.930 1.00 0.00 C ATOM 292 ND1 HIS A 22 -12.134 9.411 -1.798 1.00 0.00 N flip ATOM 293 CD2 HIS A 22 -12.779 7.625 -0.720 1.00 0.00 C flip ATOM 294 CE1 HIS A 22 -12.523 9.743 -0.523 1.00 0.00 C flip ATOM 295 NE2 HIS A 22 -12.908 8.648 0.106 1.00 0.00 N flip ATOM 0 H HIS A 22 -8.925 7.523 -2.219 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.441 5.894 -2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.271 7.694 -4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.702 6.309 -3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.016 6.598 -0.484 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.515 10.738 -0.103 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.247 8.600 1.067 1.00 0.00 H new ATOM 303 N ALA A 23 -9.039 5.939 -4.884 1.00 0.00 N ATOM 304 CA ALA A 23 -8.645 5.372 -6.168 1.00 0.00 C ATOM 305 C ALA A 23 -8.269 3.902 -6.026 1.00 0.00 C ATOM 306 O ALA A 23 -7.223 3.570 -5.468 1.00 0.00 O ATOM 307 CB ALA A 23 -7.487 6.161 -6.759 1.00 0.00 C ATOM 0 H ALA A 23 -8.259 6.228 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.497 5.438 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.203 5.727 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.790 7.198 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.637 6.125 -6.078 1.00 0.00 H new ATOM 313 N ARG A 24 -9.127 3.024 -6.535 1.00 0.00 N ATOM 314 CA ARG A 24 -8.885 1.588 -6.464 1.00 0.00 C ATOM 315 C ARG A 24 -7.581 1.221 -7.166 1.00 0.00 C ATOM 316 O ARG A 24 -7.125 1.932 -8.062 1.00 0.00 O ATOM 317 CB ARG A 24 -10.049 0.821 -7.093 1.00 0.00 C ATOM 318 CG ARG A 24 -11.394 1.119 -6.450 1.00 0.00 C ATOM 319 CD ARG A 24 -11.723 0.116 -5.356 1.00 0.00 C ATOM 320 NE ARG A 24 -13.163 -0.044 -5.175 1.00 0.00 N ATOM 321 CZ ARG A 24 -13.711 -1.037 -4.484 1.00 0.00 C ATOM 322 NH1 ARG A 24 -12.943 -1.954 -3.912 1.00 0.00 N ATOM 323 NH2 ARG A 24 -15.030 -1.115 -4.364 1.00 0.00 N ATOM 0 H ARG A 24 -9.997 3.282 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.802 1.311 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.102 1.064 -8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.850 -0.248 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.383 2.125 -6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.175 1.099 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.279 -0.848 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.274 0.442 -4.418 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.782 0.645 -5.603 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.929 -1.898 -4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.367 -2.716 -3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.624 -0.412 -4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.450 -1.878 -3.833 1.00 0.00 H new ATOM 337 N PHE A 25 -6.985 0.108 -6.752 1.00 0.00 N ATOM 338 CA PHE A 25 -5.733 -0.353 -7.340 1.00 0.00 C ATOM 339 C PHE A 25 -5.654 -1.877 -7.327 1.00 0.00 C ATOM 340 O PHE A 25 -5.982 -2.519 -6.329 1.00 0.00 O ATOM 341 CB PHE A 25 -4.541 0.237 -6.582 1.00 0.00 C ATOM 342 CG PHE A 25 -4.381 1.718 -6.777 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.730 2.216 -7.894 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.881 2.611 -5.843 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.581 3.578 -8.075 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.734 3.974 -6.019 1.00 0.00 C ATOM 347 CZ PHE A 25 -4.084 4.458 -7.137 1.00 0.00 C ATOM 0 H PHE A 25 -7.349 -0.492 -6.011 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.701 -0.014 -8.375 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.658 0.029 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.630 -0.265 -6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.335 1.533 -8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.391 2.238 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.071 3.954 -8.950 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.127 4.660 -5.283 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.969 5.523 -7.278 1.00 0.00 H new ATOM 357 N THR A 26 -5.216 -2.450 -8.444 1.00 0.00 N ATOM 358 CA THR A 26 -5.096 -3.898 -8.563 1.00 0.00 C ATOM 359 C THR A 26 -3.669 -4.355 -8.282 1.00 0.00 C ATOM 360 O THR A 26 -3.275 -5.456 -8.665 1.00 0.00 O ATOM 361 CB THR A 26 -5.511 -4.382 -9.965 1.00 0.00 C ATOM 362 OG1 THR A 26 -5.496 -5.813 -10.013 1.00 0.00 O ATOM 363 CG2 THR A 26 -4.579 -3.824 -11.029 1.00 0.00 C ATOM 0 H THR A 26 -4.939 -1.934 -9.279 1.00 0.00 H new ATOM 0 HA THR A 26 -5.767 -4.334 -7.823 1.00 0.00 H new ATOM 0 HB THR A 26 -6.520 -4.022 -10.165 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.655 -6.144 -9.635 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.893 -4.180 -12.010 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.615 -2.735 -11.009 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.560 -4.157 -10.831 1.00 0.00 H new ATOM 371 N GLN A 27 -2.901 -3.504 -7.610 1.00 0.00 N ATOM 372 CA GLN A 27 -1.517 -3.823 -7.278 1.00 0.00 C ATOM 373 C GLN A 27 -1.081 -3.096 -6.010 1.00 0.00 C ATOM 374 O GLN A 27 -0.933 -1.874 -6.004 1.00 0.00 O ATOM 375 CB GLN A 27 -0.593 -3.450 -8.438 1.00 0.00 C ATOM 376 CG GLN A 27 -0.733 -4.363 -9.645 1.00 0.00 C ATOM 377 CD GLN A 27 0.418 -4.220 -10.622 1.00 0.00 C ATOM 378 OE1 GLN A 27 1.370 -3.480 -10.373 1.00 0.00 O ATOM 379 NE2 GLN A 27 0.336 -4.930 -11.741 1.00 0.00 N ATOM 0 H GLN A 27 -3.213 -2.589 -7.285 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.450 -4.896 -7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.802 -2.424 -8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.440 -3.476 -8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.792 -5.398 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.669 -4.141 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.472 -5.531 -11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.081 -4.875 -12.436 1.00 0.00 H new ATOM 388 N SER A 28 -0.876 -3.855 -4.939 1.00 0.00 N ATOM 389 CA SER A 28 -0.460 -3.282 -3.664 1.00 0.00 C ATOM 390 C SER A 28 0.662 -2.268 -3.864 1.00 0.00 C ATOM 391 O SER A 28 0.691 -1.222 -3.216 1.00 0.00 O ATOM 392 CB SER A 28 0.001 -4.387 -2.711 1.00 0.00 C ATOM 393 OG SER A 28 1.196 -4.993 -3.171 1.00 0.00 O ATOM 0 H SER A 28 -0.991 -4.868 -4.928 1.00 0.00 H new ATOM 0 HA SER A 28 -1.317 -2.769 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.161 -3.970 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.781 -5.141 -2.619 1.00 0.00 H new ATOM 0 HG SER A 28 1.470 -5.694 -2.543 1.00 0.00 H new ATOM 399 N GLY A 29 1.584 -2.585 -4.768 1.00 0.00 N ATOM 400 CA GLY A 29 2.695 -1.692 -5.039 1.00 0.00 C ATOM 401 C GLY A 29 2.246 -0.366 -5.620 1.00 0.00 C ATOM 402 O GLY A 29 2.600 0.697 -5.110 1.00 0.00 O ATOM 0 H GLY A 29 1.581 -3.444 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.246 -1.512 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.384 -2.174 -5.733 1.00 0.00 H new ATOM 406 N THR A 30 1.463 -0.428 -6.693 1.00 0.00 N ATOM 407 CA THR A 30 0.967 0.777 -7.347 1.00 0.00 C ATOM 408 C THR A 30 0.323 1.723 -6.340 1.00 0.00 C ATOM 409 O THR A 30 0.679 2.898 -6.264 1.00 0.00 O ATOM 410 CB THR A 30 -0.059 0.438 -8.445 1.00 0.00 C ATOM 411 OG1 THR A 30 0.521 -0.462 -9.396 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.529 1.699 -9.154 1.00 0.00 C ATOM 0 H THR A 30 1.159 -1.299 -7.127 1.00 0.00 H new ATOM 0 HA THR A 30 1.827 1.267 -7.803 1.00 0.00 H new ATOM 0 HB THR A 30 -0.919 -0.037 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.138 -0.674 -10.090 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.253 1.435 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.996 2.370 -8.433 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.324 2.198 -9.613 1.00 0.00 H new ATOM 420 N MET A 31 -0.627 1.202 -5.570 1.00 0.00 N ATOM 421 CA MET A 31 -1.319 2.002 -4.566 1.00 0.00 C ATOM 422 C MET A 31 -0.324 2.688 -3.636 1.00 0.00 C ATOM 423 O MET A 31 -0.275 3.916 -3.559 1.00 0.00 O ATOM 424 CB MET A 31 -2.273 1.124 -3.753 1.00 0.00 C ATOM 425 CG MET A 31 -3.234 1.916 -2.881 1.00 0.00 C ATOM 426 SD MET A 31 -4.054 0.893 -1.644 1.00 0.00 S ATOM 427 CE MET A 31 -2.642 0.145 -0.834 1.00 0.00 C ATOM 0 H MET A 31 -0.935 0.231 -5.622 1.00 0.00 H new ATOM 0 HA MET A 31 -1.894 2.770 -5.083 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.847 0.497 -4.435 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.689 0.455 -3.121 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.689 2.717 -2.381 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.986 2.388 -3.513 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.946 -0.252 0.135 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.254 -0.665 -1.452 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.865 0.896 -0.691 1.00 0.00 H new ATOM 437 N LYS A 32 0.469 1.888 -2.931 1.00 0.00 N ATOM 438 CA LYS A 32 1.464 2.418 -2.006 1.00 0.00 C ATOM 439 C LYS A 32 2.266 3.541 -2.656 1.00 0.00 C ATOM 440 O LYS A 32 2.503 4.582 -2.043 1.00 0.00 O ATOM 441 CB LYS A 32 2.407 1.304 -1.546 1.00 0.00 C ATOM 442 CG LYS A 32 1.704 0.181 -0.803 1.00 0.00 C ATOM 443 CD LYS A 32 2.569 -1.067 -0.731 1.00 0.00 C ATOM 444 CE LYS A 32 1.804 -2.241 -0.140 1.00 0.00 C ATOM 445 NZ LYS A 32 2.615 -3.491 -0.147 1.00 0.00 N ATOM 0 H LYS A 32 0.442 0.870 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 32 0.940 2.823 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.918 0.890 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.174 1.732 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.455 0.511 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.764 -0.055 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.920 -1.326 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.452 -0.865 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.509 -2.005 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.887 -2.400 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.059 -4.268 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.875 -3.731 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.478 -3.348 0.416 1.00 0.00 H new ATOM 459 N MET A 33 2.681 3.324 -3.899 1.00 0.00 N ATOM 460 CA MET A 33 3.454 4.319 -4.632 1.00 0.00 C ATOM 461 C MET A 33 2.600 5.540 -4.957 1.00 0.00 C ATOM 462 O MET A 33 3.097 6.666 -4.995 1.00 0.00 O ATOM 463 CB MET A 33 4.013 3.715 -5.922 1.00 0.00 C ATOM 464 CG MET A 33 5.387 3.088 -5.754 1.00 0.00 C ATOM 465 SD MET A 33 5.918 2.177 -7.217 1.00 0.00 S ATOM 466 CE MET A 33 5.267 0.548 -6.855 1.00 0.00 C ATOM 0 H MET A 33 2.495 2.467 -4.420 1.00 0.00 H new ATOM 0 HA MET A 33 4.283 4.635 -3.999 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.320 2.958 -6.289 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.068 4.493 -6.683 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.114 3.869 -5.533 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.373 2.415 -4.897 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.005 -0.207 -7.126 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.045 0.473 -5.790 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.354 0.385 -7.428 1.00 0.00 H new ATOM 476 N HIS A 34 1.311 5.310 -5.191 1.00 0.00 N ATOM 477 CA HIS A 34 0.388 6.392 -5.513 1.00 0.00 C ATOM 478 C HIS A 34 0.141 7.276 -4.294 1.00 0.00 C ATOM 479 O HIS A 34 0.027 8.496 -4.414 1.00 0.00 O ATOM 480 CB HIS A 34 -0.938 5.825 -6.023 1.00 0.00 C ATOM 481 CG HIS A 34 -2.055 6.822 -6.025 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.359 7.608 -7.117 1.00 0.00 N ATOM 483 CD2 HIS A 34 -2.944 7.159 -5.062 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.386 8.386 -6.824 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.760 8.132 -5.583 1.00 0.00 N ATOM 0 H HIS A 34 0.883 4.385 -5.164 1.00 0.00 H new ATOM 0 HA HIS A 34 0.840 7.001 -6.296 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.797 5.448 -7.036 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.222 4.975 -5.403 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.868 7.591 -8.011 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.001 6.740 -4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.842 9.107 -7.486 1.00 0.00 H new ATOM 493 N ILE A 35 0.059 6.652 -3.124 1.00 0.00 N ATOM 494 CA ILE A 35 -0.174 7.383 -1.884 1.00 0.00 C ATOM 495 C ILE A 35 1.066 8.165 -1.466 1.00 0.00 C ATOM 496 O ILE A 35 0.966 9.218 -0.835 1.00 0.00 O ATOM 497 CB ILE A 35 -0.579 6.435 -0.740 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.786 5.590 -1.151 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.886 7.228 0.522 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.223 4.604 -0.091 1.00 0.00 C ATOM 0 H ILE A 35 0.150 5.643 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.991 8.078 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 35 0.255 5.765 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.620 6.252 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.544 5.046 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.171 6.544 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.002 7.790 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.706 7.919 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.083 4.040 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.405 3.918 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.497 5.143 0.816 1.00 0.00 H new ATOM 512 N LEU A 36 2.235 7.645 -1.823 1.00 0.00 N ATOM 513 CA LEU A 36 3.497 8.296 -1.487 1.00 0.00 C ATOM 514 C LEU A 36 3.965 9.198 -2.624 1.00 0.00 C ATOM 515 O LEU A 36 4.927 9.950 -2.476 1.00 0.00 O ATOM 516 CB LEU A 36 4.568 7.248 -1.178 1.00 0.00 C ATOM 517 CG LEU A 36 5.399 6.767 -2.369 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.556 7.718 -2.631 1.00 0.00 C ATOM 519 CD2 LEU A 36 5.911 5.355 -2.126 1.00 0.00 C ATOM 0 H LEU A 36 2.336 6.775 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 36 3.335 8.912 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.246 7.660 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.082 6.383 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 36 4.760 6.753 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.136 7.360 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.167 8.712 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.196 7.764 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.500 5.029 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.534 5.343 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.066 4.680 -1.989 1.00 0.00 H new ATOM 531 N GLN A 37 3.275 9.118 -3.758 1.00 0.00 N ATOM 532 CA GLN A 37 3.619 9.929 -4.920 1.00 0.00 C ATOM 533 C GLN A 37 2.675 11.119 -5.053 1.00 0.00 C ATOM 534 O GLN A 37 3.089 12.215 -5.430 1.00 0.00 O ATOM 535 CB GLN A 37 3.572 9.081 -6.192 1.00 0.00 C ATOM 536 CG GLN A 37 4.758 8.142 -6.342 1.00 0.00 C ATOM 537 CD GLN A 37 5.913 8.776 -7.091 1.00 0.00 C ATOM 538 OE1 GLN A 37 5.849 9.942 -7.482 1.00 0.00 O ATOM 539 NE2 GLN A 37 6.979 8.010 -7.296 1.00 0.00 N ATOM 0 H GLN A 37 2.475 8.500 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 37 4.632 10.307 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.653 8.495 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.531 9.742 -7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.098 7.831 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.440 7.242 -6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.990 7.049 -6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.787 8.383 -7.795 1.00 0.00 H new ATOM 548 N LYS A 38 1.403 10.896 -4.740 1.00 0.00 N ATOM 549 CA LYS A 38 0.398 11.949 -4.823 1.00 0.00 C ATOM 550 C LYS A 38 0.139 12.564 -3.451 1.00 0.00 C ATOM 551 O LYS A 38 -0.161 13.753 -3.339 1.00 0.00 O ATOM 552 CB LYS A 38 -0.907 11.394 -5.399 1.00 0.00 C ATOM 553 CG LYS A 38 -0.764 10.844 -6.808 1.00 0.00 C ATOM 554 CD LYS A 38 -0.541 11.955 -7.820 1.00 0.00 C ATOM 555 CE LYS A 38 0.281 11.473 -9.005 1.00 0.00 C ATOM 556 NZ LYS A 38 0.092 12.339 -10.202 1.00 0.00 N ATOM 0 H LYS A 38 1.044 9.994 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 38 0.778 12.727 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.276 10.604 -4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.659 12.183 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.072 10.145 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.660 10.283 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.503 12.327 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.032 12.790 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.336 11.456 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.001 10.449 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.669 11.976 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.911 12.335 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.385 13.311 -9.977 1.00 0.00 H new ATOM 570 N HIS A 39 0.259 11.747 -2.410 1.00 0.00 N ATOM 571 CA HIS A 39 0.040 12.211 -1.044 1.00 0.00 C ATOM 572 C HIS A 39 1.304 12.051 -0.206 1.00 0.00 C ATOM 573 O HIS A 39 1.269 11.492 0.890 1.00 0.00 O ATOM 574 CB HIS A 39 -1.114 11.442 -0.400 1.00 0.00 C ATOM 575 CG HIS A 39 -2.329 11.345 -1.271 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.093 12.438 -1.621 1.00 0.00 N ATOM 577 CD2 HIS A 39 -2.910 10.276 -1.864 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.093 12.046 -2.390 1.00 0.00 C ATOM 579 NE2 HIS A 39 -4.004 10.738 -2.554 1.00 0.00 N ATOM 0 H HIS A 39 0.507 10.760 -2.486 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.216 13.270 -1.084 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.775 10.437 -0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.386 11.929 0.537 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -2.914 13.399 -1.331 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.576 9.251 -1.805 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.854 12.686 -2.813 1.00 0.00 H new ATOM 587 N THR A 40 2.423 12.543 -0.730 1.00 0.00 N ATOM 588 CA THR A 40 3.699 12.453 -0.032 1.00 0.00 C ATOM 589 C THR A 40 3.732 13.384 1.174 1.00 0.00 C ATOM 590 O THR A 40 4.491 13.164 2.118 1.00 0.00 O ATOM 591 CB THR A 40 4.875 12.797 -0.965 1.00 0.00 C ATOM 592 OG1 THR A 40 6.083 12.918 -0.206 1.00 0.00 O ATOM 593 CG2 THR A 40 4.610 14.093 -1.716 1.00 0.00 C ATOM 0 H THR A 40 2.471 13.008 -1.636 1.00 0.00 H new ATOM 0 HA THR A 40 3.803 11.422 0.306 1.00 0.00 H new ATOM 0 HB THR A 40 4.981 11.991 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.826 13.135 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.455 14.315 -2.368 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.706 13.988 -2.316 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.479 14.907 -1.003 1.00 0.00 H new ATOM 601 N GLU A 41 2.906 14.424 1.136 1.00 0.00 N ATOM 602 CA GLU A 41 2.842 15.389 2.228 1.00 0.00 C ATOM 603 C GLU A 41 1.685 15.070 3.170 1.00 0.00 C ATOM 604 O GLU A 41 1.748 15.353 4.365 1.00 0.00 O ATOM 605 CB GLU A 41 2.688 16.808 1.676 1.00 0.00 C ATOM 606 CG GLU A 41 1.407 17.018 0.887 1.00 0.00 C ATOM 607 CD GLU A 41 1.201 18.465 0.483 1.00 0.00 C ATOM 608 OE1 GLU A 41 0.752 19.261 1.334 1.00 0.00 O ATOM 609 OE2 GLU A 41 1.490 18.802 -0.684 1.00 0.00 O ATOM 0 H GLU A 41 2.272 14.620 0.362 1.00 0.00 H new ATOM 0 HA GLU A 41 3.774 15.324 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.715 17.516 2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.541 17.034 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.429 16.395 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.558 16.687 1.485 1.00 0.00 H new ATOM 616 N ASN A 42 0.629 14.478 2.621 1.00 0.00 N ATOM 617 CA ASN A 42 -0.543 14.120 3.411 1.00 0.00 C ATOM 618 C ASN A 42 -0.304 12.828 4.186 1.00 0.00 C ATOM 619 O ASN A 42 -1.170 11.954 4.240 1.00 0.00 O ATOM 620 CB ASN A 42 -1.767 13.966 2.506 1.00 0.00 C ATOM 621 CG ASN A 42 -3.057 14.341 3.209 1.00 0.00 C ATOM 622 OD1 ASN A 42 -3.199 15.452 3.720 1.00 0.00 O ATOM 623 ND2 ASN A 42 -4.007 13.413 3.237 1.00 0.00 N ATOM 0 H ASN A 42 0.561 14.236 1.632 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.726 14.922 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.643 14.592 1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.832 12.935 2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.897 13.608 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.846 12.505 2.800 1.00 0.00 H new ATOM 630 N VAL A 43 0.877 12.714 4.786 1.00 0.00 N ATOM 631 CA VAL A 43 1.230 11.530 5.559 1.00 0.00 C ATOM 632 C VAL A 43 2.500 11.762 6.371 1.00 0.00 C ATOM 633 O VAL A 43 3.458 12.362 5.885 1.00 0.00 O ATOM 634 CB VAL A 43 1.433 10.304 4.648 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.369 10.643 3.498 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.966 9.127 5.451 1.00 0.00 C ATOM 0 H VAL A 43 1.605 13.428 4.751 1.00 0.00 H new ATOM 0 HA VAL A 43 0.399 11.336 6.237 1.00 0.00 H new ATOM 0 HB VAL A 43 0.468 10.021 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.501 9.765 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.942 11.455 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.336 10.952 3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.104 8.270 4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.922 9.396 5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.255 8.871 6.236 1.00 0.00 H new ATOM 646 N ALA A 44 2.500 11.282 7.610 1.00 0.00 N ATOM 647 CA ALA A 44 3.653 11.434 8.488 1.00 0.00 C ATOM 648 C ALA A 44 4.596 10.242 8.369 1.00 0.00 C ATOM 649 O ALA A 44 5.787 10.404 8.102 1.00 0.00 O ATOM 650 CB ALA A 44 3.198 11.608 9.930 1.00 0.00 C ATOM 0 H ALA A 44 1.714 10.784 8.028 1.00 0.00 H new ATOM 0 HA ALA A 44 4.198 12.326 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.069 11.720 10.575 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.571 12.496 10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.628 10.732 10.240 1.00 0.00 H new ATOM 656 N LYS A 45 4.056 9.045 8.569 1.00 0.00 N ATOM 657 CA LYS A 45 4.849 7.824 8.483 1.00 0.00 C ATOM 658 C LYS A 45 4.942 7.335 7.041 1.00 0.00 C ATOM 659 O LYS A 45 3.933 7.239 6.341 1.00 0.00 O ATOM 660 CB LYS A 45 4.238 6.732 9.364 1.00 0.00 C ATOM 661 CG LYS A 45 5.265 5.779 9.951 1.00 0.00 C ATOM 662 CD LYS A 45 4.603 4.664 10.743 1.00 0.00 C ATOM 663 CE LYS A 45 5.550 4.077 11.778 1.00 0.00 C ATOM 664 NZ LYS A 45 5.873 5.056 12.852 1.00 0.00 N ATOM 0 H LYS A 45 3.072 8.894 8.792 1.00 0.00 H new ATOM 0 HA LYS A 45 5.855 8.049 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.683 7.201 10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.520 6.161 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.865 5.350 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.947 6.331 10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.712 5.049 11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.274 3.879 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.099 3.188 12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.470 3.758 11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.192 4.547 13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.628 5.693 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.025 5.613 13.080 1.00 0.00 H new ATOM 678 N PHE A 46 6.158 7.027 6.602 1.00 0.00 N ATOM 679 CA PHE A 46 6.382 6.548 5.243 1.00 0.00 C ATOM 680 C PHE A 46 6.585 5.036 5.226 1.00 0.00 C ATOM 681 O PHE A 46 7.036 4.448 6.209 1.00 0.00 O ATOM 682 CB PHE A 46 7.597 7.244 4.628 1.00 0.00 C ATOM 683 CG PHE A 46 7.404 8.720 4.424 1.00 0.00 C ATOM 684 CD1 PHE A 46 7.587 9.607 5.472 1.00 0.00 C ATOM 685 CD2 PHE A 46 7.039 9.219 3.184 1.00 0.00 C ATOM 686 CE1 PHE A 46 7.409 10.965 5.286 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.860 10.576 2.992 1.00 0.00 C ATOM 688 CZ PHE A 46 7.046 11.450 4.045 1.00 0.00 C ATOM 0 H PHE A 46 7.004 7.101 7.168 1.00 0.00 H new ATOM 0 HA PHE A 46 5.498 6.785 4.651 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.462 7.085 5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.825 6.780 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.872 9.234 6.445 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.893 8.539 2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.554 11.647 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.575 10.952 2.020 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.908 12.511 3.898 1.00 0.00 H new ATOM 698 N HIS A 47 6.247 4.412 4.102 1.00 0.00 N ATOM 699 CA HIS A 47 6.392 2.968 3.956 1.00 0.00 C ATOM 700 C HIS A 47 6.945 2.614 2.578 1.00 0.00 C ATOM 701 O HIS A 47 6.553 3.203 1.571 1.00 0.00 O ATOM 702 CB HIS A 47 5.046 2.275 4.172 1.00 0.00 C ATOM 703 CG HIS A 47 4.715 2.046 5.614 1.00 0.00 C ATOM 704 ND1 HIS A 47 4.661 0.792 6.184 1.00 0.00 N ATOM 705 CD2 HIS A 47 4.422 2.921 6.605 1.00 0.00 C ATOM 706 CE1 HIS A 47 4.346 0.904 7.462 1.00 0.00 C ATOM 707 NE2 HIS A 47 4.196 2.186 7.743 1.00 0.00 N ATOM 0 H HIS A 47 5.871 4.883 3.279 1.00 0.00 H new ATOM 0 HA HIS A 47 7.097 2.620 4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.259 2.878 3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.053 1.317 3.653 1.00 0.00 H new ATOM 0 HD1 HIS A 47 4.837 -0.086 5.695 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.375 3.996 6.517 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.231 0.087 8.158 1.00 0.00 H new ATOM 715 N CYS A 48 7.858 1.649 2.543 1.00 0.00 N ATOM 716 CA CYS A 48 8.466 1.217 1.290 1.00 0.00 C ATOM 717 C CYS A 48 7.434 0.547 0.387 1.00 0.00 C ATOM 718 O CYS A 48 6.739 -0.388 0.785 1.00 0.00 O ATOM 719 CB CYS A 48 9.621 0.253 1.566 1.00 0.00 C ATOM 720 SG CYS A 48 10.343 -0.490 0.068 1.00 0.00 S ATOM 0 H CYS A 48 8.193 1.151 3.368 1.00 0.00 H new ATOM 0 HA CYS A 48 8.852 2.099 0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.403 0.785 2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.267 -0.544 2.219 1.00 0.00 H new ATOM 725 N PRO A 49 7.331 1.036 -0.858 1.00 0.00 N ATOM 726 CA PRO A 49 6.388 0.499 -1.843 1.00 0.00 C ATOM 727 C PRO A 49 6.778 -0.897 -2.318 1.00 0.00 C ATOM 728 O PRO A 49 6.244 -1.398 -3.308 1.00 0.00 O ATOM 729 CB PRO A 49 6.474 1.500 -2.998 1.00 0.00 C ATOM 730 CG PRO A 49 7.828 2.109 -2.872 1.00 0.00 C ATOM 731 CD PRO A 49 8.128 2.150 -1.399 1.00 0.00 C ATOM 0 HA PRO A 49 5.385 0.389 -1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.351 1.005 -3.961 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.692 2.256 -2.926 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.573 1.518 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.847 3.110 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.192 2.016 -1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.839 3.103 -0.956 1.00 0.00 H new ATOM 739 N HIS A 50 7.711 -1.520 -1.606 1.00 0.00 N ATOM 740 CA HIS A 50 8.172 -2.859 -1.955 1.00 0.00 C ATOM 741 C HIS A 50 8.057 -3.801 -0.760 1.00 0.00 C ATOM 742 O HIS A 50 7.190 -4.675 -0.726 1.00 0.00 O ATOM 743 CB HIS A 50 9.619 -2.813 -2.445 1.00 0.00 C ATOM 744 CG HIS A 50 9.867 -1.759 -3.480 1.00 0.00 C ATOM 745 ND1 HIS A 50 9.124 -1.651 -4.637 1.00 0.00 N ATOM 746 CD2 HIS A 50 10.781 -0.762 -3.527 1.00 0.00 C ATOM 747 CE1 HIS A 50 9.572 -0.634 -5.352 1.00 0.00 C ATOM 748 NE2 HIS A 50 10.577 -0.078 -4.700 1.00 0.00 N ATOM 0 H HIS A 50 8.163 -1.119 -0.784 1.00 0.00 H new ATOM 0 HA HIS A 50 7.538 -3.237 -2.757 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.277 -2.637 -1.594 1.00 0.00 H new ATOM 0 HB3 HIS A 50 9.885 -3.786 -2.858 1.00 0.00 H new ATOM 0 HD1 HIS A 50 8.350 -2.261 -4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.531 -0.545 -2.781 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.183 -0.312 -6.307 1.00 0.00 H new ATOM 756 N CYS A 51 8.937 -3.618 0.218 1.00 0.00 N ATOM 757 CA CYS A 51 8.936 -4.452 1.414 1.00 0.00 C ATOM 758 C CYS A 51 8.345 -3.698 2.602 1.00 0.00 C ATOM 759 O CYS A 51 8.294 -2.468 2.607 1.00 0.00 O ATOM 760 CB CYS A 51 10.358 -4.909 1.744 1.00 0.00 C ATOM 761 SG CYS A 51 11.458 -3.571 2.307 1.00 0.00 S ATOM 0 H CYS A 51 9.661 -2.899 0.206 1.00 0.00 H new ATOM 0 HA CYS A 51 8.317 -5.327 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.311 -5.676 2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.793 -5.374 0.859 1.00 0.00 H new ATOM 766 N ASP A 52 7.899 -4.444 3.607 1.00 0.00 N ATOM 767 CA ASP A 52 7.312 -3.848 4.801 1.00 0.00 C ATOM 768 C ASP A 52 8.387 -3.202 5.670 1.00 0.00 C ATOM 769 O ASP A 52 8.863 -3.801 6.635 1.00 0.00 O ATOM 770 CB ASP A 52 6.554 -4.905 5.606 1.00 0.00 C ATOM 771 CG ASP A 52 5.323 -5.412 4.881 1.00 0.00 C ATOM 772 OD1 ASP A 52 5.408 -5.644 3.657 1.00 0.00 O ATOM 773 OD2 ASP A 52 4.274 -5.576 5.538 1.00 0.00 O ATOM 0 H ASP A 52 7.933 -5.463 3.618 1.00 0.00 H new ATOM 0 HA ASP A 52 6.612 -3.074 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.219 -5.743 5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.258 -4.483 6.567 1.00 0.00 H new ATOM 778 N THR A 53 8.766 -1.977 5.321 1.00 0.00 N ATOM 779 CA THR A 53 9.786 -1.251 6.067 1.00 0.00 C ATOM 780 C THR A 53 9.342 0.178 6.358 1.00 0.00 C ATOM 781 O THR A 53 8.818 0.866 5.482 1.00 0.00 O ATOM 782 CB THR A 53 11.123 -1.216 5.303 1.00 0.00 C ATOM 783 OG1 THR A 53 11.620 -2.547 5.124 1.00 0.00 O ATOM 784 CG2 THR A 53 12.152 -0.381 6.051 1.00 0.00 C ATOM 0 H THR A 53 8.382 -1.467 4.526 1.00 0.00 H new ATOM 0 HA THR A 53 9.928 -1.783 7.008 1.00 0.00 H new ATOM 0 HB THR A 53 10.948 -0.760 4.329 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.267 -2.918 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.088 -0.371 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.783 0.639 6.160 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.323 -0.812 7.037 1.00 0.00 H new ATOM 792 N VAL A 54 9.555 0.620 7.593 1.00 0.00 N ATOM 793 CA VAL A 54 9.179 1.969 7.998 1.00 0.00 C ATOM 794 C VAL A 54 10.254 2.979 7.614 1.00 0.00 C ATOM 795 O VAL A 54 11.448 2.702 7.726 1.00 0.00 O ATOM 796 CB VAL A 54 8.933 2.051 9.517 1.00 0.00 C ATOM 797 CG1 VAL A 54 8.604 3.477 9.929 1.00 0.00 C ATOM 798 CG2 VAL A 54 7.820 1.098 9.928 1.00 0.00 C ATOM 0 H VAL A 54 9.986 0.063 8.331 1.00 0.00 H new ATOM 0 HA VAL A 54 8.254 2.210 7.473 1.00 0.00 H new ATOM 0 HB VAL A 54 9.846 1.752 10.032 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.434 3.515 11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.436 4.132 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.706 3.808 9.408 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.659 1.169 11.004 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.901 1.365 9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.101 0.077 9.669 1.00 0.00 H new ATOM 808 N ILE A 55 9.822 4.151 7.160 1.00 0.00 N ATOM 809 CA ILE A 55 10.748 5.203 6.760 1.00 0.00 C ATOM 810 C ILE A 55 10.405 6.524 7.439 1.00 0.00 C ATOM 811 O ILE A 55 9.299 7.043 7.289 1.00 0.00 O ATOM 812 CB ILE A 55 10.742 5.407 5.233 1.00 0.00 C ATOM 813 CG1 ILE A 55 11.192 4.128 4.524 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.640 6.574 4.852 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.616 3.728 4.843 1.00 0.00 C ATOM 0 H ILE A 55 8.837 4.396 7.060 1.00 0.00 H new ATOM 0 HA ILE A 55 11.742 4.884 7.072 1.00 0.00 H new ATOM 0 HB ILE A 55 9.725 5.637 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.523 3.313 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.095 4.266 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.626 6.706 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.279 7.483 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.660 6.370 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.866 2.813 4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.295 4.525 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.715 3.557 5.915 1.00 0.00 H new ATOM 827 N ALA A 56 11.362 7.065 8.186 1.00 0.00 N ATOM 828 CA ALA A 56 11.163 8.328 8.886 1.00 0.00 C ATOM 829 C ALA A 56 10.494 9.357 7.981 1.00 0.00 C ATOM 830 O ALA A 56 9.304 9.638 8.120 1.00 0.00 O ATOM 831 CB ALA A 56 12.492 8.860 9.402 1.00 0.00 C ATOM 0 H ALA A 56 12.283 6.648 8.322 1.00 0.00 H new ATOM 0 HA ALA A 56 10.503 8.146 9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.329 9.804 9.923 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.931 8.137 10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.170 9.021 8.564 1.00 0.00 H new ATOM 837 N ARG A 57 11.267 9.916 7.056 1.00 0.00 N ATOM 838 CA ARG A 57 10.748 10.916 6.130 1.00 0.00 C ATOM 839 C ARG A 57 10.906 10.452 4.685 1.00 0.00 C ATOM 840 O ARG A 57 11.518 9.418 4.416 1.00 0.00 O ATOM 841 CB ARG A 57 11.470 12.250 6.330 1.00 0.00 C ATOM 842 CG ARG A 57 12.970 12.171 6.099 1.00 0.00 C ATOM 843 CD ARG A 57 13.715 11.841 7.383 1.00 0.00 C ATOM 844 NE ARG A 57 14.101 13.044 8.117 1.00 0.00 N ATOM 845 CZ ARG A 57 15.123 13.819 7.771 1.00 0.00 C ATOM 846 NH1 ARG A 57 15.857 13.520 6.709 1.00 0.00 N ATOM 847 NH2 ARG A 57 15.411 14.897 8.489 1.00 0.00 N ATOM 0 H ARG A 57 12.254 9.694 6.928 1.00 0.00 H new ATOM 0 HA ARG A 57 9.686 11.050 6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.045 12.989 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 57 11.285 12.605 7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.184 11.411 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.329 13.121 5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.086 11.216 8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.606 11.260 7.146 1.00 0.00 H new ATOM 0 HE ARG A 57 13.556 13.303 8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.638 12.693 6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 57 16.641 14.117 6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.848 15.131 9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.196 15.492 8.223 1.00 0.00 H new ATOM 861 N LYS A 58 10.349 11.223 3.757 1.00 0.00 N ATOM 862 CA LYS A 58 10.427 10.893 2.339 1.00 0.00 C ATOM 863 C LYS A 58 11.878 10.851 1.870 1.00 0.00 C ATOM 864 O LYS A 58 12.361 9.817 1.409 1.00 0.00 O ATOM 865 CB LYS A 58 9.642 11.914 1.513 1.00 0.00 C ATOM 866 CG LYS A 58 9.701 11.660 0.016 1.00 0.00 C ATOM 867 CD LYS A 58 8.583 10.737 -0.437 1.00 0.00 C ATOM 868 CE LYS A 58 8.331 10.860 -1.932 1.00 0.00 C ATOM 869 NZ LYS A 58 9.563 10.598 -2.726 1.00 0.00 N ATOM 0 H LYS A 58 9.838 12.082 3.962 1.00 0.00 H new ATOM 0 HA LYS A 58 9.988 9.905 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.600 11.905 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.030 12.911 1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.630 12.608 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.664 11.220 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.840 9.706 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.670 10.975 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.552 10.157 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.960 11.860 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.313 10.490 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.222 11.395 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.016 9.725 -2.387 1.00 0.00 H new ATOM 883 N SER A 59 12.568 11.981 1.991 1.00 0.00 N ATOM 884 CA SER A 59 13.963 12.073 1.577 1.00 0.00 C ATOM 885 C SER A 59 14.716 10.790 1.917 1.00 0.00 C ATOM 886 O SER A 59 15.554 10.326 1.144 1.00 0.00 O ATOM 887 CB SER A 59 14.639 13.269 2.250 1.00 0.00 C ATOM 888 OG SER A 59 15.844 13.613 1.588 1.00 0.00 O ATOM 0 H SER A 59 12.183 12.845 2.372 1.00 0.00 H new ATOM 0 HA SER A 59 13.987 12.212 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.962 14.123 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.848 13.033 3.293 1.00 0.00 H new ATOM 0 HG SER A 59 16.256 14.381 2.036 1.00 0.00 H new ATOM 894 N ASP A 60 14.412 10.223 3.079 1.00 0.00 N ATOM 895 CA ASP A 60 15.058 8.994 3.523 1.00 0.00 C ATOM 896 C ASP A 60 14.641 7.815 2.650 1.00 0.00 C ATOM 897 O ASP A 60 15.474 7.001 2.247 1.00 0.00 O ATOM 898 CB ASP A 60 14.712 8.710 4.986 1.00 0.00 C ATOM 899 CG ASP A 60 15.753 7.845 5.669 1.00 0.00 C ATOM 900 OD1 ASP A 60 16.135 6.807 5.090 1.00 0.00 O ATOM 901 OD2 ASP A 60 16.184 8.206 6.785 1.00 0.00 O ATOM 0 H ASP A 60 13.722 10.595 3.731 1.00 0.00 H new ATOM 0 HA ASP A 60 16.136 9.126 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.618 9.653 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.742 8.215 5.038 1.00 0.00 H new ATOM 906 N LEU A 61 13.347 7.727 2.362 1.00 0.00 N ATOM 907 CA LEU A 61 12.819 6.647 1.537 1.00 0.00 C ATOM 908 C LEU A 61 13.807 6.266 0.439 1.00 0.00 C ATOM 909 O LEU A 61 14.130 5.092 0.260 1.00 0.00 O ATOM 910 CB LEU A 61 11.483 7.059 0.915 1.00 0.00 C ATOM 911 CG LEU A 61 10.865 6.066 -0.069 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.450 4.791 0.649 1.00 0.00 C ATOM 913 CD2 LEU A 61 9.675 6.691 -0.781 1.00 0.00 C ATOM 0 H LEU A 61 12.644 8.391 2.688 1.00 0.00 H new ATOM 0 HA LEU A 61 12.663 5.779 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.769 7.234 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.623 8.010 0.401 1.00 0.00 H new ATOM 0 HG LEU A 61 11.616 5.810 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.012 4.096 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.324 4.333 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.716 5.029 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.248 5.970 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.921 6.977 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.002 7.575 -1.329 1.00 0.00 H new ATOM 925 N GLY A 62 14.286 7.268 -0.293 1.00 0.00 N ATOM 926 CA GLY A 62 15.234 7.017 -1.362 1.00 0.00 C ATOM 927 C GLY A 62 16.401 6.160 -0.914 1.00 0.00 C ATOM 928 O GLY A 62 16.636 5.083 -1.462 1.00 0.00 O ATOM 0 H GLY A 62 14.034 8.248 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.722 6.525 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.610 7.968 -1.741 1.00 0.00 H new ATOM 932 N VAL A 63 17.135 6.639 0.085 1.00 0.00 N ATOM 933 CA VAL A 63 18.285 5.909 0.607 1.00 0.00 C ATOM 934 C VAL A 63 17.963 4.429 0.782 1.00 0.00 C ATOM 935 O VAL A 63 18.778 3.563 0.464 1.00 0.00 O ATOM 936 CB VAL A 63 18.749 6.485 1.958 1.00 0.00 C ATOM 937 CG1 VAL A 63 19.908 5.672 2.515 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.138 7.948 1.807 1.00 0.00 C ATOM 0 H VAL A 63 16.954 7.529 0.549 1.00 0.00 H new ATOM 0 HA VAL A 63 19.088 6.020 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 63 17.921 6.423 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 63 20.223 6.094 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.591 4.639 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 63 20.742 5.700 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.463 8.339 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 63 19.951 8.036 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.278 8.519 1.455 1.00 0.00 H new ATOM 948 N HIS A 64 16.768 4.145 1.291 1.00 0.00 N ATOM 949 CA HIS A 64 16.337 2.769 1.507 1.00 0.00 C ATOM 950 C HIS A 64 16.097 2.059 0.178 1.00 0.00 C ATOM 951 O HIS A 64 16.309 0.851 0.061 1.00 0.00 O ATOM 952 CB HIS A 64 15.063 2.738 2.352 1.00 0.00 C ATOM 953 CG HIS A 64 14.357 1.417 2.325 1.00 0.00 C ATOM 954 ND1 HIS A 64 14.702 0.363 3.145 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.321 0.982 1.571 1.00 0.00 C ATOM 956 CE1 HIS A 64 13.908 -0.663 2.896 1.00 0.00 C ATOM 957 NE2 HIS A 64 13.061 -0.313 1.945 1.00 0.00 N ATOM 0 H HIS A 64 16.082 4.849 1.561 1.00 0.00 H new ATOM 0 HA HIS A 64 17.131 2.246 2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.315 2.985 3.383 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.382 3.512 1.996 1.00 0.00 H new ATOM 0 HD1 HIS A 64 15.453 0.374 3.836 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.796 1.548 0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.945 -1.624 3.387 1.00 0.00 H new ATOM 965 N LEU A 65 15.654 2.815 -0.819 1.00 0.00 N ATOM 966 CA LEU A 65 15.385 2.258 -2.141 1.00 0.00 C ATOM 967 C LEU A 65 16.683 1.895 -2.853 1.00 0.00 C ATOM 968 O LEU A 65 16.745 0.907 -3.586 1.00 0.00 O ATOM 969 CB LEU A 65 14.589 3.256 -2.984 1.00 0.00 C ATOM 970 CG LEU A 65 13.074 3.248 -2.782 1.00 0.00 C ATOM 971 CD1 LEU A 65 12.443 4.474 -3.423 1.00 0.00 C ATOM 972 CD2 LEU A 65 12.467 1.974 -3.351 1.00 0.00 C ATOM 0 H LEU A 65 15.473 3.816 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 65 14.797 1.350 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.959 4.259 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.796 3.059 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 65 12.869 3.278 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.364 4.451 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.855 5.375 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.657 4.476 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.388 1.985 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.682 1.914 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.896 1.109 -2.845 1.00 0.00 H new ATOM 984 N ARG A 66 17.719 2.697 -2.631 1.00 0.00 N ATOM 985 CA ARG A 66 19.017 2.459 -3.251 1.00 0.00 C ATOM 986 C ARG A 66 19.832 1.457 -2.439 1.00 0.00 C ATOM 987 O ARG A 66 20.602 0.672 -2.993 1.00 0.00 O ATOM 988 CB ARG A 66 19.790 3.772 -3.386 1.00 0.00 C ATOM 989 CG ARG A 66 19.110 4.791 -4.286 1.00 0.00 C ATOM 990 CD ARG A 66 20.052 5.927 -4.652 1.00 0.00 C ATOM 991 NE ARG A 66 19.334 7.083 -5.184 1.00 0.00 N ATOM 992 CZ ARG A 66 18.741 7.994 -4.420 1.00 0.00 C ATOM 993 NH1 ARG A 66 18.781 7.885 -3.100 1.00 0.00 N ATOM 994 NH2 ARG A 66 18.108 9.018 -4.978 1.00 0.00 N ATOM 0 H ARG A 66 17.685 3.518 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 66 18.846 2.042 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.925 4.207 -2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.784 3.559 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.760 4.300 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.231 5.194 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.619 6.226 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.773 5.577 -5.391 1.00 0.00 H new ATOM 0 HE ARG A 66 19.285 7.197 -6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 66 19.268 7.100 -2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.325 8.586 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.077 9.106 -5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.653 9.717 -4.391 1.00 0.00 H new ATOM 1008 N LYS A 67 19.658 1.490 -1.122 1.00 0.00 N ATOM 1009 CA LYS A 67 20.375 0.585 -0.232 1.00 0.00 C ATOM 1010 C LYS A 67 19.818 -0.831 -0.331 1.00 0.00 C ATOM 1011 O LYS A 67 20.516 -1.754 -0.752 1.00 0.00 O ATOM 1012 CB LYS A 67 20.285 1.080 1.213 1.00 0.00 C ATOM 1013 CG LYS A 67 21.353 2.097 1.576 1.00 0.00 C ATOM 1014 CD LYS A 67 21.723 2.017 3.047 1.00 0.00 C ATOM 1015 CE LYS A 67 20.620 2.579 3.931 1.00 0.00 C ATOM 1016 NZ LYS A 67 20.634 1.972 5.290 1.00 0.00 N ATOM 0 H LYS A 67 19.026 2.135 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 67 21.421 0.567 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.303 1.524 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.365 0.226 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.241 1.927 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.995 3.100 1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.915 0.979 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.647 2.569 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.737 3.659 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.652 2.399 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.867 2.382 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 20.497 0.944 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 21.548 2.166 5.747 1.00 0.00 H new ATOM 1030 N GLN A 68 18.557 -0.995 0.057 1.00 0.00 N ATOM 1031 CA GLN A 68 17.907 -2.299 0.010 1.00 0.00 C ATOM 1032 C GLN A 68 17.665 -2.735 -1.431 1.00 0.00 C ATOM 1033 O GLN A 68 17.969 -3.868 -1.808 1.00 0.00 O ATOM 1034 CB GLN A 68 16.582 -2.260 0.773 1.00 0.00 C ATOM 1035 CG GLN A 68 16.746 -2.359 2.281 1.00 0.00 C ATOM 1036 CD GLN A 68 17.491 -3.609 2.706 1.00 0.00 C ATOM 1037 OE1 GLN A 68 18.658 -3.547 3.097 1.00 0.00 O ATOM 1038 NE2 GLN A 68 16.821 -4.752 2.633 1.00 0.00 N ATOM 0 H GLN A 68 17.966 -0.241 0.407 1.00 0.00 H new ATOM 0 HA GLN A 68 18.569 -3.024 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.061 -1.333 0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.950 -3.079 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.281 -1.481 2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.763 -2.349 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.856 -4.757 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.271 -5.625 2.907 1.00 0.00 H new ATOM 1047 N HIS A 69 17.116 -1.829 -2.234 1.00 0.00 N ATOM 1048 CA HIS A 69 16.833 -2.121 -3.635 1.00 0.00 C ATOM 1049 C HIS A 69 17.762 -1.332 -4.553 1.00 0.00 C ATOM 1050 O HIS A 69 18.633 -0.597 -4.087 1.00 0.00 O ATOM 1051 CB HIS A 69 15.375 -1.793 -3.962 1.00 0.00 C ATOM 1052 CG HIS A 69 14.401 -2.329 -2.958 1.00 0.00 C ATOM 1053 ND1 HIS A 69 13.780 -3.553 -3.091 1.00 0.00 N ATOM 1054 CD2 HIS A 69 13.944 -1.801 -1.799 1.00 0.00 C ATOM 1055 CE1 HIS A 69 12.981 -3.754 -2.059 1.00 0.00 C ATOM 1056 NE2 HIS A 69 13.063 -2.705 -1.259 1.00 0.00 N ATOM 0 H HIS A 69 16.858 -0.887 -1.939 1.00 0.00 H new ATOM 0 HA HIS A 69 17.005 -3.185 -3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.260 -0.711 -4.026 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.132 -2.198 -4.944 1.00 0.00 H new ATOM 0 HD1 HIS A 69 13.917 -4.202 -3.866 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.221 -0.846 -1.377 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.366 -4.627 -1.896 1.00 0.00 H new ATOM 1064 N SER A 70 17.571 -1.490 -5.858 1.00 0.00 N ATOM 1065 CA SER A 70 18.395 -0.797 -6.841 1.00 0.00 C ATOM 1066 C SER A 70 17.568 0.222 -7.621 1.00 0.00 C ATOM 1067 O SER A 70 16.749 -0.142 -8.464 1.00 0.00 O ATOM 1068 CB SER A 70 19.030 -1.800 -7.806 1.00 0.00 C ATOM 1069 OG SER A 70 20.264 -2.281 -7.302 1.00 0.00 O ATOM 0 H SER A 70 16.852 -2.092 -6.260 1.00 0.00 H new ATOM 0 HA SER A 70 19.185 -0.268 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.349 -2.636 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.189 -1.327 -8.775 1.00 0.00 H new ATOM 0 HG SER A 70 20.649 -2.922 -7.936 1.00 0.00 H new ATOM 1075 N TYR A 71 17.790 1.499 -7.332 1.00 0.00 N ATOM 1076 CA TYR A 71 17.066 2.572 -8.004 1.00 0.00 C ATOM 1077 C TYR A 71 17.979 3.765 -8.267 1.00 0.00 C ATOM 1078 O TYR A 71 19.084 3.845 -7.731 1.00 0.00 O ATOM 1079 CB TYR A 71 15.866 3.010 -7.162 1.00 0.00 C ATOM 1080 CG TYR A 71 14.597 2.248 -7.473 1.00 0.00 C ATOM 1081 CD1 TYR A 71 13.980 2.365 -8.713 1.00 0.00 C ATOM 1082 CD2 TYR A 71 14.016 1.412 -6.528 1.00 0.00 C ATOM 1083 CE1 TYR A 71 12.821 1.671 -9.001 1.00 0.00 C ATOM 1084 CE2 TYR A 71 12.857 0.714 -6.808 1.00 0.00 C ATOM 1085 CZ TYR A 71 12.264 0.846 -8.046 1.00 0.00 C ATOM 1086 OH TYR A 71 11.109 0.153 -8.329 1.00 0.00 O ATOM 0 H TYR A 71 18.465 1.817 -6.637 1.00 0.00 H new ATOM 0 HA TYR A 71 16.711 2.192 -8.962 1.00 0.00 H new ATOM 0 HB2 TYR A 71 16.107 2.882 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 71 15.690 4.074 -7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 71 14.414 3.009 -9.464 1.00 0.00 H new ATOM 0 HD2 TYR A 71 14.478 1.306 -5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.353 1.774 -9.969 1.00 0.00 H new ATOM 0 HE2 TYR A 71 12.418 0.069 -6.062 1.00 0.00 H new ATOM 0 HH TYR A 71 10.978 -0.552 -7.660 1.00 0.00 H new ATOM 1096 N SER A 72 17.508 4.691 -9.095 1.00 0.00 N ATOM 1097 CA SER A 72 18.282 5.880 -9.433 1.00 0.00 C ATOM 1098 C SER A 72 17.418 6.900 -10.170 1.00 0.00 C ATOM 1099 O SER A 72 16.242 6.656 -10.437 1.00 0.00 O ATOM 1100 CB SER A 72 19.489 5.501 -10.294 1.00 0.00 C ATOM 1101 OG SER A 72 19.092 5.180 -11.616 1.00 0.00 O ATOM 0 H SER A 72 16.594 4.641 -9.545 1.00 0.00 H new ATOM 0 HA SER A 72 18.633 6.330 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.199 6.328 -10.315 1.00 0.00 H new ATOM 0 HB3 SER A 72 20.004 4.650 -9.849 1.00 0.00 H new ATOM 0 HG SER A 72 19.881 4.943 -12.146 1.00 0.00 H new ATOM 1107 N GLY A 73 18.012 8.044 -10.495 1.00 0.00 N ATOM 1108 CA GLY A 73 17.283 9.084 -11.197 1.00 0.00 C ATOM 1109 C GLY A 73 16.285 8.524 -12.191 1.00 0.00 C ATOM 1110 O GLY A 73 16.639 7.779 -13.105 1.00 0.00 O ATOM 0 H GLY A 73 18.984 8.269 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.759 9.708 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.989 9.728 -11.720 1.00 0.00 H new ATOM 1114 N PRO A 74 15.005 8.882 -12.015 1.00 0.00 N ATOM 1115 CA PRO A 74 13.926 8.419 -12.893 1.00 0.00 C ATOM 1116 C PRO A 74 14.009 9.034 -14.286 1.00 0.00 C ATOM 1117 O PRO A 74 13.812 10.237 -14.457 1.00 0.00 O ATOM 1118 CB PRO A 74 12.658 8.890 -12.175 1.00 0.00 C ATOM 1119 CG PRO A 74 13.096 10.057 -11.360 1.00 0.00 C ATOM 1120 CD PRO A 74 14.511 9.766 -10.946 1.00 0.00 C ATOM 0 HA PRO A 74 13.965 7.342 -13.055 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.882 9.173 -12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.243 8.102 -11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.041 10.979 -11.938 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.454 10.188 -10.489 1.00 0.00 H new ATOM 0 HD2 PRO A 74 15.104 10.678 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 74 14.552 9.280 -9.971 1.00 0.00 H new ATOM 1128 N SER A 75 14.301 8.200 -15.279 1.00 0.00 N ATOM 1129 CA SER A 75 14.413 8.663 -16.658 1.00 0.00 C ATOM 1130 C SER A 75 13.172 8.283 -17.461 1.00 0.00 C ATOM 1131 O SER A 75 12.427 7.380 -17.082 1.00 0.00 O ATOM 1132 CB SER A 75 15.661 8.072 -17.316 1.00 0.00 C ATOM 1133 OG SER A 75 15.956 8.733 -18.535 1.00 0.00 O ATOM 0 H SER A 75 14.464 7.201 -15.155 1.00 0.00 H new ATOM 0 HA SER A 75 14.497 9.750 -16.645 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.509 8.158 -16.637 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.509 7.009 -17.503 1.00 0.00 H new ATOM 0 HG SER A 75 16.759 8.338 -18.935 1.00 0.00 H new ATOM 1139 N SER A 76 12.958 8.981 -18.571 1.00 0.00 N ATOM 1140 CA SER A 76 11.806 8.721 -19.427 1.00 0.00 C ATOM 1141 C SER A 76 11.539 7.223 -19.537 1.00 0.00 C ATOM 1142 O SER A 76 10.406 6.770 -19.380 1.00 0.00 O ATOM 1143 CB SER A 76 12.034 9.314 -20.819 1.00 0.00 C ATOM 1144 OG SER A 76 13.255 8.857 -21.374 1.00 0.00 O ATOM 0 H SER A 76 13.567 9.731 -18.899 1.00 0.00 H new ATOM 0 HA SER A 76 10.934 9.196 -18.976 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.208 9.039 -21.475 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.044 10.402 -20.757 1.00 0.00 H new ATOM 0 HG SER A 76 13.377 9.249 -22.264 1.00 0.00 H new ATOM 1150 N GLY A 77 12.592 6.459 -19.810 1.00 0.00 N ATOM 1151 CA GLY A 77 12.451 5.020 -19.938 1.00 0.00 C ATOM 1152 C GLY A 77 12.193 4.343 -18.607 1.00 0.00 C ATOM 1153 O GLY A 77 12.861 4.672 -17.628 1.00 0.00 O ATOM 0 H GLY A 77 13.540 6.810 -19.945 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.631 4.798 -20.620 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.357 4.607 -20.383 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.713 8.771 -3.565 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 12.005 -1.992 0.688 1.00 0.00 ZN