USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 170:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0.543 USER MOD Set 2.1: A 1 MET CE :methyl -119:sc= -5.04! (180deg=-9.13!) USER MOD Set 2.2: A 8 SER OG : rot 66:sc= 1.03 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.02) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 159:sc= -3.99 (180deg=-6.73!) USER MOD Single : A 50 SER OG : rot 109:sc= 0.137 USER MOD Single : A 51 HIS : no HD1:sc=-0.00787 X(o=-0.0079,f=-0.0079) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.514 4.657 0.793 1.00 0.00 N ATOM 2 CA MET A 1 -6.391 4.629 1.725 1.00 0.00 C ATOM 3 C MET A 1 -6.865 4.823 3.160 1.00 0.00 C ATOM 4 O MET A 1 -8.060 4.763 3.446 1.00 0.00 O ATOM 5 CB MET A 1 -5.365 5.706 1.360 1.00 0.00 C ATOM 6 CG MET A 1 -5.812 7.123 1.688 1.00 0.00 C ATOM 7 SD MET A 1 -4.441 8.293 1.725 1.00 0.00 S ATOM 8 CE MET A 1 -3.370 7.523 2.937 1.00 0.00 C ATOM 0 H1 MET A 1 -7.155 4.693 -0.182 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.090 3.800 0.918 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.098 5.497 0.978 1.00 0.00 H new ATOM 0 HA MET A 1 -5.918 3.650 1.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.433 5.499 1.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.150 5.642 0.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.543 7.449 0.948 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.314 7.127 2.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.234 8.197 3.783 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.821 6.593 3.283 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.402 7.310 2.484 1.00 0.00 H new ATOM 18 N ILE A 2 -5.914 5.052 4.056 1.00 0.00 N ATOM 19 CA ILE A 2 -6.222 5.255 5.466 1.00 0.00 C ATOM 20 C ILE A 2 -5.590 6.553 5.967 1.00 0.00 C ATOM 21 O ILE A 2 -4.421 6.826 5.698 1.00 0.00 O ATOM 22 CB ILE A 2 -5.721 4.061 6.316 1.00 0.00 C ATOM 23 CG1 ILE A 2 -6.485 2.791 5.939 1.00 0.00 C ATOM 24 CG2 ILE A 2 -5.855 4.334 7.810 1.00 0.00 C ATOM 25 CD1 ILE A 2 -6.205 2.313 4.532 1.00 0.00 C ATOM 0 H ILE A 2 -4.920 5.102 3.831 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.305 5.324 5.570 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.661 3.922 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.226 1.999 6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.554 2.975 6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.493 3.473 8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.266 5.212 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.902 4.512 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.780 1.409 4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.491 3.088 3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.142 2.097 4.426 1.00 0.00 H new ATOM 37 N PRO A 3 -6.365 7.387 6.679 1.00 0.00 N ATOM 38 CA PRO A 3 -5.856 8.635 7.253 1.00 0.00 C ATOM 39 C PRO A 3 -4.924 8.344 8.409 1.00 0.00 C ATOM 40 O PRO A 3 -4.735 7.182 8.765 1.00 0.00 O ATOM 41 CB PRO A 3 -7.123 9.313 7.762 1.00 0.00 C ATOM 42 CG PRO A 3 -7.974 8.166 8.165 1.00 0.00 C ATOM 43 CD PRO A 3 -7.763 7.139 7.083 1.00 0.00 C ATOM 0 HA PRO A 3 -5.290 9.238 6.543 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.916 9.977 8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.598 9.916 6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.682 7.779 9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.022 8.456 8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.905 6.124 7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.456 7.275 6.253 1.00 0.00 H new ATOM 51 N VAL A 4 -4.373 9.385 9.022 1.00 0.00 N ATOM 52 CA VAL A 4 -3.508 9.184 10.172 1.00 0.00 C ATOM 53 C VAL A 4 -2.240 8.422 9.767 1.00 0.00 C ATOM 54 O VAL A 4 -1.162 9.004 9.638 1.00 0.00 O ATOM 55 CB VAL A 4 -4.299 8.433 11.286 1.00 0.00 C ATOM 56 CG1 VAL A 4 -3.419 7.521 12.140 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.026 9.436 12.170 1.00 0.00 C ATOM 0 H VAL A 4 -4.507 10.358 8.747 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.191 10.150 10.564 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.018 7.787 10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.031 7.029 12.896 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.951 6.769 11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.647 8.115 12.629 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.577 8.905 12.946 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.301 10.105 12.633 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.722 10.017 11.565 1.00 0.00 H new ATOM 67 N ARG A 5 -2.388 7.117 9.590 1.00 0.00 N ATOM 68 CA ARG A 5 -1.283 6.251 9.211 1.00 0.00 C ATOM 69 C ARG A 5 -0.625 6.719 7.917 1.00 0.00 C ATOM 70 O ARG A 5 -1.083 7.669 7.282 1.00 0.00 O ATOM 71 CB ARG A 5 -1.798 4.823 9.050 1.00 0.00 C ATOM 72 CG ARG A 5 -1.110 3.818 9.958 1.00 0.00 C ATOM 73 CD ARG A 5 -1.789 3.738 11.315 1.00 0.00 C ATOM 74 NE ARG A 5 -2.529 2.490 11.484 1.00 0.00 N ATOM 75 CZ ARG A 5 -1.959 1.333 11.804 1.00 0.00 C ATOM 76 NH1 ARG A 5 -0.647 1.265 11.984 1.00 0.00 N ATOM 77 NH2 ARG A 5 -2.699 0.241 11.939 1.00 0.00 N ATOM 0 H ARG A 5 -3.277 6.630 9.705 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.528 6.288 9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.869 4.808 9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.665 4.513 8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.119 2.835 9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.065 4.100 10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.039 3.824 12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.470 4.582 11.430 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.540 2.508 11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.073 2.102 11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.211 0.376 12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.708 0.288 11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.259 -0.646 12.185 1.00 0.00 H new ATOM 91 N CYS A 6 0.451 6.040 7.531 1.00 0.00 N ATOM 92 CA CYS A 6 1.182 6.381 6.317 1.00 0.00 C ATOM 93 C CYS A 6 0.867 5.407 5.189 1.00 0.00 C ATOM 94 O CYS A 6 1.378 4.291 5.159 1.00 0.00 O ATOM 95 CB CYS A 6 2.688 6.390 6.593 1.00 0.00 C ATOM 96 SG CYS A 6 3.471 8.003 6.371 1.00 0.00 S ATOM 0 H CYS A 6 0.837 5.247 8.044 1.00 0.00 H new ATOM 0 HA CYS A 6 0.866 7.376 6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.861 6.052 7.615 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.171 5.670 5.933 1.00 0.00 H new ATOM 101 N LEU A 7 0.023 5.846 4.261 1.00 0.00 N ATOM 102 CA LEU A 7 -0.345 5.038 3.109 1.00 0.00 C ATOM 103 C LEU A 7 -0.281 5.886 1.845 1.00 0.00 C ATOM 104 O LEU A 7 -1.173 5.833 1.002 1.00 0.00 O ATOM 105 CB LEU A 7 -1.758 4.476 3.271 1.00 0.00 C ATOM 106 CG LEU A 7 -2.004 3.560 4.479 1.00 0.00 C ATOM 107 CD1 LEU A 7 -0.811 2.661 4.767 1.00 0.00 C ATOM 108 CD2 LEU A 7 -2.349 4.396 5.697 1.00 0.00 C ATOM 0 H LEU A 7 -0.421 6.764 4.287 1.00 0.00 H new ATOM 0 HA LEU A 7 0.357 4.207 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.452 5.314 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.009 3.921 2.367 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.844 2.908 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.030 2.031 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.611 2.032 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.064 3.275 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.522 3.741 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.523 5.072 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.249 4.977 5.497 1.00 0.00 H new ATOM 120 N SER A 8 0.762 6.697 1.748 1.00 0.00 N ATOM 121 CA SER A 8 0.950 7.576 0.599 1.00 0.00 C ATOM 122 C SER A 8 2.285 8.307 0.690 1.00 0.00 C ATOM 123 O SER A 8 3.157 8.139 -0.163 1.00 0.00 O ATOM 124 CB SER A 8 -0.194 8.588 0.513 1.00 0.00 C ATOM 125 OG SER A 8 -1.304 8.045 -0.181 1.00 0.00 O ATOM 0 H SER A 8 1.495 6.766 2.454 1.00 0.00 H new ATOM 0 HA SER A 8 0.951 6.963 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.498 8.884 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.151 9.489 0.006 1.00 0.00 H new ATOM 0 HG SER A 8 -1.682 7.304 0.336 1.00 0.00 H new ATOM 131 N CYS A 9 2.439 9.118 1.732 1.00 0.00 N ATOM 132 CA CYS A 9 3.671 9.867 1.947 1.00 0.00 C ATOM 133 C CYS A 9 3.895 10.915 0.857 1.00 0.00 C ATOM 134 O CYS A 9 4.995 11.450 0.720 1.00 0.00 O ATOM 135 CB CYS A 9 4.866 8.912 1.998 1.00 0.00 C ATOM 136 SG CYS A 9 5.897 9.098 3.471 1.00 0.00 S ATOM 0 H CYS A 9 1.723 9.273 2.442 1.00 0.00 H new ATOM 0 HA CYS A 9 3.576 10.388 2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.500 7.886 1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.483 9.071 1.113 1.00 0.00 H new ATOM 141 N GLY A 10 2.850 11.214 0.090 1.00 0.00 N ATOM 142 CA GLY A 10 2.968 12.201 -0.968 1.00 0.00 C ATOM 143 C GLY A 10 2.153 11.837 -2.190 1.00 0.00 C ATOM 144 O GLY A 10 1.627 12.710 -2.880 1.00 0.00 O ATOM 0 H GLY A 10 1.926 10.791 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.643 13.172 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.016 12.303 -1.251 1.00 0.00 H new ATOM 148 N LYS A 11 2.054 10.541 -2.460 1.00 0.00 N ATOM 149 CA LYS A 11 1.308 10.055 -3.611 1.00 0.00 C ATOM 150 C LYS A 11 0.207 9.091 -3.177 1.00 0.00 C ATOM 151 O LYS A 11 0.393 8.299 -2.253 1.00 0.00 O ATOM 152 CB LYS A 11 2.256 9.361 -4.590 1.00 0.00 C ATOM 153 CG LYS A 11 2.629 10.220 -5.786 1.00 0.00 C ATOM 154 CD LYS A 11 3.402 11.453 -5.353 1.00 0.00 C ATOM 155 CE LYS A 11 2.817 12.720 -5.956 1.00 0.00 C ATOM 156 NZ LYS A 11 3.360 12.993 -7.316 1.00 0.00 N ATOM 0 H LYS A 11 2.482 9.807 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 11 0.841 10.907 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.165 9.074 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.790 8.442 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.230 9.637 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.726 10.521 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.390 11.528 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.445 11.354 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.732 12.628 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.033 13.566 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.935 13.865 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.392 13.106 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.132 12.198 -7.947 1.00 0.00 H new ATOM 170 N PRO A 12 -0.962 9.152 -3.836 1.00 0.00 N ATOM 171 CA PRO A 12 -2.094 8.279 -3.512 1.00 0.00 C ATOM 172 C PRO A 12 -1.772 6.809 -3.752 1.00 0.00 C ATOM 173 O PRO A 12 -1.196 6.449 -4.778 1.00 0.00 O ATOM 174 CB PRO A 12 -3.200 8.747 -4.461 1.00 0.00 C ATOM 175 CG PRO A 12 -2.489 9.443 -5.570 1.00 0.00 C ATOM 176 CD PRO A 12 -1.270 10.064 -4.951 1.00 0.00 C ATOM 0 HA PRO A 12 -2.369 8.346 -2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.783 7.905 -4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.895 9.417 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.213 8.742 -6.358 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.125 10.202 -6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.445 10.127 -5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.467 11.077 -4.601 1.00 0.00 H new ATOM 184 N VAL A 13 -2.146 5.964 -2.799 1.00 0.00 N ATOM 185 CA VAL A 13 -1.893 4.533 -2.907 1.00 0.00 C ATOM 186 C VAL A 13 -3.181 3.759 -3.207 1.00 0.00 C ATOM 187 O VAL A 13 -3.134 2.610 -3.645 1.00 0.00 O ATOM 188 CB VAL A 13 -1.233 3.980 -1.621 1.00 0.00 C ATOM 189 CG1 VAL A 13 -0.054 4.853 -1.215 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.239 3.881 -0.481 1.00 0.00 C ATOM 0 H VAL A 13 -2.625 6.245 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.203 4.393 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.870 2.975 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.401 4.452 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.684 4.864 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.401 5.869 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.744 3.489 0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.643 4.870 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.050 3.213 -0.769 1.00 0.00 H new ATOM 200 N SER A 14 -4.327 4.397 -2.972 1.00 0.00 N ATOM 201 CA SER A 14 -5.619 3.762 -3.214 1.00 0.00 C ATOM 202 C SER A 14 -5.765 3.345 -4.674 1.00 0.00 C ATOM 203 O SER A 14 -6.013 2.178 -4.975 1.00 0.00 O ATOM 204 CB SER A 14 -6.756 4.713 -2.831 1.00 0.00 C ATOM 205 OG SER A 14 -6.442 5.436 -1.653 1.00 0.00 O ATOM 0 H SER A 14 -4.386 5.351 -2.615 1.00 0.00 H new ATOM 0 HA SER A 14 -5.672 2.866 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.944 5.408 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.674 4.145 -2.679 1.00 0.00 H new ATOM 0 HG SER A 14 -7.183 6.037 -1.431 1.00 0.00 H new ATOM 211 N ALA A 15 -5.623 4.306 -5.581 1.00 0.00 N ATOM 212 CA ALA A 15 -5.743 4.030 -7.006 1.00 0.00 C ATOM 213 C ALA A 15 -4.741 2.966 -7.444 1.00 0.00 C ATOM 214 O ALA A 15 -4.988 2.218 -8.391 1.00 0.00 O ATOM 215 CB ALA A 15 -5.548 5.306 -7.811 1.00 0.00 C ATOM 0 H ALA A 15 -5.425 5.281 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.746 3.647 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.641 5.083 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.306 6.036 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.558 5.715 -7.611 1.00 0.00 H new ATOM 221 N TYR A 16 -3.611 2.905 -6.748 1.00 0.00 N ATOM 222 CA TYR A 16 -2.568 1.943 -7.066 1.00 0.00 C ATOM 223 C TYR A 16 -2.805 0.614 -6.355 1.00 0.00 C ATOM 224 O TYR A 16 -2.375 -0.439 -6.830 1.00 0.00 O ATOM 225 CB TYR A 16 -1.205 2.511 -6.678 1.00 0.00 C ATOM 226 CG TYR A 16 -0.538 3.287 -7.790 1.00 0.00 C ATOM 227 CD1 TYR A 16 0.071 2.631 -8.854 1.00 0.00 C ATOM 228 CD2 TYR A 16 -0.529 4.677 -7.786 1.00 0.00 C ATOM 229 CE1 TYR A 16 0.680 3.337 -9.874 1.00 0.00 C ATOM 230 CE2 TYR A 16 0.081 5.390 -8.801 1.00 0.00 C ATOM 231 CZ TYR A 16 0.681 4.715 -9.843 1.00 0.00 C ATOM 232 OH TYR A 16 1.286 5.422 -10.857 1.00 0.00 O ATOM 0 H TYR A 16 -3.396 3.513 -5.958 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.591 1.757 -8.140 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.324 3.162 -5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.552 1.693 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.068 1.551 -8.884 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.007 5.209 -6.976 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.153 2.812 -10.691 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.088 6.470 -8.778 1.00 0.00 H new ATOM 0 HH TYR A 16 1.197 6.383 -10.684 1.00 0.00 H new ATOM 242 N PHE A 17 -3.494 0.664 -5.217 1.00 0.00 N ATOM 243 CA PHE A 17 -3.791 -0.545 -4.452 1.00 0.00 C ATOM 244 C PHE A 17 -4.335 -1.641 -5.362 1.00 0.00 C ATOM 245 O PHE A 17 -4.170 -2.830 -5.088 1.00 0.00 O ATOM 246 CB PHE A 17 -4.794 -0.247 -3.332 1.00 0.00 C ATOM 247 CG PHE A 17 -4.163 0.146 -2.020 1.00 0.00 C ATOM 248 CD1 PHE A 17 -2.838 0.555 -1.955 1.00 0.00 C ATOM 249 CD2 PHE A 17 -4.903 0.106 -0.850 1.00 0.00 C ATOM 250 CE1 PHE A 17 -2.267 0.911 -0.748 1.00 0.00 C ATOM 251 CE2 PHE A 17 -4.337 0.464 0.358 1.00 0.00 C ATOM 252 CZ PHE A 17 -3.018 0.868 0.409 1.00 0.00 C ATOM 0 H PHE A 17 -3.856 1.524 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.861 -0.894 -4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.456 0.555 -3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.415 -1.128 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.247 0.595 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.936 -0.209 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.234 1.223 -0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.926 0.428 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.575 1.150 1.353 1.00 0.00 H new ATOM 262 N ASN A 18 -4.967 -1.231 -6.458 1.00 0.00 N ATOM 263 CA ASN A 18 -5.503 -2.177 -7.426 1.00 0.00 C ATOM 264 C ASN A 18 -4.375 -2.995 -8.040 1.00 0.00 C ATOM 265 O ASN A 18 -4.526 -4.188 -8.300 1.00 0.00 O ATOM 266 CB ASN A 18 -6.273 -1.441 -8.523 1.00 0.00 C ATOM 267 CG ASN A 18 -7.434 -0.635 -7.974 1.00 0.00 C ATOM 268 OD1 ASN A 18 -7.893 -0.869 -6.856 1.00 0.00 O ATOM 269 ND2 ASN A 18 -7.914 0.321 -8.761 1.00 0.00 N ATOM 0 H ASN A 18 -5.119 -0.251 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.188 -2.849 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.593 -0.777 -9.057 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.647 -2.164 -9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.695 0.897 -8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.502 0.479 -9.681 1.00 0.00 H new ATOM 276 N GLU A 19 -3.235 -2.344 -8.254 1.00 0.00 N ATOM 277 CA GLU A 19 -2.066 -3.011 -8.810 1.00 0.00 C ATOM 278 C GLU A 19 -1.575 -4.094 -7.858 1.00 0.00 C ATOM 279 O GLU A 19 -1.356 -5.237 -8.259 1.00 0.00 O ATOM 280 CB GLU A 19 -0.952 -1.996 -9.074 1.00 0.00 C ATOM 281 CG GLU A 19 -0.158 -2.276 -10.340 1.00 0.00 C ATOM 282 CD GLU A 19 -0.851 -1.764 -11.588 1.00 0.00 C ATOM 283 OE1 GLU A 19 -2.045 -1.406 -11.500 1.00 0.00 O ATOM 284 OE2 GLU A 19 -0.200 -1.720 -12.653 1.00 0.00 O ATOM 0 H GLU A 19 -3.098 -1.354 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.347 -3.476 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.389 -1.000 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.271 -1.988 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.825 -1.812 -10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.003 -3.350 -10.433 1.00 0.00 H new ATOM 291 N TYR A 20 -1.431 -3.730 -6.589 1.00 0.00 N ATOM 292 CA TYR A 20 -1.008 -4.674 -5.563 1.00 0.00 C ATOM 293 C TYR A 20 -1.948 -5.873 -5.530 1.00 0.00 C ATOM 294 O TYR A 20 -1.511 -7.024 -5.523 1.00 0.00 O ATOM 295 CB TYR A 20 -0.987 -3.980 -4.197 1.00 0.00 C ATOM 296 CG TYR A 20 -0.862 -4.923 -3.019 1.00 0.00 C ATOM 297 CD1 TYR A 20 -1.984 -5.533 -2.475 1.00 0.00 C ATOM 298 CD2 TYR A 20 0.375 -5.195 -2.447 1.00 0.00 C ATOM 299 CE1 TYR A 20 -1.878 -6.392 -1.397 1.00 0.00 C ATOM 300 CE2 TYR A 20 0.488 -6.051 -1.368 1.00 0.00 C ATOM 301 CZ TYR A 20 -0.640 -6.648 -0.848 1.00 0.00 C ATOM 302 OH TYR A 20 -0.531 -7.503 0.224 1.00 0.00 O ATOM 0 H TYR A 20 -1.602 -2.785 -6.246 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.004 -5.027 -5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.155 -3.276 -4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.901 -3.397 -4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.956 -5.333 -2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.262 -4.730 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.761 -6.860 -0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.456 -6.251 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 20 0.409 -7.576 0.490 1.00 0.00 H new ATOM 312 N GLN A 21 -3.243 -5.586 -5.512 1.00 0.00 N ATOM 313 CA GLN A 21 -4.259 -6.630 -5.483 1.00 0.00 C ATOM 314 C GLN A 21 -4.082 -7.594 -6.651 1.00 0.00 C ATOM 315 O GLN A 21 -3.889 -8.794 -6.456 1.00 0.00 O ATOM 316 CB GLN A 21 -5.657 -6.009 -5.527 1.00 0.00 C ATOM 317 CG GLN A 21 -6.780 -7.027 -5.420 1.00 0.00 C ATOM 318 CD GLN A 21 -8.030 -6.453 -4.783 1.00 0.00 C ATOM 319 OE1 GLN A 21 -9.096 -6.422 -5.398 1.00 0.00 O ATOM 320 NE2 GLN A 21 -7.905 -5.994 -3.542 1.00 0.00 N ATOM 0 H GLN A 21 -3.615 -4.636 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.145 -7.189 -4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.751 -5.290 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.769 -5.454 -6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.023 -7.400 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.437 -7.880 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.002 -6.040 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.712 -5.596 -3.062 1.00 0.00 H new ATOM 329 N ARG A 22 -4.142 -7.058 -7.866 1.00 0.00 N ATOM 330 CA ARG A 22 -3.981 -7.867 -9.067 1.00 0.00 C ATOM 331 C ARG A 22 -2.723 -8.724 -8.980 1.00 0.00 C ATOM 332 O ARG A 22 -2.765 -9.933 -9.212 1.00 0.00 O ATOM 333 CB ARG A 22 -3.910 -6.969 -10.303 1.00 0.00 C ATOM 334 CG ARG A 22 -5.199 -6.216 -10.584 1.00 0.00 C ATOM 335 CD ARG A 22 -6.151 -7.039 -11.436 1.00 0.00 C ATOM 336 NE ARG A 22 -7.548 -6.792 -11.090 1.00 0.00 N ATOM 337 CZ ARG A 22 -8.554 -7.555 -11.503 1.00 0.00 C ATOM 338 NH1 ARG A 22 -8.317 -8.608 -12.273 1.00 0.00 N ATOM 339 NH2 ARG A 22 -9.799 -7.265 -11.147 1.00 0.00 N ATOM 0 H ARG A 22 -4.301 -6.066 -8.044 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.845 -8.526 -9.150 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.101 -6.251 -10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.659 -7.579 -11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.683 -5.957 -9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.971 -5.279 -11.093 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.991 -6.804 -12.488 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.928 -8.098 -11.309 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.763 -5.989 -10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.361 -8.833 -12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.090 -9.193 -12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.985 -6.455 -10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.570 -7.852 -11.465 1.00 0.00 H new ATOM 353 N ARG A 23 -1.605 -8.089 -8.648 1.00 0.00 N ATOM 354 CA ARG A 23 -0.332 -8.788 -8.535 1.00 0.00 C ATOM 355 C ARG A 23 -0.371 -9.832 -7.424 1.00 0.00 C ATOM 356 O ARG A 23 -0.245 -11.030 -7.679 1.00 0.00 O ATOM 357 CB ARG A 23 0.795 -7.803 -8.294 1.00 0.00 C ATOM 358 CG ARG A 23 1.633 -7.596 -9.535 1.00 0.00 C ATOM 359 CD ARG A 23 1.094 -6.460 -10.384 1.00 0.00 C ATOM 360 NE ARG A 23 1.848 -6.294 -11.623 1.00 0.00 N ATOM 361 CZ ARG A 23 1.659 -7.041 -12.706 1.00 0.00 C ATOM 362 NH1 ARG A 23 0.743 -8.001 -12.699 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.384 -6.829 -13.795 1.00 0.00 N ATOM 0 H ARG A 23 -1.555 -7.089 -8.452 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.150 -9.306 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.380 -6.848 -7.972 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.428 -8.166 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.663 -7.382 -9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.650 -8.514 -10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.047 -6.650 -10.620 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.129 -5.533 -9.812 1.00 0.00 H new ATOM 0 HE ARG A 23 2.560 -5.564 -11.660 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.184 -8.166 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.598 -8.574 -13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.089 -6.091 -13.803 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.237 -7.403 -14.625 1.00 0.00 H new ATOM 377 N VAL A 24 -0.550 -9.369 -6.190 1.00 0.00 N ATOM 378 CA VAL A 24 -0.613 -10.263 -5.040 1.00 0.00 C ATOM 379 C VAL A 24 -1.680 -11.336 -5.235 1.00 0.00 C ATOM 380 O VAL A 24 -1.607 -12.413 -4.644 1.00 0.00 O ATOM 381 CB VAL A 24 -0.910 -9.490 -3.741 1.00 0.00 C ATOM 382 CG1 VAL A 24 -0.864 -10.422 -2.540 1.00 0.00 C ATOM 383 CG2 VAL A 24 0.069 -8.338 -3.569 1.00 0.00 C ATOM 0 H VAL A 24 -0.654 -8.380 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 24 0.365 -10.737 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.916 -9.075 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.076 -9.857 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.609 -11.208 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.127 -10.870 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.156 -7.804 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.086 -8.728 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.020 -7.656 -4.414 1.00 0.00 H new ATOM 393 N ALA A 25 -2.673 -11.032 -6.066 1.00 0.00 N ATOM 394 CA ALA A 25 -3.756 -11.970 -6.336 1.00 0.00 C ATOM 395 C ALA A 25 -3.234 -13.229 -7.019 1.00 0.00 C ATOM 396 O ALA A 25 -3.487 -14.345 -6.563 1.00 0.00 O ATOM 397 CB ALA A 25 -4.826 -11.308 -7.190 1.00 0.00 C ATOM 0 H ALA A 25 -2.749 -10.145 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.197 -12.262 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.629 -12.020 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.228 -10.442 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.390 -10.987 -8.136 1.00 0.00 H new ATOM 403 N ASP A 26 -2.505 -13.044 -8.114 1.00 0.00 N ATOM 404 CA ASP A 26 -1.946 -14.167 -8.859 1.00 0.00 C ATOM 405 C ASP A 26 -0.747 -14.763 -8.127 1.00 0.00 C ATOM 406 O ASP A 26 -0.417 -15.935 -8.310 1.00 0.00 O ATOM 407 CB ASP A 26 -1.531 -13.720 -10.262 1.00 0.00 C ATOM 408 CG ASP A 26 -1.063 -14.878 -11.123 1.00 0.00 C ATOM 409 OD1 ASP A 26 -0.011 -15.468 -10.803 1.00 0.00 O ATOM 410 OD2 ASP A 26 -1.751 -15.191 -12.118 1.00 0.00 O ATOM 0 H ASP A 26 -2.287 -12.128 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.716 -14.934 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.373 -13.227 -10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.732 -12.983 -10.184 1.00 0.00 H new ATOM 415 N GLY A 27 -0.099 -13.949 -7.300 1.00 0.00 N ATOM 416 CA GLY A 27 1.054 -14.417 -6.553 1.00 0.00 C ATOM 417 C GLY A 27 2.323 -13.667 -6.910 1.00 0.00 C ATOM 418 O GLY A 27 3.427 -14.175 -6.713 1.00 0.00 O ATOM 0 H GLY A 27 -0.351 -12.975 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.860 -14.308 -5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.199 -15.480 -6.744 1.00 0.00 H new ATOM 422 N GLU A 28 2.167 -12.455 -7.434 1.00 0.00 N ATOM 423 CA GLU A 28 3.310 -11.637 -7.817 1.00 0.00 C ATOM 424 C GLU A 28 3.921 -10.952 -6.598 1.00 0.00 C ATOM 425 O GLU A 28 3.214 -10.595 -5.656 1.00 0.00 O ATOM 426 CB GLU A 28 2.890 -10.586 -8.845 1.00 0.00 C ATOM 427 CG GLU A 28 2.143 -11.167 -10.035 1.00 0.00 C ATOM 428 CD GLU A 28 2.542 -10.520 -11.346 1.00 0.00 C ATOM 429 OE1 GLU A 28 3.237 -9.482 -11.308 1.00 0.00 O ATOM 430 OE2 GLU A 28 2.161 -11.049 -12.410 1.00 0.00 O ATOM 0 H GLU A 28 1.260 -12.019 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 28 4.060 -12.292 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.259 -9.844 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.777 -10.064 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.333 -12.239 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.071 -11.041 -9.883 1.00 0.00 H new ATOM 437 N ASP A 29 5.236 -10.770 -6.627 1.00 0.00 N ATOM 438 CA ASP A 29 5.940 -10.118 -5.529 1.00 0.00 C ATOM 439 C ASP A 29 5.377 -8.720 -5.284 1.00 0.00 C ATOM 440 O ASP A 29 5.568 -7.818 -6.099 1.00 0.00 O ATOM 441 CB ASP A 29 7.434 -10.026 -5.844 1.00 0.00 C ATOM 442 CG ASP A 29 8.289 -10.736 -4.813 1.00 0.00 C ATOM 443 OD1 ASP A 29 7.751 -11.599 -4.088 1.00 0.00 O ATOM 444 OD2 ASP A 29 9.497 -10.428 -4.730 1.00 0.00 O ATOM 0 H ASP A 29 5.836 -11.064 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 29 5.799 -10.715 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.622 -10.458 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.727 -8.977 -5.895 1.00 0.00 H new ATOM 449 N PRO A 30 4.667 -8.515 -4.161 1.00 0.00 N ATOM 450 CA PRO A 30 4.088 -7.211 -3.831 1.00 0.00 C ATOM 451 C PRO A 30 5.152 -6.126 -3.749 1.00 0.00 C ATOM 452 O PRO A 30 4.962 -5.017 -4.248 1.00 0.00 O ATOM 453 CB PRO A 30 3.433 -7.426 -2.465 1.00 0.00 C ATOM 454 CG PRO A 30 3.266 -8.902 -2.337 1.00 0.00 C ATOM 455 CD PRO A 30 4.387 -9.522 -3.124 1.00 0.00 C ATOM 0 HA PRO A 30 3.384 -6.875 -4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.056 -7.030 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.472 -6.915 -2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.308 -9.209 -1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.297 -9.219 -2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.261 -9.711 -2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.093 -10.477 -3.559 1.00 0.00 H new ATOM 463 N LYS A 31 6.288 -6.458 -3.137 1.00 0.00 N ATOM 464 CA LYS A 31 7.393 -5.515 -3.009 1.00 0.00 C ATOM 465 C LYS A 31 7.682 -4.849 -4.351 1.00 0.00 C ATOM 466 O LYS A 31 7.885 -3.637 -4.426 1.00 0.00 O ATOM 467 CB LYS A 31 8.640 -6.226 -2.489 1.00 0.00 C ATOM 468 CG LYS A 31 9.118 -5.709 -1.141 1.00 0.00 C ATOM 469 CD LYS A 31 9.960 -6.745 -0.413 1.00 0.00 C ATOM 470 CE LYS A 31 10.833 -6.105 0.654 1.00 0.00 C ATOM 471 NZ LYS A 31 11.275 -7.091 1.676 1.00 0.00 N ATOM 0 H LYS A 31 6.465 -7.373 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 31 7.109 -4.743 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.432 -7.293 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.443 -6.113 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.702 -4.800 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.258 -5.441 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.308 -7.487 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.589 -7.273 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.707 -5.653 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.281 -5.301 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.868 -6.614 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.442 -7.504 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.824 -7.845 1.216 1.00 0.00 H new ATOM 485 N ASP A 32 7.659 -5.646 -5.413 1.00 0.00 N ATOM 486 CA ASP A 32 7.853 -5.123 -6.757 1.00 0.00 C ATOM 487 C ASP A 32 6.701 -4.193 -7.112 1.00 0.00 C ATOM 488 O ASP A 32 6.897 -3.141 -7.722 1.00 0.00 O ATOM 489 CB ASP A 32 7.942 -6.263 -7.770 1.00 0.00 C ATOM 490 CG ASP A 32 9.315 -6.371 -8.403 1.00 0.00 C ATOM 491 OD1 ASP A 32 9.977 -5.325 -8.565 1.00 0.00 O ATOM 492 OD2 ASP A 32 9.726 -7.502 -8.739 1.00 0.00 O ATOM 0 H ASP A 32 7.508 -6.654 -5.368 1.00 0.00 H new ATOM 0 HA ASP A 32 8.789 -4.566 -6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.698 -7.204 -7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.197 -6.110 -8.550 1.00 0.00 H new ATOM 497 N VAL A 33 5.498 -4.576 -6.691 1.00 0.00 N ATOM 498 CA VAL A 33 4.322 -3.754 -6.917 1.00 0.00 C ATOM 499 C VAL A 33 4.494 -2.403 -6.248 1.00 0.00 C ATOM 500 O VAL A 33 4.183 -1.371 -6.831 1.00 0.00 O ATOM 501 CB VAL A 33 3.039 -4.414 -6.378 1.00 0.00 C ATOM 502 CG1 VAL A 33 1.830 -3.540 -6.686 1.00 0.00 C ATOM 503 CG2 VAL A 33 2.864 -5.809 -6.956 1.00 0.00 C ATOM 0 H VAL A 33 5.317 -5.448 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 33 4.219 -3.635 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 33 3.127 -4.512 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.929 -4.017 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.956 -2.566 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.739 -3.411 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.951 -6.255 -6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.797 -5.747 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.719 -6.427 -6.680 1.00 0.00 H new ATOM 513 N LEU A 34 5.013 -2.416 -5.020 1.00 0.00 N ATOM 514 CA LEU A 34 5.247 -1.181 -4.279 1.00 0.00 C ATOM 515 C LEU A 34 6.009 -0.188 -5.142 1.00 0.00 C ATOM 516 O LEU A 34 5.693 1.002 -5.168 1.00 0.00 O ATOM 517 CB LEU A 34 6.028 -1.462 -2.995 1.00 0.00 C ATOM 518 CG LEU A 34 5.181 -1.928 -1.807 1.00 0.00 C ATOM 519 CD1 LEU A 34 4.453 -0.748 -1.181 1.00 0.00 C ATOM 520 CD2 LEU A 34 4.191 -2.997 -2.237 1.00 0.00 C ATOM 0 H LEU A 34 5.278 -3.265 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 34 4.281 -0.753 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.780 -2.222 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.562 -0.556 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 34 5.847 -2.362 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.855 -1.095 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.181 -0.015 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.801 -0.288 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.600 -3.313 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.529 -2.593 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.732 -3.853 -2.640 1.00 0.00 H new ATOM 532 N ASP A 35 6.993 -0.695 -5.874 1.00 0.00 N ATOM 533 CA ASP A 35 7.763 0.137 -6.780 1.00 0.00 C ATOM 534 C ASP A 35 6.835 0.762 -7.815 1.00 0.00 C ATOM 535 O ASP A 35 7.030 1.900 -8.241 1.00 0.00 O ATOM 536 CB ASP A 35 8.845 -0.691 -7.478 1.00 0.00 C ATOM 537 CG ASP A 35 9.871 0.174 -8.184 1.00 0.00 C ATOM 538 OD1 ASP A 35 10.691 0.809 -7.491 1.00 0.00 O ATOM 539 OD2 ASP A 35 9.853 0.215 -9.433 1.00 0.00 O ATOM 0 H ASP A 35 7.273 -1.676 -5.856 1.00 0.00 H new ATOM 0 HA ASP A 35 8.248 0.927 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.348 -1.320 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.377 -1.359 -8.202 1.00 0.00 H new ATOM 544 N ASP A 36 5.808 0.004 -8.192 1.00 0.00 N ATOM 545 CA ASP A 36 4.821 0.464 -9.165 1.00 0.00 C ATOM 546 C ASP A 36 3.763 1.340 -8.496 1.00 0.00 C ATOM 547 O ASP A 36 3.388 2.389 -9.018 1.00 0.00 O ATOM 548 CB ASP A 36 4.152 -0.737 -9.838 1.00 0.00 C ATOM 549 CG ASP A 36 4.307 -0.715 -11.345 1.00 0.00 C ATOM 550 OD1 ASP A 36 5.353 -0.233 -11.828 1.00 0.00 O ATOM 551 OD2 ASP A 36 3.384 -1.184 -12.044 1.00 0.00 O ATOM 0 H ASP A 36 5.637 -0.937 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 36 5.335 1.061 -9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.583 -1.657 -9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.092 -0.748 -9.585 1.00 0.00 H new ATOM 556 N LEU A 37 3.287 0.896 -7.335 1.00 0.00 N ATOM 557 CA LEU A 37 2.280 1.630 -6.574 1.00 0.00 C ATOM 558 C LEU A 37 2.649 3.107 -6.472 1.00 0.00 C ATOM 559 O LEU A 37 1.851 3.983 -6.802 1.00 0.00 O ATOM 560 CB LEU A 37 2.146 1.030 -5.172 1.00 0.00 C ATOM 561 CG LEU A 37 1.261 -0.215 -5.073 1.00 0.00 C ATOM 562 CD1 LEU A 37 1.924 -1.276 -4.208 1.00 0.00 C ATOM 563 CD2 LEU A 37 -0.106 0.142 -4.512 1.00 0.00 C ATOM 0 H LEU A 37 3.586 0.024 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 37 1.326 1.547 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.141 0.778 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.746 1.794 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 37 1.129 -0.618 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.279 -2.153 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.881 -1.558 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.087 -0.879 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.720 -0.757 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.010 0.572 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.590 0.867 -5.166 1.00 0.00 H new ATOM 575 N GLY A 38 3.871 3.371 -6.024 1.00 0.00 N ATOM 576 CA GLY A 38 4.339 4.738 -5.901 1.00 0.00 C ATOM 577 C GLY A 38 4.156 5.298 -4.504 1.00 0.00 C ATOM 578 O GLY A 38 3.525 6.339 -4.323 1.00 0.00 O ATOM 0 H GLY A 38 4.547 2.661 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.395 4.781 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.803 5.366 -6.612 1.00 0.00 H new ATOM 582 N LEU A 39 4.723 4.613 -3.516 1.00 0.00 N ATOM 583 CA LEU A 39 4.619 5.047 -2.127 1.00 0.00 C ATOM 584 C LEU A 39 6.000 5.325 -1.541 1.00 0.00 C ATOM 585 O LEU A 39 6.716 4.403 -1.151 1.00 0.00 O ATOM 586 CB LEU A 39 3.900 3.984 -1.291 1.00 0.00 C ATOM 587 CG LEU A 39 2.932 3.095 -2.071 1.00 0.00 C ATOM 588 CD1 LEU A 39 3.689 2.003 -2.808 1.00 0.00 C ATOM 589 CD2 LEU A 39 1.894 2.490 -1.143 1.00 0.00 C ATOM 0 H LEU A 39 5.259 3.756 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 39 4.040 5.970 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.648 3.350 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.350 4.482 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 39 2.415 3.713 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.984 1.379 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.394 2.456 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.233 1.389 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.215 1.861 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.392 1.887 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.329 3.287 -0.660 1.00 0.00 H new ATOM 601 N LYS A 40 6.368 6.600 -1.489 1.00 0.00 N ATOM 602 CA LYS A 40 7.666 7.001 -0.958 1.00 0.00 C ATOM 603 C LYS A 40 7.856 6.488 0.466 1.00 0.00 C ATOM 604 O LYS A 40 6.891 6.322 1.211 1.00 0.00 O ATOM 605 CB LYS A 40 7.803 8.524 -0.984 1.00 0.00 C ATOM 606 CG LYS A 40 8.636 9.041 -2.145 1.00 0.00 C ATOM 607 CD LYS A 40 7.760 9.453 -3.319 1.00 0.00 C ATOM 608 CE LYS A 40 7.252 10.876 -3.163 1.00 0.00 C ATOM 609 NZ LYS A 40 7.220 11.599 -4.464 1.00 0.00 N ATOM 0 H LYS A 40 5.786 7.374 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 40 8.438 6.561 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.809 8.969 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.254 8.856 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.231 9.893 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.335 8.269 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.328 9.368 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.914 8.770 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.251 10.859 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.891 11.415 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.868 12.566 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.179 11.638 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.590 11.099 -5.124 1.00 0.00 H new ATOM 623 N ARG A 41 9.109 6.244 0.838 1.00 0.00 N ATOM 624 CA ARG A 41 9.428 5.753 2.174 1.00 0.00 C ATOM 625 C ARG A 41 8.760 4.408 2.435 1.00 0.00 C ATOM 626 O ARG A 41 7.671 4.135 1.927 1.00 0.00 O ATOM 627 CB ARG A 41 8.986 6.766 3.232 1.00 0.00 C ATOM 628 CG ARG A 41 9.797 8.052 3.218 1.00 0.00 C ATOM 629 CD ARG A 41 9.420 8.960 4.377 1.00 0.00 C ATOM 630 NE ARG A 41 10.585 9.356 5.165 1.00 0.00 N ATOM 631 CZ ARG A 41 11.135 8.590 6.102 1.00 0.00 C ATOM 632 NH1 ARG A 41 10.628 7.395 6.366 1.00 0.00 N ATOM 633 NH2 ARG A 41 12.192 9.022 6.775 1.00 0.00 N ATOM 0 H ARG A 41 9.919 6.378 0.233 1.00 0.00 H new ATOM 0 HA ARG A 41 10.508 5.620 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.935 7.007 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.064 6.307 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.859 7.814 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.634 8.576 2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.923 9.851 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.704 8.448 5.020 1.00 0.00 H new ATOM 0 HE ARG A 41 10.999 10.271 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.814 7.061 5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.052 6.809 7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.583 9.942 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.614 8.434 7.494 1.00 0.00 H new ATOM 647 N TYR A 42 9.416 3.573 3.232 1.00 0.00 N ATOM 648 CA TYR A 42 8.883 2.257 3.564 1.00 0.00 C ATOM 649 C TYR A 42 7.915 2.333 4.741 1.00 0.00 C ATOM 650 O TYR A 42 7.131 1.411 4.966 1.00 0.00 O ATOM 651 CB TYR A 42 10.023 1.289 3.885 1.00 0.00 C ATOM 652 CG TYR A 42 10.685 1.546 5.220 1.00 0.00 C ATOM 653 CD1 TYR A 42 10.071 1.162 6.405 1.00 0.00 C ATOM 654 CD2 TYR A 42 11.921 2.175 5.295 1.00 0.00 C ATOM 655 CE1 TYR A 42 10.671 1.396 7.628 1.00 0.00 C ATOM 656 CE2 TYR A 42 12.528 2.412 6.513 1.00 0.00 C ATOM 657 CZ TYR A 42 11.900 2.021 7.676 1.00 0.00 C ATOM 658 OH TYR A 42 12.501 2.256 8.892 1.00 0.00 O ATOM 0 H TYR A 42 10.317 3.784 3.660 1.00 0.00 H new ATOM 0 HA TYR A 42 8.335 1.889 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.636 0.270 3.872 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.775 1.355 3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.109 0.673 6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 42 12.416 2.484 4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.181 1.091 8.541 1.00 0.00 H new ATOM 0 HE2 TYR A 42 13.490 2.901 6.554 1.00 0.00 H new ATOM 0 HH TYR A 42 13.362 2.703 8.751 1.00 0.00 H new ATOM 668 N CYS A 43 7.955 3.442 5.482 1.00 0.00 N ATOM 669 CA CYS A 43 7.065 3.632 6.626 1.00 0.00 C ATOM 670 C CYS A 43 5.633 3.246 6.265 1.00 0.00 C ATOM 671 O CYS A 43 4.877 2.761 7.106 1.00 0.00 O ATOM 672 CB CYS A 43 7.115 5.086 7.099 1.00 0.00 C ATOM 673 SG CYS A 43 6.835 6.301 5.791 1.00 0.00 S ATOM 0 H CYS A 43 8.593 4.219 5.310 1.00 0.00 H new ATOM 0 HA CYS A 43 7.403 2.985 7.435 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.366 5.229 7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.088 5.275 7.553 1.00 0.00 H new ATOM 678 N CYS A 44 5.280 3.449 5.001 1.00 0.00 N ATOM 679 CA CYS A 44 3.956 3.095 4.508 1.00 0.00 C ATOM 680 C CYS A 44 3.932 1.643 4.049 1.00 0.00 C ATOM 681 O CYS A 44 3.197 0.821 4.596 1.00 0.00 O ATOM 682 CB CYS A 44 3.549 4.014 3.350 1.00 0.00 C ATOM 683 SG CYS A 44 4.147 5.714 3.497 1.00 0.00 S ATOM 0 H CYS A 44 5.895 3.858 4.298 1.00 0.00 H new ATOM 0 HA CYS A 44 3.243 3.221 5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.922 3.590 2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.461 4.029 3.280 1.00 0.00 H new ATOM 688 N ARG A 45 4.761 1.327 3.057 1.00 0.00 N ATOM 689 CA ARG A 45 4.835 -0.026 2.511 1.00 0.00 C ATOM 690 C ARG A 45 4.853 -1.078 3.615 1.00 0.00 C ATOM 691 O ARG A 45 4.070 -2.023 3.586 1.00 0.00 O ATOM 692 CB ARG A 45 6.081 -0.182 1.638 1.00 0.00 C ATOM 693 CG ARG A 45 6.288 0.962 0.661 1.00 0.00 C ATOM 694 CD ARG A 45 7.302 0.599 -0.412 1.00 0.00 C ATOM 695 NE ARG A 45 8.567 1.303 -0.229 1.00 0.00 N ATOM 696 CZ ARG A 45 9.609 1.169 -1.042 1.00 0.00 C ATOM 697 NH1 ARG A 45 9.535 0.361 -2.092 1.00 0.00 N ATOM 698 NH2 ARG A 45 10.727 1.844 -0.808 1.00 0.00 N ATOM 0 H ARG A 45 5.394 1.993 2.613 1.00 0.00 H new ATOM 0 HA ARG A 45 3.942 -0.181 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.957 -0.262 2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.009 -1.116 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.338 1.219 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.628 1.846 1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.480 -0.476 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.893 0.838 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 45 8.656 1.933 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.677 -0.159 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.336 0.260 -2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.787 2.467 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.526 1.740 -1.433 1.00 0.00 H new ATOM 712 N ARG A 46 5.746 -0.907 4.590 1.00 0.00 N ATOM 713 CA ARG A 46 5.869 -1.856 5.698 1.00 0.00 C ATOM 714 C ARG A 46 4.502 -2.297 6.209 1.00 0.00 C ATOM 715 O ARG A 46 4.269 -3.481 6.451 1.00 0.00 O ATOM 716 CB ARG A 46 6.666 -1.238 6.846 1.00 0.00 C ATOM 717 CG ARG A 46 5.952 -0.087 7.535 1.00 0.00 C ATOM 718 CD ARG A 46 6.873 0.637 8.503 1.00 0.00 C ATOM 719 NE ARG A 46 6.162 1.634 9.298 1.00 0.00 N ATOM 720 CZ ARG A 46 6.711 2.289 10.316 1.00 0.00 C ATOM 721 NH1 ARG A 46 7.969 2.052 10.660 1.00 0.00 N ATOM 722 NH2 ARG A 46 6.003 3.183 10.994 1.00 0.00 N ATOM 0 H ARG A 46 6.395 -0.121 4.636 1.00 0.00 H new ATOM 0 HA ARG A 46 6.396 -2.732 5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.885 -2.011 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.623 -0.883 6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.584 0.615 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.082 -0.466 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.342 -0.089 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.674 1.123 7.946 1.00 0.00 H new ATOM 0 HE ARG A 46 5.192 1.839 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.518 1.365 10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.388 2.556 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.034 3.369 10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.427 3.684 11.775 1.00 0.00 H new ATOM 736 N MET A 47 3.602 -1.336 6.364 1.00 0.00 N ATOM 737 CA MET A 47 2.256 -1.625 6.831 1.00 0.00 C ATOM 738 C MET A 47 1.391 -2.141 5.686 1.00 0.00 C ATOM 739 O MET A 47 0.429 -2.878 5.902 1.00 0.00 O ATOM 740 CB MET A 47 1.618 -0.372 7.429 1.00 0.00 C ATOM 741 CG MET A 47 2.245 0.069 8.741 1.00 0.00 C ATOM 742 SD MET A 47 2.420 1.861 8.859 1.00 0.00 S ATOM 743 CE MET A 47 0.952 2.409 7.991 1.00 0.00 C ATOM 0 H MET A 47 3.781 -0.350 6.173 1.00 0.00 H new ATOM 0 HA MET A 47 2.323 -2.394 7.600 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.695 0.442 6.709 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.556 -0.557 7.589 1.00 0.00 H new ATOM 0 HG2 MET A 47 1.633 -0.288 9.570 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.225 -0.396 8.845 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.715 3.431 8.286 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.130 2.374 6.916 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.116 1.756 8.241 1.00 0.00 H new ATOM 753 N LEU A 48 1.738 -1.736 4.470 1.00 0.00 N ATOM 754 CA LEU A 48 0.988 -2.129 3.286 1.00 0.00 C ATOM 755 C LEU A 48 1.376 -3.528 2.813 1.00 0.00 C ATOM 756 O LEU A 48 0.585 -4.466 2.910 1.00 0.00 O ATOM 757 CB LEU A 48 1.214 -1.124 2.158 1.00 0.00 C ATOM 758 CG LEU A 48 0.979 0.334 2.544 1.00 0.00 C ATOM 759 CD1 LEU A 48 1.753 1.263 1.623 1.00 0.00 C ATOM 760 CD2 LEU A 48 -0.502 0.664 2.505 1.00 0.00 C ATOM 0 H LEU A 48 2.538 -1.133 4.279 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.068 -2.142 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.237 -1.229 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.554 -1.376 1.328 1.00 0.00 H new ATOM 0 HG LEU A 48 1.339 0.480 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.572 2.298 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.818 1.045 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.424 1.113 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.650 1.708 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.885 0.499 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.036 0.023 3.206 1.00 0.00 H new ATOM 772 N ILE A 49 2.593 -3.661 2.286 1.00 0.00 N ATOM 773 CA ILE A 49 3.070 -4.947 1.767 1.00 0.00 C ATOM 774 C ILE A 49 2.685 -6.102 2.687 1.00 0.00 C ATOM 775 O ILE A 49 2.476 -7.228 2.235 1.00 0.00 O ATOM 776 CB ILE A 49 4.598 -4.965 1.564 1.00 0.00 C ATOM 777 CG1 ILE A 49 5.301 -4.204 2.686 1.00 0.00 C ATOM 778 CG2 ILE A 49 4.962 -4.373 0.212 1.00 0.00 C ATOM 779 CD1 ILE A 49 6.570 -4.871 3.167 1.00 0.00 C ATOM 0 H ILE A 49 3.266 -2.898 2.206 1.00 0.00 H new ATOM 0 HA ILE A 49 2.585 -5.074 0.799 1.00 0.00 H new ATOM 0 HB ILE A 49 4.934 -6.002 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.538 -3.198 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.615 -4.097 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.044 -4.394 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.493 -4.958 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.610 -3.343 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.015 -4.275 3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.337 -5.866 3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.274 -4.953 2.339 1.00 0.00 H new ATOM 791 N SER A 50 2.580 -5.810 3.977 1.00 0.00 N ATOM 792 CA SER A 50 2.218 -6.821 4.960 1.00 0.00 C ATOM 793 C SER A 50 0.705 -7.001 5.035 1.00 0.00 C ATOM 794 O SER A 50 0.158 -7.976 4.520 1.00 0.00 O ATOM 795 CB SER A 50 2.762 -6.438 6.338 1.00 0.00 C ATOM 796 OG SER A 50 4.173 -6.552 6.381 1.00 0.00 O ATOM 0 H SER A 50 2.741 -4.881 4.366 1.00 0.00 H new ATOM 0 HA SER A 50 2.661 -7.766 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.470 -5.415 6.576 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.319 -7.081 7.098 1.00 0.00 H new ATOM 0 HG SER A 50 4.573 -5.658 6.412 1.00 0.00 H new ATOM 802 N HIS A 51 0.036 -6.063 5.699 1.00 0.00 N ATOM 803 CA HIS A 51 -1.410 -6.132 5.874 1.00 0.00 C ATOM 804 C HIS A 51 -2.161 -5.479 4.713 1.00 0.00 C ATOM 805 O HIS A 51 -2.727 -6.172 3.870 1.00 0.00 O ATOM 806 CB HIS A 51 -1.809 -5.461 7.190 1.00 0.00 C ATOM 807 CG HIS A 51 -3.287 -5.412 7.416 1.00 0.00 C ATOM 808 ND1 HIS A 51 -4.015 -6.556 7.645 1.00 0.00 N ATOM 809 CD2 HIS A 51 -4.121 -4.344 7.436 1.00 0.00 C ATOM 810 CE1 HIS A 51 -5.267 -6.163 7.799 1.00 0.00 C ATOM 811 NE2 HIS A 51 -5.378 -4.832 7.681 1.00 0.00 N ATOM 0 H HIS A 51 0.473 -5.246 6.125 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.687 -7.186 5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.341 -5.996 8.017 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.414 -4.445 7.204 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.848 -3.310 7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.095 -6.828 7.995 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.236 -4.286 7.759 1.00 0.00 H new ATOM 819 N VAL A 52 -2.192 -4.143 4.720 1.00 0.00 N ATOM 820 CA VAL A 52 -2.894 -3.342 3.715 1.00 0.00 C ATOM 821 C VAL A 52 -4.365 -3.740 3.579 1.00 0.00 C ATOM 822 O VAL A 52 -4.710 -4.919 3.542 1.00 0.00 O ATOM 823 CB VAL A 52 -2.208 -3.388 2.335 1.00 0.00 C ATOM 824 CG1 VAL A 52 -2.390 -4.737 1.664 1.00 0.00 C ATOM 825 CG2 VAL A 52 -2.730 -2.264 1.456 1.00 0.00 C ATOM 0 H VAL A 52 -1.725 -3.582 5.432 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.848 -2.316 4.080 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.137 -3.247 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.893 -4.731 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.955 -5.516 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.453 -4.934 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.239 -2.305 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.806 -2.375 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.519 -1.305 1.929 1.00 0.00 H new ATOM 835 N GLU A 53 -5.233 -2.737 3.513 1.00 0.00 N ATOM 836 CA GLU A 53 -6.666 -2.975 3.385 1.00 0.00 C ATOM 837 C GLU A 53 -7.045 -3.242 1.933 1.00 0.00 C ATOM 838 O GLU A 53 -6.840 -2.397 1.061 1.00 0.00 O ATOM 839 CB GLU A 53 -7.452 -1.775 3.917 1.00 0.00 C ATOM 840 CG GLU A 53 -8.553 -2.153 4.891 1.00 0.00 C ATOM 841 CD GLU A 53 -9.621 -1.084 5.009 1.00 0.00 C ATOM 842 OE1 GLU A 53 -10.483 -1.004 4.109 1.00 0.00 O ATOM 843 OE2 GLU A 53 -9.596 -0.326 6.002 1.00 0.00 O ATOM 0 H GLU A 53 -4.970 -1.752 3.546 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.917 -3.856 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.763 -1.089 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.891 -1.237 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.013 -3.087 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.117 -2.335 5.873 1.00 0.00 H new ATOM 850 N THR A 54 -7.595 -4.423 1.679 1.00 0.00 N ATOM 851 CA THR A 54 -8.009 -4.800 0.334 1.00 0.00 C ATOM 852 C THR A 54 -9.454 -5.285 0.323 1.00 0.00 C ATOM 853 O THR A 54 -9.854 -6.056 -0.549 1.00 0.00 O ATOM 854 CB THR A 54 -7.101 -5.902 -0.245 1.00 0.00 C ATOM 855 OG1 THR A 54 -6.796 -6.868 0.768 1.00 0.00 O ATOM 856 CG2 THR A 54 -5.812 -5.309 -0.793 1.00 0.00 C ATOM 0 H THR A 54 -7.765 -5.137 2.388 1.00 0.00 H new ATOM 0 HA THR A 54 -7.923 -3.909 -0.288 1.00 0.00 H new ATOM 0 HB THR A 54 -7.634 -6.389 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.220 -7.566 0.392 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.187 -6.106 -1.196 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.047 -4.597 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.277 -4.799 0.008 1.00 0.00 H new ATOM 864 N TRP A 55 -10.233 -4.827 1.297 1.00 0.00 N ATOM 865 CA TRP A 55 -11.634 -5.213 1.404 1.00 0.00 C ATOM 866 C TRP A 55 -12.520 -4.281 0.585 1.00 0.00 C ATOM 867 O TRP A 55 -12.927 -3.229 1.122 1.00 0.00 O ATOM 868 CB TRP A 55 -12.075 -5.197 2.869 1.00 0.00 C ATOM 869 CG TRP A 55 -13.403 -5.850 3.098 1.00 0.00 C ATOM 870 CD1 TRP A 55 -14.630 -5.253 3.046 1.00 0.00 C ATOM 871 CD2 TRP A 55 -13.638 -7.226 3.413 1.00 0.00 C ATOM 872 NE1 TRP A 55 -15.614 -6.175 3.310 1.00 0.00 N ATOM 873 CE2 TRP A 55 -15.031 -7.394 3.539 1.00 0.00 C ATOM 874 CE3 TRP A 55 -12.807 -8.335 3.602 1.00 0.00 C ATOM 875 CZ2 TRP A 55 -15.608 -8.623 3.845 1.00 0.00 C ATOM 876 CZ3 TRP A 55 -13.383 -9.554 3.906 1.00 0.00 C ATOM 877 CH2 TRP A 55 -14.771 -9.690 4.025 1.00 0.00 C ATOM 878 OXT TRP A 55 -12.803 -4.611 -0.586 1.00 0.00 O ATOM 0 H TRP A 55 -9.916 -4.187 2.025 1.00 0.00 H new ATOM 0 HA TRP A 55 -11.739 -6.223 1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -11.321 -5.702 3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.122 -4.165 3.215 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -14.802 -4.209 2.829 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -16.616 -5.983 3.332 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -11.735 -8.241 3.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -16.679 -8.731 3.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -12.751 -10.417 4.054 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -15.190 -10.657 4.264 1.00 0.00 H new TER 889 TRP A 55 HETATM 890 ZN ZN A 56 5.068 7.365 4.886 1.00 0.00 ZN