USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 17 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.5) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -33:sc= 0.148 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.13) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.269 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -7.869 6.040 -21.212 1.00 0.00 N ATOM 2 CA ALA A 2 -7.388 7.379 -20.783 1.00 0.00 C ATOM 3 C ALA A 2 -5.864 7.437 -20.779 1.00 0.00 C ATOM 4 O ALA A 2 -5.215 6.898 -19.883 1.00 0.00 O ATOM 5 CB ALA A 2 -7.932 7.717 -19.403 1.00 0.00 C ATOM 0 HA ALA A 2 -7.754 8.116 -21.498 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.572 8.700 -19.101 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.022 7.723 -19.433 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.593 6.970 -18.685 1.00 0.00 H new ATOM 13 N SER A 3 -5.300 8.095 -21.786 1.00 0.00 N ATOM 14 CA SER A 3 -3.851 8.224 -21.899 1.00 0.00 C ATOM 15 C SER A 3 -3.294 9.104 -20.784 1.00 0.00 C ATOM 16 O SER A 3 -2.160 8.919 -20.342 1.00 0.00 O ATOM 17 CB SER A 3 -3.475 8.808 -23.262 1.00 0.00 C ATOM 18 OG SER A 3 -3.986 8.012 -24.317 1.00 0.00 O ATOM 0 H SER A 3 -5.823 8.547 -22.536 1.00 0.00 H new ATOM 0 HA SER A 3 -3.414 7.230 -21.804 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.865 9.823 -23.346 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.390 8.875 -23.346 1.00 0.00 H new ATOM 0 HG SER A 3 -3.733 8.408 -25.177 1.00 0.00 H new ATOM 24 N THR A 4 -4.099 10.061 -20.334 1.00 0.00 N ATOM 25 CA THR A 4 -3.686 10.970 -19.271 1.00 0.00 C ATOM 26 C THR A 4 -3.339 10.201 -18.000 1.00 0.00 C ATOM 27 O THR A 4 -2.480 10.619 -17.225 1.00 0.00 O ATOM 28 CB THR A 4 -4.794 11.984 -18.980 1.00 0.00 C ATOM 29 OG1 THR A 4 -6.007 11.324 -18.662 1.00 0.00 O ATOM 30 CG2 THR A 4 -5.069 12.918 -20.139 1.00 0.00 C ATOM 0 H THR A 4 -5.041 10.227 -20.689 1.00 0.00 H new ATOM 0 HA THR A 4 -2.795 11.501 -19.607 1.00 0.00 H new ATOM 0 HB THR A 4 -4.433 12.573 -18.137 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.703 11.989 -18.477 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.865 13.611 -19.867 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.165 13.479 -20.377 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.375 12.338 -21.009 1.00 0.00 H new ATOM 38 N SER A 5 -4.014 9.074 -17.793 1.00 0.00 N ATOM 39 CA SER A 5 -3.776 8.246 -16.617 1.00 0.00 C ATOM 40 C SER A 5 -2.723 7.181 -16.905 1.00 0.00 C ATOM 41 O SER A 5 -2.952 6.266 -17.696 1.00 0.00 O ATOM 42 CB SER A 5 -5.078 7.584 -16.162 1.00 0.00 C ATOM 43 OG SER A 5 -5.039 7.277 -14.779 1.00 0.00 O ATOM 0 H SER A 5 -4.730 8.714 -18.425 1.00 0.00 H new ATOM 0 HA SER A 5 -3.406 8.890 -15.819 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.918 8.248 -16.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.246 6.672 -16.735 1.00 0.00 H new ATOM 0 HG SER A 5 -5.883 6.856 -14.513 1.00 0.00 H new ATOM 49 N ARG A 6 -1.570 7.305 -16.257 1.00 0.00 N ATOM 50 CA ARG A 6 -0.482 6.352 -16.443 1.00 0.00 C ATOM 51 C ARG A 6 -0.812 5.015 -15.786 1.00 0.00 C ATOM 52 O ARG A 6 -0.885 3.984 -16.455 1.00 0.00 O ATOM 53 CB ARG A 6 0.821 6.914 -15.866 1.00 0.00 C ATOM 54 CG ARG A 6 1.799 7.391 -16.927 1.00 0.00 C ATOM 55 CD ARG A 6 3.197 7.570 -16.356 1.00 0.00 C ATOM 56 NE ARG A 6 4.232 7.332 -17.359 1.00 0.00 N ATOM 57 CZ ARG A 6 4.589 8.223 -18.282 1.00 0.00 C ATOM 58 NH1 ARG A 6 3.996 9.409 -18.334 1.00 0.00 N ATOM 59 NH2 ARG A 6 5.542 7.927 -19.155 1.00 0.00 N ATOM 0 H ARG A 6 -1.365 8.056 -15.598 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.354 6.187 -17.513 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.586 7.745 -15.201 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.301 6.146 -15.260 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.829 6.672 -17.746 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.452 8.336 -17.345 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.301 8.581 -15.961 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.338 6.885 -15.520 1.00 0.00 H new ATOM 0 HE ARG A 6 4.709 6.431 -17.352 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.262 9.642 -17.665 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.274 10.087 -19.043 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.001 7.017 -19.119 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.816 8.609 -19.862 1.00 0.00 H new ATOM 73 N LEU A 7 -1.011 5.040 -14.472 1.00 0.00 N ATOM 74 CA LEU A 7 -1.333 3.830 -13.724 1.00 0.00 C ATOM 75 C LEU A 7 -2.188 4.157 -12.503 1.00 0.00 C ATOM 76 O LEU A 7 -1.811 4.983 -11.672 1.00 0.00 O ATOM 77 CB LEU A 7 -0.050 3.116 -13.291 1.00 0.00 C ATOM 78 CG LEU A 7 -0.002 1.621 -13.609 1.00 0.00 C ATOM 79 CD1 LEU A 7 1.358 1.042 -13.252 1.00 0.00 C ATOM 80 CD2 LEU A 7 -1.108 0.884 -12.869 1.00 0.00 C ATOM 0 H LEU A 7 -0.955 5.885 -13.903 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.904 3.169 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.798 3.602 -13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.076 3.248 -12.216 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.159 1.491 -14.680 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.373 -0.023 -13.485 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.132 1.550 -13.827 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.545 1.183 -12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.059 -0.179 -13.107 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.982 1.022 -11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.077 1.280 -13.174 1.00 0.00 H new ATOM 92 N ASP A 8 -3.341 3.504 -12.401 1.00 0.00 N ATOM 93 CA ASP A 8 -4.249 3.725 -11.282 1.00 0.00 C ATOM 94 C ASP A 8 -4.306 2.501 -10.373 1.00 0.00 C ATOM 95 O ASP A 8 -4.529 2.621 -9.168 1.00 0.00 O ATOM 96 CB ASP A 8 -5.652 4.059 -11.794 1.00 0.00 C ATOM 97 CG ASP A 8 -6.160 3.038 -12.794 1.00 0.00 C ATOM 98 OD1 ASP A 8 -6.465 1.900 -12.378 1.00 0.00 O ATOM 99 OD2 ASP A 8 -6.255 3.377 -13.992 1.00 0.00 O ATOM 0 H ASP A 8 -3.669 2.817 -13.080 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.870 4.567 -10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.341 4.112 -10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.641 5.045 -12.259 1.00 0.00 H new ATOM 104 N ALA A 9 -4.105 1.324 -10.957 1.00 0.00 N ATOM 105 CA ALA A 9 -4.134 0.079 -10.199 1.00 0.00 C ATOM 106 C ALA A 9 -3.010 0.035 -9.170 1.00 0.00 C ATOM 107 O ALA A 9 -1.968 -0.580 -9.399 1.00 0.00 O ATOM 108 CB ALA A 9 -4.038 -1.113 -11.139 1.00 0.00 C ATOM 0 H ALA A 9 -3.920 1.207 -11.953 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.082 0.031 -9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.061 -2.036 -10.560 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.879 -1.099 -11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.105 -1.060 -11.700 1.00 0.00 H new ATOM 114 N LEU A 10 -3.227 0.692 -8.035 1.00 0.00 N ATOM 115 CA LEU A 10 -2.232 0.729 -6.970 1.00 0.00 C ATOM 116 C LEU A 10 -2.223 -0.581 -6.182 1.00 0.00 C ATOM 117 O LEU A 10 -1.211 -1.280 -6.136 1.00 0.00 O ATOM 118 CB LEU A 10 -2.505 1.906 -6.030 1.00 0.00 C ATOM 119 CG LEU A 10 -1.694 3.171 -6.324 1.00 0.00 C ATOM 120 CD1 LEU A 10 -2.577 4.406 -6.235 1.00 0.00 C ATOM 121 CD2 LEU A 10 -0.518 3.285 -5.366 1.00 0.00 C ATOM 0 H LEU A 10 -4.084 1.206 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.251 0.859 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.566 2.153 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.299 1.590 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.305 3.101 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.982 5.295 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.385 4.328 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.997 4.481 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.047 4.190 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.887 3.331 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.129 2.416 -5.480 1.00 0.00 H new ATOM 133 N PRO A 11 -3.355 -0.930 -5.546 1.00 0.00 N ATOM 134 CA PRO A 11 -3.470 -2.159 -4.757 1.00 0.00 C ATOM 135 C PRO A 11 -3.554 -3.406 -5.631 1.00 0.00 C ATOM 136 O PRO A 11 -4.343 -3.464 -6.573 1.00 0.00 O ATOM 137 CB PRO A 11 -4.774 -1.958 -3.984 1.00 0.00 C ATOM 138 CG PRO A 11 -5.588 -1.058 -4.847 1.00 0.00 C ATOM 139 CD PRO A 11 -4.610 -0.152 -5.546 1.00 0.00 C ATOM 0 HA PRO A 11 -2.600 -2.319 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.282 -2.907 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.591 -1.511 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.171 -1.632 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.296 -0.482 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.936 0.084 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.494 0.795 -5.020 1.00 0.00 H new ATOM 147 N ARG A 12 -2.736 -4.404 -5.309 1.00 0.00 N ATOM 148 CA ARG A 12 -2.718 -5.652 -6.063 1.00 0.00 C ATOM 149 C ARG A 12 -3.652 -6.679 -5.431 1.00 0.00 C ATOM 150 O ARG A 12 -3.467 -7.077 -4.281 1.00 0.00 O ATOM 151 CB ARG A 12 -1.296 -6.212 -6.130 1.00 0.00 C ATOM 152 CG ARG A 12 -0.328 -5.321 -6.892 1.00 0.00 C ATOM 153 CD ARG A 12 0.909 -6.088 -7.333 1.00 0.00 C ATOM 154 NE ARG A 12 0.929 -6.310 -8.777 1.00 0.00 N ATOM 155 CZ ARG A 12 2.025 -6.629 -9.463 1.00 0.00 C ATOM 156 NH1 ARG A 12 3.189 -6.765 -8.840 1.00 0.00 N ATOM 157 NH2 ARG A 12 1.956 -6.814 -10.774 1.00 0.00 N ATOM 0 H ARG A 12 -2.077 -4.372 -4.531 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.065 -5.443 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.923 -6.357 -5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.323 -7.194 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.828 -4.903 -7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.032 -4.482 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.802 -5.536 -7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.943 -7.048 -6.818 1.00 0.00 H new ATOM 0 HE ARG A 12 0.052 -6.215 -9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.247 -6.625 -7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.026 -7.009 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.064 -6.712 -11.257 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.795 -7.058 -11.299 1.00 0.00 H new ATOM 171 N VAL A 13 -4.659 -7.100 -6.190 1.00 0.00 N ATOM 172 CA VAL A 13 -5.624 -8.074 -5.708 1.00 0.00 C ATOM 173 C VAL A 13 -5.016 -9.471 -5.632 1.00 0.00 C ATOM 174 O VAL A 13 -4.888 -10.159 -6.644 1.00 0.00 O ATOM 175 CB VAL A 13 -6.866 -8.116 -6.615 1.00 0.00 C ATOM 176 CG1 VAL A 13 -7.743 -6.895 -6.382 1.00 0.00 C ATOM 177 CG2 VAL A 13 -6.460 -8.220 -8.078 1.00 0.00 C ATOM 0 H VAL A 13 -4.826 -6.779 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.917 -7.760 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.446 -9.003 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.616 -6.944 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.067 -6.873 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.175 -5.991 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.353 -8.248 -8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.854 -7.355 -8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.881 -9.131 -8.231 1.00 0.00 H new ATOM 187 N THR A 14 -4.651 -9.887 -4.423 1.00 0.00 N ATOM 188 CA THR A 14 -4.064 -11.207 -4.212 1.00 0.00 C ATOM 189 C THR A 14 -2.750 -11.355 -4.973 1.00 0.00 C ATOM 190 O THR A 14 -2.326 -10.447 -5.688 1.00 0.00 O ATOM 191 CB THR A 14 -5.046 -12.295 -4.650 1.00 0.00 C ATOM 192 OG1 THR A 14 -6.382 -11.835 -4.549 1.00 0.00 O ATOM 193 CG2 THR A 14 -4.937 -13.567 -3.838 1.00 0.00 C ATOM 0 H THR A 14 -4.751 -9.330 -3.575 1.00 0.00 H new ATOM 0 HA THR A 14 -3.855 -11.317 -3.148 1.00 0.00 H new ATOM 0 HB THR A 14 -4.781 -12.521 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.995 -12.544 -4.835 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.662 -14.295 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.931 -13.976 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.139 -13.348 -2.790 1.00 0.00 H new ATOM 201 N CYS A 15 -2.113 -12.510 -4.811 1.00 0.00 N ATOM 202 CA CYS A 15 -0.847 -12.794 -5.476 1.00 0.00 C ATOM 203 C CYS A 15 -1.087 -13.311 -6.896 1.00 0.00 C ATOM 204 O CYS A 15 -1.913 -14.198 -7.108 1.00 0.00 O ATOM 205 CB CYS A 15 -0.058 -13.824 -4.662 1.00 0.00 C ATOM 206 SG CYS A 15 1.427 -14.463 -5.477 1.00 0.00 S ATOM 0 H CYS A 15 -2.456 -13.268 -4.221 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.270 -11.872 -5.543 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.232 -13.371 -3.714 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.715 -14.661 -4.428 1.00 0.00 H new ATOM 211 N PRO A 16 -0.368 -12.761 -7.892 1.00 0.00 N ATOM 212 CA PRO A 16 -0.516 -13.175 -9.293 1.00 0.00 C ATOM 213 C PRO A 16 -0.300 -14.671 -9.486 1.00 0.00 C ATOM 214 O PRO A 16 -0.973 -15.306 -10.298 1.00 0.00 O ATOM 215 CB PRO A 16 0.574 -12.383 -10.022 1.00 0.00 C ATOM 216 CG PRO A 16 0.851 -11.213 -9.144 1.00 0.00 C ATOM 217 CD PRO A 16 0.639 -11.694 -7.737 1.00 0.00 C ATOM 0 HA PRO A 16 -1.523 -12.982 -9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.469 -12.987 -10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.238 -12.065 -11.009 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.870 -10.852 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.184 -10.383 -9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.562 -12.073 -7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.282 -10.895 -7.088 1.00 0.00 H new ATOM 225 N ASN A 17 0.646 -15.226 -8.739 1.00 0.00 N ATOM 226 CA ASN A 17 0.958 -16.649 -8.833 1.00 0.00 C ATOM 227 C ASN A 17 0.350 -17.438 -7.673 1.00 0.00 C ATOM 228 O ASN A 17 0.677 -18.607 -7.473 1.00 0.00 O ATOM 229 CB ASN A 17 2.473 -16.856 -8.863 1.00 0.00 C ATOM 230 CG ASN A 17 3.075 -16.529 -10.215 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.359 -16.220 -11.168 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.398 -16.595 -10.306 1.00 0.00 N ATOM 0 H ASN A 17 1.211 -14.714 -8.061 1.00 0.00 H new ATOM 0 HA ASN A 17 0.521 -17.022 -9.759 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.937 -16.230 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.701 -17.891 -8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.859 -16.385 -11.191 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.953 -16.855 -9.491 1.00 0.00 H new ATOM 239 N HIS A 18 -0.535 -16.800 -6.911 1.00 0.00 N ATOM 240 CA HIS A 18 -1.179 -17.459 -5.780 1.00 0.00 C ATOM 241 C HIS A 18 -2.545 -16.840 -5.492 1.00 0.00 C ATOM 242 O HIS A 18 -2.657 -15.906 -4.698 1.00 0.00 O ATOM 243 CB HIS A 18 -0.292 -17.372 -4.536 1.00 0.00 C ATOM 244 CG HIS A 18 0.949 -18.200 -4.628 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.195 -17.661 -4.396 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.079 -19.517 -4.919 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.046 -18.664 -4.548 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.416 -19.803 -4.867 1.00 0.00 N ATOM 0 H HIS A 18 -0.821 -15.832 -7.056 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.324 -18.508 -6.040 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.013 -16.331 -4.371 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.867 -17.690 -3.667 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.281 -20.208 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.116 -18.575 -4.430 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.850 -20.710 -5.038 1.00 0.00 H new ATOM 256 N PRO A 19 -3.607 -17.358 -6.134 1.00 0.00 N ATOM 257 CA PRO A 19 -4.969 -16.852 -5.941 1.00 0.00 C ATOM 258 C PRO A 19 -5.518 -17.188 -4.558 1.00 0.00 C ATOM 259 O PRO A 19 -6.088 -16.333 -3.881 1.00 0.00 O ATOM 260 CB PRO A 19 -5.774 -17.571 -7.025 1.00 0.00 C ATOM 261 CG PRO A 19 -5.012 -18.821 -7.297 1.00 0.00 C ATOM 262 CD PRO A 19 -3.562 -18.475 -7.097 1.00 0.00 C ATOM 0 HA PRO A 19 -5.014 -15.765 -6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.786 -17.791 -6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.864 -16.959 -7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.319 -19.620 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.192 -19.175 -8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.997 -19.321 -6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.086 -18.180 -8.032 1.00 0.00 H new ATOM 270 N ASP A 20 -5.342 -18.439 -4.145 1.00 0.00 N ATOM 271 CA ASP A 20 -5.818 -18.888 -2.842 1.00 0.00 C ATOM 272 C ASP A 20 -5.092 -18.156 -1.719 1.00 0.00 C ATOM 273 O ASP A 20 -5.690 -17.811 -0.700 1.00 0.00 O ATOM 274 CB ASP A 20 -5.620 -20.398 -2.694 1.00 0.00 C ATOM 275 CG ASP A 20 -6.591 -21.195 -3.544 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.645 -20.640 -3.920 1.00 0.00 O ATOM 277 OD2 ASP A 20 -6.298 -22.374 -3.832 1.00 0.00 O ATOM 0 H ASP A 20 -4.873 -19.160 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.882 -18.661 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.599 -20.657 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.744 -20.677 -1.648 1.00 0.00 H new ATOM 282 N ALA A 21 -3.798 -17.923 -1.913 1.00 0.00 N ATOM 283 CA ALA A 21 -2.988 -17.231 -0.918 1.00 0.00 C ATOM 284 C ALA A 21 -2.931 -15.735 -1.206 1.00 0.00 C ATOM 285 O ALA A 21 -2.521 -15.317 -2.288 1.00 0.00 O ATOM 286 CB ALA A 21 -1.585 -17.818 -0.878 1.00 0.00 C ATOM 0 H ALA A 21 -3.288 -18.204 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.454 -17.370 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.991 -17.291 -0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.640 -18.875 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.117 -17.708 -1.856 1.00 0.00 H new ATOM 292 N ILE A 22 -3.347 -14.934 -0.232 1.00 0.00 N ATOM 293 CA ILE A 22 -3.344 -13.485 -0.384 1.00 0.00 C ATOM 294 C ILE A 22 -2.198 -12.849 0.393 1.00 0.00 C ATOM 295 O ILE A 22 -1.952 -13.193 1.549 1.00 0.00 O ATOM 296 CB ILE A 22 -4.674 -12.868 0.091 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.861 -13.613 -0.528 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.727 -11.388 -0.260 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.901 -14.037 0.485 1.00 0.00 C ATOM 0 H ILE A 22 -3.690 -15.263 0.670 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.214 -13.281 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.735 -12.967 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.332 -12.974 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.493 -14.496 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.672 -10.967 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.901 -10.869 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.646 -11.267 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.712 -14.559 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.445 -14.702 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.297 -13.156 0.991 1.00 0.00 H new ATOM 311 N LEU A 23 -1.502 -11.917 -0.250 1.00 0.00 N ATOM 312 CA LEU A 23 -0.383 -11.227 0.384 1.00 0.00 C ATOM 313 C LEU A 23 -0.845 -10.502 1.645 1.00 0.00 C ATOM 314 O LEU A 23 -1.609 -9.539 1.572 1.00 0.00 O ATOM 315 CB LEU A 23 0.245 -10.229 -0.592 1.00 0.00 C ATOM 316 CG LEU A 23 1.473 -10.746 -1.346 1.00 0.00 C ATOM 317 CD1 LEU A 23 1.080 -11.238 -2.731 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.538 -9.662 -1.443 1.00 0.00 C ATOM 0 H LEU A 23 -1.692 -11.622 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 23 0.365 -11.969 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.510 -9.931 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.527 -9.333 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 23 1.890 -11.585 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.965 -11.602 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.356 -12.047 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.637 -10.418 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.403 -10.049 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.134 -8.801 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.841 -9.359 -0.441 1.00 0.00 H new ATOM 330 N VAL A 24 -0.380 -10.967 2.800 1.00 0.00 N ATOM 331 CA VAL A 24 -0.751 -10.358 4.071 1.00 0.00 C ATOM 332 C VAL A 24 -0.005 -9.047 4.279 1.00 0.00 C ATOM 333 O VAL A 24 1.047 -8.824 3.684 1.00 0.00 O ATOM 334 CB VAL A 24 -0.456 -11.294 5.259 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.147 -10.792 6.517 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.884 -12.719 4.940 1.00 0.00 C ATOM 0 H VAL A 24 0.253 -11.762 2.881 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.824 -10.170 4.030 1.00 0.00 H new ATOM 0 HB VAL A 24 0.619 -11.295 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.928 -11.465 7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.785 -9.792 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.224 -10.759 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.667 -13.363 5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.954 -12.740 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.338 -13.076 4.067 1.00 0.00 H new ATOM 346 N GLU A 25 -0.554 -8.182 5.125 1.00 0.00 N ATOM 347 CA GLU A 25 0.066 -6.892 5.406 1.00 0.00 C ATOM 348 C GLU A 25 0.330 -6.725 6.898 1.00 0.00 C ATOM 349 O GLU A 25 -0.444 -7.194 7.733 1.00 0.00 O ATOM 350 CB GLU A 25 -0.824 -5.754 4.904 1.00 0.00 C ATOM 351 CG GLU A 25 -0.114 -4.411 4.838 1.00 0.00 C ATOM 352 CD GLU A 25 -1.025 -3.292 4.372 1.00 0.00 C ATOM 353 OE1 GLU A 25 -2.064 -3.593 3.747 1.00 0.00 O ATOM 354 OE2 GLU A 25 -0.699 -2.115 4.632 1.00 0.00 O ATOM 0 H GLU A 25 -1.426 -8.350 5.627 1.00 0.00 H new ATOM 0 HA GLU A 25 1.021 -6.857 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.198 -6.007 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.691 -5.666 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.283 -4.165 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.737 -4.487 4.161 1.00 0.00 H new ATOM 361 N ASP A 26 1.428 -6.052 7.227 1.00 0.00 N ATOM 362 CA ASP A 26 1.796 -5.821 8.619 1.00 0.00 C ATOM 363 C ASP A 26 1.020 -4.640 9.197 1.00 0.00 C ATOM 364 O ASP A 26 0.019 -4.206 8.628 1.00 0.00 O ATOM 365 CB ASP A 26 3.303 -5.571 8.732 1.00 0.00 C ATOM 366 CG ASP A 26 3.981 -6.544 9.676 1.00 0.00 C ATOM 367 OD1 ASP A 26 4.280 -7.678 9.245 1.00 0.00 O ATOM 368 OD2 ASP A 26 4.214 -6.173 10.845 1.00 0.00 O ATOM 0 H ASP A 26 2.079 -5.657 6.548 1.00 0.00 H new ATOM 0 HA ASP A 26 1.541 -6.711 9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.757 -5.651 7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.474 -4.552 9.080 1.00 0.00 H new ATOM 373 N TYR A 27 1.486 -4.126 10.331 1.00 0.00 N ATOM 374 CA TYR A 27 0.833 -2.998 10.985 1.00 0.00 C ATOM 375 C TYR A 27 1.459 -1.676 10.552 1.00 0.00 C ATOM 376 O TYR A 27 0.790 -0.643 10.525 1.00 0.00 O ATOM 377 CB TYR A 27 0.920 -3.141 12.506 1.00 0.00 C ATOM 378 CG TYR A 27 0.647 -4.544 13.001 1.00 0.00 C ATOM 379 CD1 TYR A 27 1.637 -5.518 12.965 1.00 0.00 C ATOM 380 CD2 TYR A 27 -0.600 -4.894 13.502 1.00 0.00 C ATOM 381 CE1 TYR A 27 1.392 -6.801 13.415 1.00 0.00 C ATOM 382 CE2 TYR A 27 -0.853 -6.175 13.954 1.00 0.00 C ATOM 383 CZ TYR A 27 0.145 -7.124 13.909 1.00 0.00 C ATOM 384 OH TYR A 27 -0.103 -8.401 14.358 1.00 0.00 O ATOM 0 H TYR A 27 2.314 -4.473 10.816 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.215 -2.998 10.685 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.914 -2.836 12.835 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.208 -2.457 12.968 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.614 -5.268 12.579 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.385 -4.153 13.539 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.172 -7.547 13.380 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.828 -6.431 14.341 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.029 -8.463 14.674 1.00 0.00 H new ATOM 394 N ARG A 28 2.746 -1.716 10.211 1.00 0.00 N ATOM 395 CA ARG A 28 3.469 -0.530 9.775 1.00 0.00 C ATOM 396 C ARG A 28 4.954 -0.833 9.642 1.00 0.00 C ATOM 397 O ARG A 28 5.608 -1.250 10.598 1.00 0.00 O ATOM 398 CB ARG A 28 3.267 0.632 10.750 1.00 0.00 C ATOM 399 CG ARG A 28 2.817 1.921 10.079 1.00 0.00 C ATOM 400 CD ARG A 28 1.469 1.757 9.395 1.00 0.00 C ATOM 401 NE ARG A 28 1.252 2.770 8.365 1.00 0.00 N ATOM 402 CZ ARG A 28 1.029 4.056 8.626 1.00 0.00 C ATOM 403 NH1 ARG A 28 0.988 4.490 9.880 1.00 0.00 N ATOM 404 NH2 ARG A 28 0.845 4.912 7.629 1.00 0.00 N ATOM 0 H ARG A 28 3.310 -2.566 10.230 1.00 0.00 H new ATOM 0 HA ARG A 28 3.071 -0.239 8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.527 0.344 11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.201 0.816 11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.754 2.716 10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.562 2.229 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.408 0.765 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.675 1.820 10.139 1.00 0.00 H new ATOM 0 HE ARG A 28 1.273 2.475 7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.128 3.837 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.817 5.477 10.073 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.874 4.584 6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.674 5.898 7.828 1.00 0.00 H new ATOM 418 N ALA A 29 5.474 -0.618 8.446 1.00 0.00 N ATOM 419 CA ALA A 29 6.885 -0.860 8.153 1.00 0.00 C ATOM 420 C ALA A 29 7.172 -2.351 8.016 1.00 0.00 C ATOM 421 O ALA A 29 8.288 -2.804 8.270 1.00 0.00 O ATOM 422 CB ALA A 29 7.769 -0.247 9.231 1.00 0.00 C ATOM 0 H ALA A 29 4.937 -0.272 7.651 1.00 0.00 H new ATOM 0 HA ALA A 29 7.114 -0.383 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.816 -0.438 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.597 0.828 9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.528 -0.692 10.196 1.00 0.00 H new ATOM 428 N GLY A 30 6.158 -3.110 7.611 1.00 0.00 N ATOM 429 CA GLY A 30 6.324 -4.543 7.445 1.00 0.00 C ATOM 430 C GLY A 30 6.089 -5.000 6.017 1.00 0.00 C ATOM 431 O GLY A 30 6.469 -6.110 5.645 1.00 0.00 O ATOM 0 H GLY A 30 5.225 -2.759 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.331 -4.825 7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.632 -5.064 8.107 1.00 0.00 H new ATOM 435 N ASP A 31 5.461 -4.145 5.212 1.00 0.00 N ATOM 436 CA ASP A 31 5.178 -4.470 3.818 1.00 0.00 C ATOM 437 C ASP A 31 4.152 -5.594 3.718 1.00 0.00 C ATOM 438 O ASP A 31 3.581 -6.018 4.724 1.00 0.00 O ATOM 439 CB ASP A 31 6.463 -4.875 3.088 1.00 0.00 C ATOM 440 CG ASP A 31 7.636 -3.980 3.437 1.00 0.00 C ATOM 441 OD1 ASP A 31 7.400 -2.826 3.851 1.00 0.00 O ATOM 442 OD2 ASP A 31 8.791 -4.434 3.295 1.00 0.00 O ATOM 0 H ASP A 31 5.139 -3.222 5.503 1.00 0.00 H new ATOM 0 HA ASP A 31 4.766 -3.579 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.710 -5.907 3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.292 -4.841 2.012 1.00 0.00 H new ATOM 447 N MET A 32 3.923 -6.072 2.499 1.00 0.00 N ATOM 448 CA MET A 32 2.968 -7.149 2.266 1.00 0.00 C ATOM 449 C MET A 32 3.670 -8.379 1.700 1.00 0.00 C ATOM 450 O MET A 32 4.263 -8.324 0.623 1.00 0.00 O ATOM 451 CB MET A 32 1.868 -6.687 1.309 1.00 0.00 C ATOM 452 CG MET A 32 0.683 -6.043 2.008 1.00 0.00 C ATOM 453 SD MET A 32 -0.814 -6.069 1.004 1.00 0.00 S ATOM 454 CE MET A 32 -0.471 -4.745 -0.152 1.00 0.00 C ATOM 0 H MET A 32 4.386 -5.730 1.657 1.00 0.00 H new ATOM 0 HA MET A 32 2.516 -7.416 3.221 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.291 -5.976 0.599 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.517 -7.543 0.732 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.495 -6.562 2.948 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.930 -5.011 2.258 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.308 -4.638 -0.841 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.329 -3.813 0.394 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.434 -4.978 -0.714 1.00 0.00 H new ATOM 464 N ILE A 33 3.612 -9.486 2.436 1.00 0.00 N ATOM 465 CA ILE A 33 4.251 -10.714 2.016 1.00 0.00 C ATOM 466 C ILE A 33 3.229 -11.786 1.649 1.00 0.00 C ATOM 467 O ILE A 33 2.093 -11.760 2.118 1.00 0.00 O ATOM 468 CB ILE A 33 5.159 -11.252 3.129 1.00 0.00 C ATOM 469 CG1 ILE A 33 4.351 -11.517 4.403 1.00 0.00 C ATOM 470 CG2 ILE A 33 6.297 -10.281 3.405 1.00 0.00 C ATOM 471 CD1 ILE A 33 4.112 -12.987 4.668 1.00 0.00 C ATOM 0 H ILE A 33 3.124 -9.550 3.330 1.00 0.00 H new ATOM 0 HA ILE A 33 4.844 -10.481 1.131 1.00 0.00 H new ATOM 0 HB ILE A 33 5.589 -12.197 2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.876 -11.083 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.390 -11.008 4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.931 -10.679 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.889 -10.147 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.888 -9.320 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.534 -13.102 5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.560 -13.422 3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.069 -13.498 4.776 1.00 0.00 H new ATOM 483 N CYS A 34 3.644 -12.733 0.810 1.00 0.00 N ATOM 484 CA CYS A 34 2.763 -13.817 0.387 1.00 0.00 C ATOM 485 C CYS A 34 3.062 -15.092 1.177 1.00 0.00 C ATOM 486 O CYS A 34 4.223 -15.437 1.389 1.00 0.00 O ATOM 487 CB CYS A 34 2.936 -14.071 -1.111 1.00 0.00 C ATOM 488 SG CYS A 34 1.825 -15.318 -1.807 1.00 0.00 S ATOM 0 H CYS A 34 4.582 -12.771 0.411 1.00 0.00 H new ATOM 0 HA CYS A 34 1.731 -13.526 0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.784 -13.132 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.965 -14.379 -1.296 1.00 0.00 H new ATOM 493 N PRO A 35 2.017 -15.807 1.634 1.00 0.00 N ATOM 494 CA PRO A 35 2.187 -17.040 2.411 1.00 0.00 C ATOM 495 C PRO A 35 2.596 -18.238 1.554 1.00 0.00 C ATOM 496 O PRO A 35 2.743 -19.350 2.062 1.00 0.00 O ATOM 497 CB PRO A 35 0.800 -17.264 3.012 1.00 0.00 C ATOM 498 CG PRO A 35 -0.135 -16.649 2.030 1.00 0.00 C ATOM 499 CD PRO A 35 0.592 -15.469 1.441 1.00 0.00 C ATOM 0 HA PRO A 35 2.985 -16.945 3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.592 -18.326 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.711 -16.795 3.992 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.410 -17.364 1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.059 -16.334 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.351 -15.335 0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.328 -14.541 1.948 1.00 0.00 H new ATOM 507 N GLU A 36 2.779 -18.012 0.255 1.00 0.00 N ATOM 508 CA GLU A 36 3.169 -19.080 -0.657 1.00 0.00 C ATOM 509 C GLU A 36 4.559 -18.824 -1.239 1.00 0.00 C ATOM 510 O GLU A 36 5.539 -19.426 -0.801 1.00 0.00 O ATOM 511 CB GLU A 36 2.141 -19.221 -1.778 1.00 0.00 C ATOM 512 CG GLU A 36 0.793 -19.741 -1.307 1.00 0.00 C ATOM 513 CD GLU A 36 0.839 -21.203 -0.911 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.190 -22.040 -1.769 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.524 -21.512 0.258 1.00 0.00 O ATOM 0 H GLU A 36 2.663 -17.100 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 36 3.205 -20.012 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.000 -18.251 -2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.535 -19.895 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.456 -19.148 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.058 -19.606 -2.101 1.00 0.00 H new ATOM 522 N CYS A 37 4.648 -17.927 -2.223 1.00 0.00 N ATOM 523 CA CYS A 37 5.937 -17.611 -2.836 1.00 0.00 C ATOM 524 C CYS A 37 6.842 -16.876 -1.852 1.00 0.00 C ATOM 525 O CYS A 37 8.043 -16.737 -2.088 1.00 0.00 O ATOM 526 CB CYS A 37 5.770 -16.767 -4.108 1.00 0.00 C ATOM 527 SG CYS A 37 4.822 -15.245 -3.896 1.00 0.00 S ATOM 0 H CYS A 37 3.855 -17.414 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 37 6.399 -18.559 -3.110 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.759 -16.511 -4.488 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.284 -17.377 -4.869 1.00 0.00 H new ATOM 532 N GLY A 38 6.264 -16.404 -0.750 1.00 0.00 N ATOM 533 CA GLY A 38 7.043 -15.689 0.241 1.00 0.00 C ATOM 534 C GLY A 38 7.674 -14.436 -0.326 1.00 0.00 C ATOM 535 O GLY A 38 8.887 -14.245 -0.230 1.00 0.00 O ATOM 0 H GLY A 38 5.274 -16.505 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.403 -15.423 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.823 -16.344 0.629 1.00 0.00 H new ATOM 539 N LEU A 39 6.851 -13.577 -0.920 1.00 0.00 N ATOM 540 CA LEU A 39 7.344 -12.337 -1.503 1.00 0.00 C ATOM 541 C LEU A 39 7.146 -11.176 -0.536 1.00 0.00 C ATOM 542 O LEU A 39 6.612 -11.358 0.557 1.00 0.00 O ATOM 543 CB LEU A 39 6.637 -12.052 -2.835 1.00 0.00 C ATOM 544 CG LEU A 39 5.274 -11.364 -2.723 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.414 -9.864 -2.941 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.290 -11.961 -3.718 1.00 0.00 C ATOM 0 H LEU A 39 5.845 -13.717 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 39 8.411 -12.447 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.290 -11.429 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.506 -12.995 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 39 4.886 -11.530 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.435 -9.391 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.083 -9.448 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.824 -9.677 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.327 -11.459 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.671 -11.828 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.166 -13.025 -3.514 1.00 0.00 H new ATOM 558 N VAL A 40 7.582 -9.990 -0.946 1.00 0.00 N ATOM 559 CA VAL A 40 7.457 -8.798 -0.117 1.00 0.00 C ATOM 560 C VAL A 40 7.223 -7.557 -0.973 1.00 0.00 C ATOM 561 O VAL A 40 8.171 -6.918 -1.428 1.00 0.00 O ATOM 562 CB VAL A 40 8.717 -8.582 0.741 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.510 -7.437 1.720 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.089 -9.862 1.474 1.00 0.00 C ATOM 0 H VAL A 40 8.026 -9.829 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 40 6.599 -8.953 0.537 1.00 0.00 H new ATOM 0 HB VAL A 40 9.542 -8.316 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.412 -7.301 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.298 -6.521 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.672 -7.667 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.982 -9.691 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.266 -10.162 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.286 -10.652 0.749 1.00 0.00 H new ATOM 574 N VAL A 41 5.955 -7.220 -1.188 1.00 0.00 N ATOM 575 CA VAL A 41 5.602 -6.054 -1.989 1.00 0.00 C ATOM 576 C VAL A 41 5.280 -4.853 -1.104 1.00 0.00 C ATOM 577 O VAL A 41 4.501 -4.958 -0.157 1.00 0.00 O ATOM 578 CB VAL A 41 4.397 -6.345 -2.907 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.151 -6.646 -2.086 1.00 0.00 C ATOM 580 CG2 VAL A 41 4.152 -5.178 -3.853 1.00 0.00 C ATOM 0 H VAL A 41 5.157 -7.737 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 41 6.469 -5.821 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 41 4.628 -7.227 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.314 -6.848 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.331 -7.518 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.914 -5.788 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.298 -5.401 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.946 -4.278 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.036 -5.018 -4.470 1.00 0.00 H new ATOM 590 N GLY A 42 5.887 -3.713 -1.420 1.00 0.00 N ATOM 591 CA GLY A 42 5.653 -2.509 -0.644 1.00 0.00 C ATOM 592 C GLY A 42 6.689 -2.310 0.444 1.00 0.00 C ATOM 593 O GLY A 42 6.369 -2.360 1.632 1.00 0.00 O ATOM 0 H GLY A 42 6.536 -3.602 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.658 -1.645 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.662 -2.558 -0.193 1.00 0.00 H new ATOM 597 N ASP A 43 7.935 -2.085 0.039 1.00 0.00 N ATOM 598 CA ASP A 43 9.023 -1.878 0.988 1.00 0.00 C ATOM 599 C ASP A 43 9.144 -0.405 1.366 1.00 0.00 C ATOM 600 O ASP A 43 9.535 -0.072 2.485 1.00 0.00 O ATOM 601 CB ASP A 43 10.344 -2.376 0.400 1.00 0.00 C ATOM 602 CG ASP A 43 10.281 -3.836 -0.005 1.00 0.00 C ATOM 603 OD1 ASP A 43 10.133 -4.694 0.890 1.00 0.00 O ATOM 604 OD2 ASP A 43 10.382 -4.121 -1.217 1.00 0.00 O ATOM 0 H ASP A 43 8.216 -2.041 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 43 8.797 -2.448 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.603 -1.771 -0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.140 -2.239 1.132 1.00 0.00 H new ATOM 609 N ARG A 44 8.806 0.471 0.427 1.00 0.00 N ATOM 610 CA ARG A 44 8.877 1.909 0.662 1.00 0.00 C ATOM 611 C ARG A 44 7.738 2.368 1.567 1.00 0.00 C ATOM 612 O ARG A 44 6.810 1.610 1.847 1.00 0.00 O ATOM 613 CB ARG A 44 8.826 2.667 -0.665 1.00 0.00 C ATOM 614 CG ARG A 44 7.676 2.241 -1.565 1.00 0.00 C ATOM 615 CD ARG A 44 6.905 3.440 -2.093 1.00 0.00 C ATOM 616 NE ARG A 44 7.563 4.050 -3.245 1.00 0.00 N ATOM 617 CZ ARG A 44 7.572 3.515 -4.464 1.00 0.00 C ATOM 618 NH1 ARG A 44 6.958 2.360 -4.693 1.00 0.00 N ATOM 619 NH2 ARG A 44 8.195 4.135 -5.456 1.00 0.00 N ATOM 0 H ARG A 44 8.480 0.211 -0.504 1.00 0.00 H new ATOM 0 HA ARG A 44 9.823 2.125 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.741 3.734 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.766 2.518 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.064 1.660 -2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.001 1.589 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.899 3.129 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.801 4.181 -1.301 1.00 0.00 H new ATOM 0 HE ARG A 44 8.044 4.939 -3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.477 1.879 -3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.968 1.954 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.668 5.023 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.202 3.725 -6.390 1.00 0.00 H new ATOM 633 N VAL A 45 7.817 3.615 2.021 1.00 0.00 N ATOM 634 CA VAL A 45 6.793 4.176 2.894 1.00 0.00 C ATOM 635 C VAL A 45 6.500 5.628 2.533 1.00 0.00 C ATOM 636 O VAL A 45 7.270 6.529 2.868 1.00 0.00 O ATOM 637 CB VAL A 45 7.213 4.102 4.374 1.00 0.00 C ATOM 638 CG1 VAL A 45 6.059 4.507 5.278 1.00 0.00 C ATOM 639 CG2 VAL A 45 7.706 2.705 4.720 1.00 0.00 C ATOM 0 H VAL A 45 8.579 4.255 1.799 1.00 0.00 H new ATOM 0 HA VAL A 45 5.893 3.579 2.750 1.00 0.00 H new ATOM 0 HB VAL A 45 8.033 4.802 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.375 4.448 6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.757 5.529 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.217 3.835 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.998 2.672 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.909 1.983 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.565 2.457 4.096 1.00 0.00 H new ATOM 649 N ILE A 46 5.383 5.849 1.849 1.00 0.00 N ATOM 650 CA ILE A 46 4.989 7.193 1.443 1.00 0.00 C ATOM 651 C ILE A 46 4.814 8.103 2.656 1.00 0.00 C ATOM 652 O ILE A 46 3.743 8.152 3.261 1.00 0.00 O ATOM 653 CB ILE A 46 3.681 7.171 0.625 1.00 0.00 C ATOM 654 CG1 ILE A 46 3.305 8.585 0.173 1.00 0.00 C ATOM 655 CG2 ILE A 46 2.554 6.549 1.437 1.00 0.00 C ATOM 656 CD1 ILE A 46 2.894 8.666 -1.282 1.00 0.00 C ATOM 0 H ILE A 46 4.734 5.115 1.564 1.00 0.00 H new ATOM 0 HA ILE A 46 5.789 7.586 0.816 1.00 0.00 H new ATOM 0 HB ILE A 46 3.841 6.560 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.487 8.951 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.153 9.249 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.639 6.542 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.820 5.527 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.394 7.132 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.642 9.696 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.718 8.331 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.026 8.029 -1.451 1.00 0.00 H new ATOM 668 N ASP A 47 5.876 8.821 3.007 1.00 0.00 N ATOM 669 CA ASP A 47 5.842 9.729 4.147 1.00 0.00 C ATOM 670 C ASP A 47 5.680 11.174 3.687 1.00 0.00 C ATOM 671 O ASP A 47 6.663 11.866 3.421 1.00 0.00 O ATOM 672 CB ASP A 47 7.119 9.585 4.978 1.00 0.00 C ATOM 673 CG ASP A 47 6.958 8.601 6.119 1.00 0.00 C ATOM 674 OD1 ASP A 47 6.348 8.974 7.143 1.00 0.00 O ATOM 675 OD2 ASP A 47 7.443 7.457 5.990 1.00 0.00 O ATOM 0 H ASP A 47 6.771 8.791 2.518 1.00 0.00 H new ATOM 0 HA ASP A 47 4.983 9.466 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.934 9.258 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.400 10.559 5.379 1.00 0.00 H new ATOM 680 N VAL A 48 4.432 11.624 3.595 1.00 0.00 N ATOM 681 CA VAL A 48 4.141 12.987 3.168 1.00 0.00 C ATOM 682 C VAL A 48 3.520 13.797 4.301 1.00 0.00 C ATOM 683 O VAL A 48 2.301 13.948 4.374 1.00 0.00 O ATOM 684 CB VAL A 48 3.188 13.005 1.958 1.00 0.00 C ATOM 685 CG1 VAL A 48 3.056 14.414 1.403 1.00 0.00 C ATOM 686 CG2 VAL A 48 3.671 12.043 0.883 1.00 0.00 C ATOM 0 H VAL A 48 3.607 11.064 3.811 1.00 0.00 H new ATOM 0 HA VAL A 48 5.091 13.438 2.880 1.00 0.00 H new ATOM 0 HB VAL A 48 2.203 12.677 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.379 14.407 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.659 15.073 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.035 14.774 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.985 12.069 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.667 12.337 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.707 11.032 1.289 1.00 0.00 H new ATOM 696 N GLY A 49 4.368 14.316 5.183 1.00 0.00 N ATOM 697 CA GLY A 49 3.884 15.105 6.301 1.00 0.00 C ATOM 698 C GLY A 49 3.664 16.558 5.932 1.00 0.00 C ATOM 699 O GLY A 49 4.586 17.370 6.002 1.00 0.00 O ATOM 0 H GLY A 49 5.381 14.204 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.948 14.680 6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.600 15.046 7.121 1.00 0.00 H new ATOM 703 N SER A 50 2.439 16.887 5.536 1.00 0.00 N ATOM 704 CA SER A 50 2.101 18.253 5.154 1.00 0.00 C ATOM 705 C SER A 50 0.590 18.463 5.159 1.00 0.00 C ATOM 706 O SER A 50 0.057 19.229 4.357 1.00 0.00 O ATOM 707 CB SER A 50 2.666 18.572 3.768 1.00 0.00 C ATOM 708 OG SER A 50 3.026 19.938 3.666 1.00 0.00 O ATOM 0 H SER A 50 1.664 16.227 5.471 1.00 0.00 H new ATOM 0 HA SER A 50 2.546 18.928 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.538 17.947 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.926 18.330 3.006 1.00 0.00 H new ATOM 0 HG SER A 50 3.386 20.116 2.772 1.00 0.00 H new ATOM 714 N GLU A 51 -0.095 17.778 6.069 1.00 0.00 N ATOM 715 CA GLU A 51 -1.546 17.891 6.178 1.00 0.00 C ATOM 716 C GLU A 51 -1.970 18.255 7.601 1.00 0.00 C ATOM 717 O GLU A 51 -3.153 18.194 7.934 1.00 0.00 O ATOM 718 CB GLU A 51 -2.211 16.579 5.755 1.00 0.00 C ATOM 719 CG GLU A 51 -2.689 16.577 4.313 1.00 0.00 C ATOM 720 CD GLU A 51 -3.997 17.323 4.132 1.00 0.00 C ATOM 721 OE1 GLU A 51 -5.029 16.846 4.649 1.00 0.00 O ATOM 722 OE2 GLU A 51 -3.989 18.383 3.472 1.00 0.00 O ATOM 0 H GLU A 51 0.330 17.139 6.741 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.870 18.691 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.504 15.761 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.060 16.384 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.926 17.030 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.812 15.548 3.976 1.00 0.00 H new ATOM 729 N TRP A 52 -1.001 18.635 8.434 1.00 0.00 N ATOM 730 CA TRP A 52 -1.276 19.009 9.819 1.00 0.00 C ATOM 731 C TRP A 52 -1.752 17.807 10.631 1.00 0.00 C ATOM 732 O TRP A 52 -1.067 17.356 11.548 1.00 0.00 O ATOM 733 CB TRP A 52 -2.322 20.126 9.877 1.00 0.00 C ATOM 734 CG TRP A 52 -1.932 21.345 9.098 1.00 0.00 C ATOM 735 CD1 TRP A 52 -1.080 22.334 9.496 1.00 0.00 C ATOM 736 CD2 TRP A 52 -2.381 21.705 7.786 1.00 0.00 C ATOM 737 NE1 TRP A 52 -0.970 23.287 8.513 1.00 0.00 N ATOM 738 CE2 TRP A 52 -1.760 22.924 7.453 1.00 0.00 C ATOM 739 CE3 TRP A 52 -3.247 21.116 6.861 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -1.978 23.562 6.235 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -3.463 21.751 5.652 1.00 0.00 C ATOM 742 CH2 TRP A 52 -2.830 22.962 5.348 1.00 0.00 C ATOM 0 H TRP A 52 -0.017 18.692 8.172 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.345 19.371 10.256 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.270 19.747 9.495 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.487 20.406 10.917 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.567 22.363 10.446 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.394 24.128 8.563 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.739 20.181 7.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.492 24.497 5.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.131 21.305 4.930 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -3.018 23.432 4.394 1.00 0.00 H new ATOM 753 N ARG A 53 -2.930 17.294 10.288 1.00 0.00 N ATOM 754 CA ARG A 53 -3.499 16.145 10.985 1.00 0.00 C ATOM 755 C ARG A 53 -3.891 16.515 12.412 1.00 0.00 C ATOM 756 O ARG A 53 -3.110 16.338 13.347 1.00 0.00 O ATOM 757 CB ARG A 53 -2.506 14.979 10.998 1.00 0.00 C ATOM 758 CG ARG A 53 -3.134 13.641 10.647 1.00 0.00 C ATOM 759 CD ARG A 53 -4.262 13.287 11.602 1.00 0.00 C ATOM 760 NE ARG A 53 -4.624 11.874 11.522 1.00 0.00 N ATOM 761 CZ ARG A 53 -5.507 11.288 12.327 1.00 0.00 C ATOM 762 NH1 ARG A 53 -6.121 11.988 13.272 1.00 0.00 N ATOM 763 NH2 ARG A 53 -5.778 9.997 12.186 1.00 0.00 N ATOM 0 H ARG A 53 -3.510 17.656 9.531 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.397 15.836 10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.702 15.190 10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.053 14.910 11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.517 13.674 9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.373 12.862 10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.962 13.527 12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.135 13.898 11.374 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.173 11.303 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.917 12.981 13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.797 11.533 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.310 9.454 11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.455 9.548 12.803 1.00 0.00 H new ATOM 777 N THR A 54 -5.105 17.030 12.571 1.00 0.00 N ATOM 778 CA THR A 54 -5.602 17.426 13.884 1.00 0.00 C ATOM 779 C THR A 54 -7.127 17.457 13.901 1.00 0.00 C ATOM 780 O THR A 54 -7.771 17.414 12.853 1.00 0.00 O ATOM 781 CB THR A 54 -5.048 18.800 14.267 1.00 0.00 C ATOM 782 OG1 THR A 54 -3.672 18.892 13.946 1.00 0.00 O ATOM 783 CG2 THR A 54 -5.199 19.118 15.739 1.00 0.00 C ATOM 0 H THR A 54 -5.763 17.183 11.807 1.00 0.00 H new ATOM 0 HA THR A 54 -5.263 16.689 14.612 1.00 0.00 H new ATOM 0 HB THR A 54 -5.636 19.518 13.696 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.250 18.015 14.063 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.786 20.106 15.942 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.255 19.104 16.008 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.665 18.373 16.329 1.00 0.00 H new ATOM 791 N PHE A 55 -7.698 17.533 15.099 1.00 0.00 N ATOM 792 CA PHE A 55 -9.149 17.571 15.251 1.00 0.00 C ATOM 793 C PHE A 55 -9.658 19.009 15.234 1.00 0.00 C ATOM 794 O PHE A 55 -10.273 19.475 16.193 1.00 0.00 O ATOM 795 CB PHE A 55 -9.573 16.877 16.550 1.00 0.00 C ATOM 796 CG PHE A 55 -8.707 17.213 17.732 1.00 0.00 C ATOM 797 CD1 PHE A 55 -9.002 18.302 18.537 1.00 0.00 C ATOM 798 CD2 PHE A 55 -7.599 16.438 18.037 1.00 0.00 C ATOM 799 CE1 PHE A 55 -8.207 18.612 19.624 1.00 0.00 C ATOM 800 CE2 PHE A 55 -6.801 16.744 19.123 1.00 0.00 C ATOM 801 CZ PHE A 55 -7.106 17.832 19.918 1.00 0.00 C ATOM 0 H PHE A 55 -7.180 17.569 15.977 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.590 17.038 14.409 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.603 17.151 16.777 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.557 15.798 16.396 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.862 18.915 18.312 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.357 15.586 17.419 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.447 19.464 20.243 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.940 16.133 19.350 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.484 18.072 20.768 1.00 0.00 H new ATOM 811 N SER A 56 -9.397 19.708 14.133 1.00 0.00 N ATOM 812 CA SER A 56 -9.827 21.093 13.985 1.00 0.00 C ATOM 813 C SER A 56 -9.168 21.983 15.034 1.00 0.00 C ATOM 814 O SER A 56 -8.882 21.541 16.147 1.00 0.00 O ATOM 815 CB SER A 56 -11.350 21.194 14.099 1.00 0.00 C ATOM 816 OG SER A 56 -11.984 20.126 13.416 1.00 0.00 O ATOM 0 H SER A 56 -8.889 19.337 13.330 1.00 0.00 H new ATOM 0 HA SER A 56 -9.520 21.437 12.997 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.641 21.182 15.149 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.687 22.145 13.686 1.00 0.00 H new ATOM 0 HG SER A 56 -12.956 20.212 13.505 1.00 0.00 H new ATOM 822 N ASN A 57 -8.929 23.239 14.671 1.00 0.00 N ATOM 823 CA ASN A 57 -8.304 24.191 15.581 1.00 0.00 C ATOM 824 C ASN A 57 -9.282 24.628 16.667 1.00 0.00 C ATOM 825 O ASN A 57 -10.498 24.557 16.487 1.00 0.00 O ATOM 826 CB ASN A 57 -7.799 25.411 14.806 1.00 0.00 C ATOM 827 CG ASN A 57 -6.313 25.645 15.000 1.00 0.00 C ATOM 828 OD1 ASN A 57 -5.510 24.716 14.911 1.00 0.00 O ATOM 829 ND2 ASN A 57 -5.940 26.891 15.267 1.00 0.00 N ATOM 0 H ASN A 57 -9.159 23.621 13.753 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.457 23.699 16.060 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.007 25.275 13.745 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.348 26.296 15.128 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.954 27.109 15.407 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.640 27.630 15.332 1.00 0.00 H new ATOM 836 N ASP A 58 -8.743 25.080 17.795 1.00 0.00 N ATOM 837 CA ASP A 58 -9.568 25.529 18.910 1.00 0.00 C ATOM 838 C ASP A 58 -9.926 27.004 18.764 1.00 0.00 C ATOM 839 O ASP A 58 -11.001 27.437 19.180 1.00 0.00 O ATOM 840 CB ASP A 58 -8.841 25.297 20.235 1.00 0.00 C ATOM 841 CG ASP A 58 -9.789 25.268 21.418 1.00 0.00 C ATOM 842 OD1 ASP A 58 -10.170 26.354 21.901 1.00 0.00 O ATOM 843 OD2 ASP A 58 -10.150 24.157 21.861 1.00 0.00 O ATOM 0 H ASP A 58 -7.739 25.145 17.961 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.490 24.948 18.903 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.296 24.354 20.187 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.103 26.085 20.384 1.00 0.00 H new ATOM 848 N LYS A 59 -9.019 27.772 18.169 1.00 0.00 N ATOM 849 CA LYS A 59 -9.239 29.199 17.967 1.00 0.00 C ATOM 850 C LYS A 59 -9.867 29.464 16.603 1.00 0.00 C ATOM 851 O LYS A 59 -9.695 28.683 15.667 1.00 0.00 O ATOM 852 CB LYS A 59 -7.918 29.962 18.094 1.00 0.00 C ATOM 853 CG LYS A 59 -7.751 30.670 19.430 1.00 0.00 C ATOM 854 CD LYS A 59 -6.635 30.051 20.257 1.00 0.00 C ATOM 855 CE LYS A 59 -6.966 28.622 20.662 1.00 0.00 C ATOM 856 NZ LYS A 59 -6.121 27.631 19.941 1.00 0.00 N ATOM 857 OXT LYS A 59 -10.666 30.634 16.408 1.00 0.00 O ATOM 0 H LYS A 59 -8.124 27.430 17.818 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.927 29.549 18.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.091 29.266 17.955 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.854 30.697 17.292 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.535 31.725 19.259 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.687 30.622 19.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.708 30.062 19.684 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.466 30.653 21.150 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.824 28.507 21.737 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.017 28.421 20.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.053 26.759 20.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.550 27.415 19.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.170 28.026 19.797 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.572 -15.734 -3.935 1.00 0.00 ZN