USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -172:sc= 0.451 (180deg=0.358) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -1.1 (180deg=-2.43!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -4.27 K(o=-4.3,f=-9.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00155 X(o=-0.0016,f=-0.072) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.529 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -6.24! K(o=-6.2!,f=-3.2) USER MOD Single : A 42 ASN : amide:sc= -3.3 K(o=-3.3,f=-2.4) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= -0.089 (180deg=-0.104) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.0468) USER MOD Single : A 52 THR OG1 : rot 80:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.132 16.100 5.894 1.00 0.00 N ATOM 2 CA ASP A 1 -7.685 14.852 5.300 1.00 0.00 C ATOM 3 C ASP A 1 -6.610 14.072 4.540 1.00 0.00 C ATOM 4 O ASP A 1 -5.752 14.667 3.882 1.00 0.00 O ATOM 5 CB ASP A 1 -8.869 15.213 4.373 1.00 0.00 C ATOM 6 CG ASP A 1 -8.536 16.221 3.268 1.00 0.00 C ATOM 7 OD1 ASP A 1 -7.369 16.667 3.184 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.451 16.561 2.488 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.845 16.536 6.513 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.283 15.873 6.450 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.881 16.764 5.134 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.040 14.205 6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.242 14.299 3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.679 15.616 4.981 1.00 0.00 H new ATOM 15 N PHE A 2 -6.674 12.740 4.641 1.00 0.00 N ATOM 16 CA PHE A 2 -5.715 11.859 3.970 1.00 0.00 C ATOM 17 C PHE A 2 -6.427 10.839 3.067 1.00 0.00 C ATOM 18 O PHE A 2 -7.660 10.770 3.054 1.00 0.00 O ATOM 19 CB PHE A 2 -4.803 11.147 5.009 1.00 0.00 C ATOM 20 CG PHE A 2 -5.504 10.448 6.167 1.00 0.00 C ATOM 21 CD1 PHE A 2 -6.528 9.526 5.957 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.117 10.713 7.474 1.00 0.00 C ATOM 23 CE1 PHE A 2 -7.146 8.895 7.018 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.735 10.081 8.538 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.750 9.172 8.309 1.00 0.00 C ATOM 0 H PHE A 2 -7.384 12.248 5.184 1.00 0.00 H new ATOM 0 HA PHE A 2 -5.084 12.476 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.198 10.409 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.117 11.886 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.843 9.302 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.324 11.421 7.662 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.939 8.185 6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.424 10.298 9.549 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.232 8.679 9.140 1.00 0.00 H new ATOM 35 N CYS A 3 -5.626 10.043 2.318 1.00 0.00 N ATOM 36 CA CYS A 3 -6.117 8.986 1.391 1.00 0.00 C ATOM 37 C CYS A 3 -6.804 9.551 0.139 1.00 0.00 C ATOM 38 O CYS A 3 -7.005 8.821 -0.837 1.00 0.00 O ATOM 39 CB CYS A 3 -7.078 8.013 2.091 1.00 0.00 C ATOM 40 SG CYS A 3 -7.379 6.471 1.166 1.00 0.00 S ATOM 0 H CYS A 3 -4.609 10.115 2.338 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.222 8.451 1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.674 7.763 3.072 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.030 8.516 2.257 1.00 0.00 H new ATOM 45 N LEU A 4 -7.169 10.841 0.171 1.00 0.00 N ATOM 46 CA LEU A 4 -7.843 11.489 -0.958 1.00 0.00 C ATOM 47 C LEU A 4 -6.858 11.885 -2.065 1.00 0.00 C ATOM 48 O LEU A 4 -7.268 12.181 -3.191 1.00 0.00 O ATOM 49 CB LEU A 4 -8.619 12.732 -0.478 1.00 0.00 C ATOM 50 CG LEU A 4 -10.098 12.849 -0.925 1.00 0.00 C ATOM 51 CD1 LEU A 4 -10.243 12.703 -2.435 1.00 0.00 C ATOM 52 CD2 LEU A 4 -10.975 11.826 -0.209 1.00 0.00 C ATOM 0 H LEU A 4 -7.007 11.455 0.969 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.541 10.764 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.591 12.750 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.088 13.619 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.436 13.848 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.294 12.791 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.671 13.486 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.867 11.727 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.007 11.933 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.622 10.820 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.924 11.992 0.867 1.00 0.00 H new ATOM 64 N GLU A 5 -5.563 11.867 -1.734 1.00 0.00 N ATOM 65 CA GLU A 5 -4.504 12.203 -2.685 1.00 0.00 C ATOM 66 C GLU A 5 -3.860 10.922 -3.236 1.00 0.00 C ATOM 67 O GLU A 5 -3.914 9.880 -2.574 1.00 0.00 O ATOM 68 CB GLU A 5 -3.437 13.083 -2.021 1.00 0.00 C ATOM 69 CG GLU A 5 -3.928 14.481 -1.642 1.00 0.00 C ATOM 70 CD GLU A 5 -2.862 15.350 -0.982 1.00 0.00 C ATOM 71 OE1 GLU A 5 -1.714 14.883 -0.802 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.181 16.509 -0.641 1.00 0.00 O ATOM 0 H GLU A 5 -5.223 11.620 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.949 12.761 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.075 12.581 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.588 13.179 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.290 14.984 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.777 14.387 -0.965 1.00 0.00 H new ATOM 79 N PRO A 6 -3.234 10.961 -4.458 1.00 0.00 N ATOM 80 CA PRO A 6 -2.586 9.773 -5.068 1.00 0.00 C ATOM 81 C PRO A 6 -1.497 9.157 -4.167 1.00 0.00 C ATOM 82 O PRO A 6 -1.066 9.802 -3.206 1.00 0.00 O ATOM 83 CB PRO A 6 -1.960 10.326 -6.354 1.00 0.00 C ATOM 84 CG PRO A 6 -2.746 11.550 -6.667 1.00 0.00 C ATOM 85 CD PRO A 6 -3.111 12.147 -5.340 1.00 0.00 C ATOM 0 HA PRO A 6 -3.302 8.968 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.905 10.560 -6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.019 9.601 -7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.161 12.250 -7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.637 11.306 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.345 12.836 -4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.044 12.708 -5.394 1.00 0.00 H new ATOM 93 N PRO A 7 -1.029 7.895 -4.451 1.00 0.00 N ATOM 94 CA PRO A 7 0.012 7.213 -3.647 1.00 0.00 C ATOM 95 C PRO A 7 1.301 8.030 -3.512 1.00 0.00 C ATOM 96 O PRO A 7 1.792 8.589 -4.498 1.00 0.00 O ATOM 97 CB PRO A 7 0.259 5.918 -4.441 1.00 0.00 C ATOM 98 CG PRO A 7 -0.231 6.213 -5.805 1.00 0.00 C ATOM 99 CD PRO A 7 -1.459 7.016 -5.559 1.00 0.00 C ATOM 0 HA PRO A 7 -0.306 7.052 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.317 5.654 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.276 5.076 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.505 6.770 -6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.451 5.301 -6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.759 7.585 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.307 6.391 -5.279 1.00 0.00 H new ATOM 107 N TYR A 8 1.826 8.104 -2.283 1.00 0.00 N ATOM 108 CA TYR A 8 3.044 8.868 -2.007 1.00 0.00 C ATOM 109 C TYR A 8 4.321 8.027 -2.235 1.00 0.00 C ATOM 110 O TYR A 8 5.392 8.346 -1.702 1.00 0.00 O ATOM 111 CB TYR A 8 2.988 9.461 -0.577 1.00 0.00 C ATOM 112 CG TYR A 8 4.105 10.450 -0.236 1.00 0.00 C ATOM 113 CD1 TYR A 8 4.735 11.212 -1.223 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.536 10.602 1.075 1.00 0.00 C ATOM 115 CE1 TYR A 8 5.750 12.090 -0.913 1.00 0.00 C ATOM 116 CE2 TYR A 8 5.555 11.483 1.394 1.00 0.00 C ATOM 117 CZ TYR A 8 6.158 12.223 0.398 1.00 0.00 C ATOM 118 OH TYR A 8 7.172 13.098 0.714 1.00 0.00 O ATOM 0 H TYR A 8 1.425 7.644 -1.466 1.00 0.00 H new ATOM 0 HA TYR A 8 3.095 9.694 -2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.029 9.962 -0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.020 8.641 0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.419 11.110 -2.251 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.069 10.024 1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.223 12.670 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.877 11.591 2.419 1.00 0.00 H new ATOM 0 HH TYR A 8 7.337 13.073 1.680 1.00 0.00 H new ATOM 128 N THR A 9 4.200 6.960 -3.049 1.00 0.00 N ATOM 129 CA THR A 9 5.332 6.067 -3.384 1.00 0.00 C ATOM 130 C THR A 9 6.565 6.875 -3.853 1.00 0.00 C ATOM 131 O THR A 9 7.705 6.473 -3.601 1.00 0.00 O ATOM 132 CB THR A 9 4.895 5.067 -4.475 1.00 0.00 C ATOM 133 OG1 THR A 9 3.671 4.450 -4.120 1.00 0.00 O ATOM 134 CG2 THR A 9 5.892 3.948 -4.741 1.00 0.00 C ATOM 0 H THR A 9 3.321 6.692 -3.492 1.00 0.00 H new ATOM 0 HA THR A 9 5.619 5.520 -2.486 1.00 0.00 H new ATOM 0 HB THR A 9 4.810 5.670 -5.379 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.406 3.820 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.504 3.293 -5.521 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.841 4.376 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.046 3.373 -3.828 1.00 0.00 H new ATOM 142 N GLY A 10 6.294 8.031 -4.500 1.00 0.00 N ATOM 143 CA GLY A 10 7.338 8.947 -4.989 1.00 0.00 C ATOM 144 C GLY A 10 8.574 8.239 -5.556 1.00 0.00 C ATOM 145 O GLY A 10 8.426 7.287 -6.328 1.00 0.00 O ATOM 0 H GLY A 10 5.345 8.351 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.912 9.587 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.648 9.598 -4.171 1.00 0.00 H new ATOM 149 N PRO A 11 9.813 8.668 -5.172 1.00 0.00 N ATOM 150 CA PRO A 11 11.058 8.043 -5.639 1.00 0.00 C ATOM 151 C PRO A 11 11.437 6.795 -4.816 1.00 0.00 C ATOM 152 O PRO A 11 12.497 6.197 -5.033 1.00 0.00 O ATOM 153 CB PRO A 11 12.113 9.149 -5.448 1.00 0.00 C ATOM 154 CG PRO A 11 11.409 10.308 -4.803 1.00 0.00 C ATOM 155 CD PRO A 11 10.114 9.779 -4.254 1.00 0.00 C ATOM 0 HA PRO A 11 10.970 7.691 -6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.934 8.798 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.545 9.442 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.019 10.737 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.226 11.101 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.218 9.438 -3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.330 10.536 -4.261 1.00 0.00 H new ATOM 163 N CYS A 12 10.557 6.421 -3.873 1.00 0.00 N ATOM 164 CA CYS A 12 10.774 5.261 -3.002 1.00 0.00 C ATOM 165 C CYS A 12 10.034 4.043 -3.553 1.00 0.00 C ATOM 166 O CYS A 12 8.914 4.170 -4.056 1.00 0.00 O ATOM 167 CB CYS A 12 10.290 5.569 -1.579 1.00 0.00 C ATOM 168 SG CYS A 12 10.546 7.296 -1.054 1.00 0.00 S ATOM 0 H CYS A 12 9.681 6.913 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 12 11.841 5.042 -2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.228 5.335 -1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.807 4.910 -0.882 1.00 0.00 H new ATOM 173 N LYS A 13 10.670 2.865 -3.458 1.00 0.00 N ATOM 174 CA LYS A 13 10.089 1.608 -3.945 1.00 0.00 C ATOM 175 C LYS A 13 10.565 0.433 -3.090 1.00 0.00 C ATOM 176 O LYS A 13 11.552 -0.241 -3.416 1.00 0.00 O ATOM 177 CB LYS A 13 10.443 1.362 -5.436 1.00 0.00 C ATOM 178 CG LYS A 13 9.805 2.347 -6.429 1.00 0.00 C ATOM 179 CD LYS A 13 8.288 2.162 -6.577 1.00 0.00 C ATOM 180 CE LYS A 13 7.917 1.041 -7.551 1.00 0.00 C ATOM 181 NZ LYS A 13 8.278 -0.309 -7.030 1.00 0.00 N ATOM 0 H LYS A 13 11.596 2.759 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 13 9.005 1.690 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.526 1.407 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.137 0.351 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.010 3.366 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.276 2.225 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.856 1.945 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.845 3.097 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.846 1.076 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.423 1.208 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.593 -1.010 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.232 -0.564 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.261 -0.296 -5.990 1.00 0.00 H new ATOM 195 N ALA A 14 9.851 0.195 -1.987 1.00 0.00 N ATOM 196 CA ALA A 14 10.169 -0.895 -1.060 1.00 0.00 C ATOM 197 C ALA A 14 9.406 -2.180 -1.436 1.00 0.00 C ATOM 198 O ALA A 14 8.781 -2.242 -2.500 1.00 0.00 O ATOM 199 CB ALA A 14 9.852 -0.458 0.368 1.00 0.00 C ATOM 0 H ALA A 14 9.040 0.749 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 14 11.233 -1.122 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.088 -1.268 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.448 0.419 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.793 -0.212 0.447 1.00 0.00 H new ATOM 205 N ARG A 15 9.470 -3.201 -0.565 1.00 0.00 N ATOM 206 CA ARG A 15 8.794 -4.483 -0.811 1.00 0.00 C ATOM 207 C ARG A 15 7.586 -4.689 0.125 1.00 0.00 C ATOM 208 O ARG A 15 7.292 -5.812 0.553 1.00 0.00 O ATOM 209 CB ARG A 15 9.799 -5.655 -0.700 1.00 0.00 C ATOM 210 CG ARG A 15 10.628 -5.680 0.591 1.00 0.00 C ATOM 211 CD ARG A 15 10.514 -7.014 1.316 1.00 0.00 C ATOM 212 NE ARG A 15 9.200 -7.196 1.948 1.00 0.00 N ATOM 213 CZ ARG A 15 8.823 -8.288 2.627 1.00 0.00 C ATOM 214 NH1 ARG A 15 9.646 -9.326 2.776 1.00 0.00 N ATOM 215 NH2 ARG A 15 7.610 -8.341 3.162 1.00 0.00 N ATOM 0 H ARG A 15 9.983 -3.162 0.315 1.00 0.00 H new ATOM 0 HA ARG A 15 8.402 -4.461 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.250 -6.593 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.480 -5.611 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.674 -5.484 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.295 -4.879 1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.690 -7.825 0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.292 -7.079 2.076 1.00 0.00 H new ATOM 0 HE ARG A 15 8.526 -6.436 1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.581 -9.298 2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.341 -10.148 3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.971 -7.553 3.055 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.317 -9.169 3.680 1.00 0.00 H new ATOM 229 N ILE A 16 6.886 -3.593 0.422 1.00 0.00 N ATOM 230 CA ILE A 16 5.704 -3.627 1.296 1.00 0.00 C ATOM 231 C ILE A 16 4.576 -2.785 0.671 1.00 0.00 C ATOM 232 O ILE A 16 4.525 -1.567 0.856 1.00 0.00 O ATOM 233 CB ILE A 16 6.027 -3.115 2.744 1.00 0.00 C ATOM 234 CG1 ILE A 16 7.257 -3.844 3.332 1.00 0.00 C ATOM 235 CG2 ILE A 16 4.816 -3.305 3.669 1.00 0.00 C ATOM 236 CD1 ILE A 16 7.986 -3.069 4.419 1.00 0.00 C ATOM 0 H ILE A 16 7.116 -2.664 0.070 1.00 0.00 H new ATOM 0 HA ILE A 16 5.383 -4.665 1.386 1.00 0.00 H new ATOM 0 HB ILE A 16 6.256 -2.052 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.936 -4.803 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.957 -4.059 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.061 -2.944 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.968 -2.743 3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.559 -4.363 3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.835 -3.653 4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.342 -2.122 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.305 -2.876 5.248 1.00 0.00 H new ATOM 248 N ILE A 17 3.680 -3.451 -0.067 1.00 0.00 N ATOM 249 CA ILE A 17 2.544 -2.792 -0.734 1.00 0.00 C ATOM 250 C ILE A 17 1.306 -2.852 0.160 1.00 0.00 C ATOM 251 O ILE A 17 1.023 -3.862 0.810 1.00 0.00 O ATOM 252 CB ILE A 17 2.242 -3.451 -2.129 1.00 0.00 C ATOM 253 CG1 ILE A 17 3.454 -3.351 -3.077 1.00 0.00 C ATOM 254 CG2 ILE A 17 1.021 -2.831 -2.811 1.00 0.00 C ATOM 255 CD1 ILE A 17 4.484 -4.452 -2.895 1.00 0.00 C ATOM 0 H ILE A 17 3.719 -4.459 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 17 2.810 -1.749 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 17 2.030 -4.500 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.097 -3.370 -4.107 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.940 -2.387 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.853 -3.320 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.144 -2.964 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.195 -1.767 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.302 -4.305 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.873 -4.422 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.017 -5.420 -3.076 1.00 0.00 H new ATOM 267 N ARG A 18 0.607 -1.732 0.167 1.00 0.00 N ATOM 268 CA ARG A 18 -0.600 -1.519 0.938 1.00 0.00 C ATOM 269 C ARG A 18 -1.721 -1.013 0.011 1.00 0.00 C ATOM 270 O ARG A 18 -1.696 -1.321 -1.179 1.00 0.00 O ATOM 271 CB ARG A 18 -0.254 -0.525 2.041 1.00 0.00 C ATOM 272 CG ARG A 18 -0.061 -1.176 3.403 1.00 0.00 C ATOM 273 CD ARG A 18 0.265 -0.150 4.475 1.00 0.00 C ATOM 274 NE ARG A 18 0.451 -0.771 5.791 1.00 0.00 N ATOM 275 CZ ARG A 18 0.746 -0.103 6.915 1.00 0.00 C ATOM 276 NH1 ARG A 18 0.896 1.220 6.913 1.00 0.00 N ATOM 277 NH2 ARG A 18 0.893 -0.770 8.053 1.00 0.00 N ATOM 0 H ARG A 18 0.876 -0.917 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.967 -2.439 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.658 0.006 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.047 0.219 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.966 -1.716 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.743 -1.910 3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.171 0.389 4.197 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.539 0.584 4.531 1.00 0.00 H new ATOM 0 HE ARG A 18 0.348 -1.784 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.786 1.744 6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.120 1.709 7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.781 -1.784 8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.118 -0.269 8.913 1.00 0.00 H new ATOM 291 N TYR A 19 -2.699 -0.258 0.540 1.00 0.00 N ATOM 292 CA TYR A 19 -3.811 0.255 -0.276 1.00 0.00 C ATOM 293 C TYR A 19 -3.823 1.782 -0.344 1.00 0.00 C ATOM 294 O TYR A 19 -3.139 2.452 0.444 1.00 0.00 O ATOM 295 CB TYR A 19 -5.162 -0.265 0.248 1.00 0.00 C ATOM 296 CG TYR A 19 -5.448 -1.727 -0.057 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.522 -2.725 0.231 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.659 -2.104 -0.623 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.792 -4.053 -0.038 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.939 -3.431 -0.894 1.00 0.00 C ATOM 301 CZ TYR A 19 -6.003 -4.400 -0.600 1.00 0.00 C ATOM 302 OH TYR A 19 -6.278 -5.721 -0.869 1.00 0.00 O ATOM 0 H TYR A 19 -2.742 0.009 1.524 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.656 -0.117 -1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.196 -0.121 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.959 0.343 -0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.574 -2.456 0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.395 -1.348 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.060 -4.814 0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.886 -3.707 -1.334 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.173 -5.795 -1.262 1.00 0.00 H new ATOM 312 N PHE A 20 -4.699 2.303 -1.236 1.00 0.00 N ATOM 313 CA PHE A 20 -4.922 3.757 -1.405 1.00 0.00 C ATOM 314 C PHE A 20 -6.283 4.016 -2.083 1.00 0.00 C ATOM 315 O PHE A 20 -6.900 3.082 -2.599 1.00 0.00 O ATOM 316 CB PHE A 20 -3.741 4.444 -2.151 1.00 0.00 C ATOM 317 CG PHE A 20 -3.751 4.362 -3.657 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.177 3.290 -4.317 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.328 5.376 -4.405 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.181 3.230 -5.697 1.00 0.00 C ATOM 321 CE2 PHE A 20 -4.334 5.322 -5.784 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.761 4.249 -6.432 1.00 0.00 C ATOM 0 H PHE A 20 -5.269 1.728 -1.857 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.955 4.215 -0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.726 5.496 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.810 4.004 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.722 2.493 -3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.779 6.219 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.732 2.388 -6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.787 6.119 -6.355 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.765 4.204 -7.511 1.00 0.00 H new ATOM 332 N TYR A 21 -6.739 5.284 -2.075 1.00 0.00 N ATOM 333 CA TYR A 21 -8.032 5.660 -2.674 1.00 0.00 C ATOM 334 C TYR A 21 -7.880 6.426 -3.993 1.00 0.00 C ATOM 335 O TYR A 21 -7.594 7.632 -3.983 1.00 0.00 O ATOM 336 CB TYR A 21 -8.856 6.528 -1.673 1.00 0.00 C ATOM 337 CG TYR A 21 -10.080 7.258 -2.256 1.00 0.00 C ATOM 338 CD1 TYR A 21 -10.945 6.654 -3.176 1.00 0.00 C ATOM 339 CD2 TYR A 21 -10.356 8.567 -1.878 1.00 0.00 C ATOM 340 CE1 TYR A 21 -12.031 7.337 -3.692 1.00 0.00 C ATOM 341 CE2 TYR A 21 -11.442 9.249 -2.390 1.00 0.00 C ATOM 342 CZ TYR A 21 -12.273 8.632 -3.297 1.00 0.00 C ATOM 343 OH TYR A 21 -13.355 9.313 -3.807 1.00 0.00 O ATOM 0 H TYR A 21 -6.230 6.064 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.554 4.728 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.195 5.885 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.190 7.271 -1.235 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.761 5.637 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.708 9.061 -1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.687 6.855 -4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.639 10.264 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 21 -13.383 10.215 -3.425 1.00 0.00 H new ATOM 353 N ASN A 22 -8.088 5.741 -5.131 1.00 0.00 N ATOM 354 CA ASN A 22 -7.992 6.406 -6.426 1.00 0.00 C ATOM 355 C ASN A 22 -9.257 7.217 -6.664 1.00 0.00 C ATOM 356 O ASN A 22 -10.226 6.747 -7.273 1.00 0.00 O ATOM 357 CB ASN A 22 -7.778 5.429 -7.591 1.00 0.00 C ATOM 358 CG ASN A 22 -7.515 3.990 -7.174 1.00 0.00 C ATOM 359 OD1 ASN A 22 -6.668 3.718 -6.329 1.00 0.00 O ATOM 360 ND2 ASN A 22 -8.246 3.058 -7.776 1.00 0.00 N ATOM 0 H ASN A 22 -8.319 4.748 -5.174 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.115 7.053 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.659 5.452 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.938 5.779 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.113 2.075 -7.541 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.940 3.326 -8.474 1.00 0.00 H new ATOM 367 N ALA A 23 -9.234 8.452 -6.155 1.00 0.00 N ATOM 368 CA ALA A 23 -10.361 9.372 -6.277 1.00 0.00 C ATOM 369 C ALA A 23 -10.526 9.877 -7.720 1.00 0.00 C ATOM 370 O ALA A 23 -11.439 10.661 -8.005 1.00 0.00 O ATOM 371 CB ALA A 23 -10.184 10.540 -5.312 1.00 0.00 C ATOM 0 H ALA A 23 -8.436 8.838 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.271 8.831 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.028 11.223 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.136 10.164 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.261 11.070 -5.547 1.00 0.00 H new ATOM 377 N LYS A 24 -9.651 9.405 -8.635 1.00 0.00 N ATOM 378 CA LYS A 24 -9.720 9.795 -10.045 1.00 0.00 C ATOM 379 C LYS A 24 -10.520 8.746 -10.824 1.00 0.00 C ATOM 380 O LYS A 24 -11.250 9.078 -11.764 1.00 0.00 O ATOM 381 CB LYS A 24 -8.302 9.941 -10.623 1.00 0.00 C ATOM 382 CG LYS A 24 -8.232 10.711 -11.946 1.00 0.00 C ATOM 383 CD LYS A 24 -6.803 10.829 -12.479 1.00 0.00 C ATOM 384 CE LYS A 24 -6.343 9.564 -13.200 1.00 0.00 C ATOM 385 NZ LYS A 24 -4.950 9.693 -13.712 1.00 0.00 N ATOM 0 H LYS A 24 -8.895 8.757 -8.416 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.223 10.758 -10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.674 10.447 -9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.880 8.947 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.853 10.209 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.647 11.709 -11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.742 11.676 -13.163 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.126 11.038 -11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.402 8.715 -12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.017 9.354 -14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.675 8.814 -14.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.898 10.487 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.303 9.868 -12.917 1.00 0.00 H new ATOM 399 N ALA A 25 -10.382 7.484 -10.397 1.00 0.00 N ATOM 400 CA ALA A 25 -11.090 6.363 -11.006 1.00 0.00 C ATOM 401 C ALA A 25 -12.398 6.096 -10.258 1.00 0.00 C ATOM 402 O ALA A 25 -13.458 5.976 -10.881 1.00 0.00 O ATOM 403 CB ALA A 25 -10.204 5.123 -11.019 1.00 0.00 C ATOM 0 H ALA A 25 -9.776 7.217 -9.621 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.334 6.616 -12.038 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.745 4.294 -11.476 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.300 5.327 -11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.932 4.859 -9.997 1.00 0.00 H new ATOM 409 N GLY A 26 -12.312 6.013 -8.920 1.00 0.00 N ATOM 410 CA GLY A 26 -13.486 5.774 -8.097 1.00 0.00 C ATOM 411 C GLY A 26 -13.186 4.926 -6.874 1.00 0.00 C ATOM 412 O GLY A 26 -13.461 5.341 -5.744 1.00 0.00 O ATOM 0 H GLY A 26 -11.442 6.109 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.900 6.730 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.250 5.280 -8.697 1.00 0.00 H new ATOM 416 N LEU A 27 -12.658 3.722 -7.112 1.00 0.00 N ATOM 417 CA LEU A 27 -12.351 2.767 -6.039 1.00 0.00 C ATOM 418 C LEU A 27 -10.921 2.916 -5.471 1.00 0.00 C ATOM 419 O LEU A 27 -10.166 3.831 -5.839 1.00 0.00 O ATOM 420 CB LEU A 27 -12.614 1.321 -6.540 1.00 0.00 C ATOM 421 CG LEU A 27 -11.949 0.906 -7.871 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.505 0.464 -7.660 1.00 0.00 C ATOM 423 CD2 LEU A 27 -12.750 -0.201 -8.537 1.00 0.00 C ATOM 0 H LEU A 27 -12.432 3.382 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.016 2.992 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.282 0.629 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.691 1.190 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.937 1.778 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.068 0.179 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.932 1.286 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.481 -0.389 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.270 -0.484 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.794 -1.067 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.761 0.153 -8.739 1.00 0.00 H new ATOM 435 N CYS A 28 -10.580 1.995 -4.558 1.00 0.00 N ATOM 436 CA CYS A 28 -9.278 1.959 -3.902 1.00 0.00 C ATOM 437 C CYS A 28 -8.373 0.923 -4.559 1.00 0.00 C ATOM 438 O CYS A 28 -8.822 -0.187 -4.857 1.00 0.00 O ATOM 439 CB CYS A 28 -9.454 1.610 -2.422 1.00 0.00 C ATOM 440 SG CYS A 28 -10.148 2.952 -1.410 1.00 0.00 S ATOM 0 H CYS A 28 -11.209 1.251 -4.256 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.817 2.942 -3.998 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.103 0.738 -2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.486 1.325 -2.011 1.00 0.00 H new ATOM 445 N GLN A 29 -7.099 1.281 -4.779 1.00 0.00 N ATOM 446 CA GLN A 29 -6.138 0.362 -5.397 1.00 0.00 C ATOM 447 C GLN A 29 -5.090 -0.058 -4.349 1.00 0.00 C ATOM 448 O GLN A 29 -5.407 -0.068 -3.147 1.00 0.00 O ATOM 449 CB GLN A 29 -5.499 1.013 -6.636 1.00 0.00 C ATOM 450 CG GLN A 29 -5.052 0.018 -7.702 1.00 0.00 C ATOM 451 CD GLN A 29 -4.387 0.689 -8.890 1.00 0.00 C ATOM 452 OE1 GLN A 29 -3.347 1.336 -8.753 1.00 0.00 O ATOM 453 NE2 GLN A 29 -4.986 0.538 -10.065 1.00 0.00 N ATOM 0 H GLN A 29 -6.714 2.195 -4.539 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.648 -0.538 -5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.214 1.706 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.638 1.602 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.358 -0.696 -7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.916 -0.550 -8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.846 -0.006 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.586 0.966 -10.900 1.00 0.00 H new ATOM 462 N THR A 30 -3.845 -0.385 -4.767 1.00 0.00 N ATOM 463 CA THR A 30 -2.799 -0.794 -3.829 1.00 0.00 C ATOM 464 C THR A 30 -1.447 -0.172 -4.191 1.00 0.00 C ATOM 465 O THR A 30 -1.052 -0.166 -5.360 1.00 0.00 O ATOM 466 CB THR A 30 -2.668 -2.327 -3.806 1.00 0.00 C ATOM 467 OG1 THR A 30 -2.512 -2.842 -5.118 1.00 0.00 O ATOM 468 CG2 THR A 30 -3.850 -3.033 -3.172 1.00 0.00 C ATOM 0 H THR A 30 -3.551 -0.371 -5.744 1.00 0.00 H new ATOM 0 HA THR A 30 -3.089 -0.438 -2.840 1.00 0.00 H new ATOM 0 HB THR A 30 -1.786 -2.522 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.429 -3.818 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.684 -4.110 -3.193 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.960 -2.703 -2.139 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.757 -2.795 -3.728 1.00 0.00 H new ATOM 476 N PHE A 31 -0.749 0.339 -3.168 1.00 0.00 N ATOM 477 CA PHE A 31 0.571 0.963 -3.340 1.00 0.00 C ATOM 478 C PHE A 31 1.539 0.439 -2.264 1.00 0.00 C ATOM 479 O PHE A 31 1.098 -0.154 -1.292 1.00 0.00 O ATOM 480 CB PHE A 31 0.434 2.502 -3.270 1.00 0.00 C ATOM 481 CG PHE A 31 0.486 3.099 -1.880 1.00 0.00 C ATOM 482 CD1 PHE A 31 -0.453 2.768 -0.904 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.495 3.989 -1.556 1.00 0.00 C ATOM 484 CE1 PHE A 31 -0.373 3.322 0.359 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.574 4.543 -0.295 1.00 0.00 C ATOM 486 CZ PHE A 31 0.641 4.210 0.662 1.00 0.00 C ATOM 0 H PHE A 31 -1.080 0.332 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 31 0.977 0.702 -4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.229 2.948 -3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.511 2.787 -3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.248 2.074 -1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.231 4.254 -2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.104 3.061 1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.367 5.237 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.702 4.643 1.649 1.00 0.00 H new ATOM 496 N VAL A 32 2.849 0.664 -2.438 1.00 0.00 N ATOM 497 CA VAL A 32 3.877 0.216 -1.494 1.00 0.00 C ATOM 498 C VAL A 32 3.951 1.143 -0.249 1.00 0.00 C ATOM 499 O VAL A 32 3.037 1.935 0.002 1.00 0.00 O ATOM 500 CB VAL A 32 5.253 0.124 -2.258 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.937 1.478 -2.423 1.00 0.00 C ATOM 502 CG2 VAL A 32 6.193 -0.887 -1.611 1.00 0.00 C ATOM 0 H VAL A 32 3.225 1.165 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 32 3.621 -0.772 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 32 5.013 -0.230 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.879 1.347 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.289 2.146 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.133 1.909 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.130 -0.921 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.393 -0.591 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.729 -1.873 -1.621 1.00 0.00 H new ATOM 512 N TYR A 33 5.064 1.039 0.491 1.00 0.00 N ATOM 513 CA TYR A 33 5.338 1.847 1.683 1.00 0.00 C ATOM 514 C TYR A 33 6.797 1.642 2.099 1.00 0.00 C ATOM 515 O TYR A 33 7.188 0.541 2.507 1.00 0.00 O ATOM 516 CB TYR A 33 4.391 1.494 2.854 1.00 0.00 C ATOM 517 CG TYR A 33 4.500 2.431 4.046 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.949 3.709 4.016 1.00 0.00 C ATOM 519 CD2 TYR A 33 5.172 2.035 5.192 1.00 0.00 C ATOM 520 CE1 TYR A 33 4.062 4.561 5.098 1.00 0.00 C ATOM 521 CE2 TYR A 33 5.288 2.881 6.280 1.00 0.00 C ATOM 522 CZ TYR A 33 4.732 4.142 6.227 1.00 0.00 C ATOM 523 OH TYR A 33 4.847 4.986 7.307 1.00 0.00 O ATOM 0 H TYR A 33 5.810 0.379 0.272 1.00 0.00 H new ATOM 0 HA TYR A 33 5.162 2.894 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.363 1.503 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.603 0.477 3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.424 4.040 3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.612 1.050 5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.628 5.549 5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.811 2.556 7.167 1.00 0.00 H new ATOM 0 HH TYR A 33 5.347 4.538 8.021 1.00 0.00 H new ATOM 533 N GLY A 34 7.591 2.707 1.981 1.00 0.00 N ATOM 534 CA GLY A 34 8.999 2.640 2.337 1.00 0.00 C ATOM 535 C GLY A 34 9.357 3.576 3.472 1.00 0.00 C ATOM 536 O GLY A 34 8.623 4.530 3.750 1.00 0.00 O ATOM 0 H GLY A 34 7.281 3.618 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.250 1.618 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.603 2.886 1.464 1.00 0.00 H new ATOM 540 N GLY A 35 10.494 3.301 4.121 1.00 0.00 N ATOM 541 CA GLY A 35 10.957 4.127 5.229 1.00 0.00 C ATOM 542 C GLY A 35 11.817 5.291 4.763 1.00 0.00 C ATOM 543 O GLY A 35 12.869 5.563 5.349 1.00 0.00 O ATOM 0 H GLY A 35 11.104 2.515 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.097 4.511 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.529 3.511 5.924 1.00 0.00 H new ATOM 547 N CYS A 36 11.361 5.968 3.702 1.00 0.00 N ATOM 548 CA CYS A 36 12.076 7.108 3.132 1.00 0.00 C ATOM 549 C CYS A 36 11.543 8.433 3.691 1.00 0.00 C ATOM 550 O CYS A 36 12.325 9.280 4.134 1.00 0.00 O ATOM 551 CB CYS A 36 11.972 7.083 1.599 1.00 0.00 C ATOM 552 SG CYS A 36 10.275 7.234 0.956 1.00 0.00 S ATOM 0 H CYS A 36 10.492 5.740 3.220 1.00 0.00 H new ATOM 0 HA CYS A 36 13.126 7.030 3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.575 7.895 1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.404 6.152 1.233 1.00 0.00 H new ATOM 557 N ARG A 37 10.211 8.598 3.673 1.00 0.00 N ATOM 558 CA ARG A 37 9.560 9.811 4.181 1.00 0.00 C ATOM 559 C ARG A 37 8.407 9.473 5.131 1.00 0.00 C ATOM 560 O ARG A 37 8.201 10.166 6.130 1.00 0.00 O ATOM 561 CB ARG A 37 9.034 10.683 3.027 1.00 0.00 C ATOM 562 CG ARG A 37 10.116 11.406 2.224 1.00 0.00 C ATOM 563 CD ARG A 37 10.738 10.512 1.150 1.00 0.00 C ATOM 564 NE ARG A 37 11.782 11.198 0.365 1.00 0.00 N ATOM 565 CZ ARG A 37 11.559 12.164 -0.548 1.00 0.00 C ATOM 566 NH1 ARG A 37 10.325 12.585 -0.817 1.00 0.00 N ATOM 567 NH2 ARG A 37 12.584 12.706 -1.191 1.00 0.00 N ATOM 0 H ARG A 37 9.562 7.900 3.309 1.00 0.00 H new ATOM 0 HA ARG A 37 10.316 10.369 4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.457 10.054 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.347 11.425 3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.686 12.290 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.896 11.753 2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.168 9.629 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.955 10.163 0.477 1.00 0.00 H new ATOM 0 HE ARG A 37 12.750 10.919 0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.529 12.175 -0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.176 13.317 -1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.534 12.391 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.423 13.438 -1.883 1.00 0.00 H new ATOM 581 N ALA A 38 7.667 8.388 4.806 1.00 0.00 N ATOM 582 CA ALA A 38 6.513 7.896 5.604 1.00 0.00 C ATOM 583 C ALA A 38 5.456 8.985 5.861 1.00 0.00 C ATOM 584 O ALA A 38 5.713 9.963 6.572 1.00 0.00 O ATOM 585 CB ALA A 38 6.981 7.281 6.926 1.00 0.00 C ATOM 0 H ALA A 38 7.853 7.823 3.977 1.00 0.00 H new ATOM 0 HA ALA A 38 6.033 7.122 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.117 6.929 7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.647 6.442 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.513 8.033 7.509 1.00 0.00 H new ATOM 591 N LYS A 39 4.268 8.795 5.277 1.00 0.00 N ATOM 592 CA LYS A 39 3.161 9.742 5.432 1.00 0.00 C ATOM 593 C LYS A 39 1.902 9.030 5.965 1.00 0.00 C ATOM 594 O LYS A 39 1.841 7.797 5.980 1.00 0.00 O ATOM 595 CB LYS A 39 2.947 10.512 4.097 1.00 0.00 C ATOM 596 CG LYS A 39 1.599 10.344 3.397 1.00 0.00 C ATOM 597 CD LYS A 39 1.438 11.359 2.275 1.00 0.00 C ATOM 598 CE LYS A 39 0.095 11.224 1.578 1.00 0.00 C ATOM 599 NZ LYS A 39 -0.063 12.217 0.479 1.00 0.00 N ATOM 0 H LYS A 39 4.049 7.990 4.690 1.00 0.00 H new ATOM 0 HA LYS A 39 3.403 10.491 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.095 11.574 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.728 10.205 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.518 9.335 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.792 10.464 4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.538 12.366 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.239 11.227 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.005 10.217 1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.706 11.357 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.992 12.092 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.007 13.179 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.686 12.074 -0.228 1.00 0.00 H new ATOM 613 N ARG A 40 0.916 9.822 6.421 1.00 0.00 N ATOM 614 CA ARG A 40 -0.332 9.286 6.986 1.00 0.00 C ATOM 615 C ARG A 40 -1.361 8.929 5.900 1.00 0.00 C ATOM 616 O ARG A 40 -2.498 9.417 5.913 1.00 0.00 O ATOM 617 CB ARG A 40 -0.936 10.297 7.986 1.00 0.00 C ATOM 618 CG ARG A 40 -0.145 10.459 9.285 1.00 0.00 C ATOM 619 CD ARG A 40 -0.418 9.331 10.279 1.00 0.00 C ATOM 620 NE ARG A 40 -1.782 9.384 10.824 1.00 0.00 N ATOM 621 CZ ARG A 40 -2.283 8.514 11.715 1.00 0.00 C ATOM 622 NH1 ARG A 40 -1.548 7.506 12.181 1.00 0.00 N ATOM 623 NH2 ARG A 40 -3.530 8.658 12.140 1.00 0.00 N ATOM 0 H ARG A 40 0.961 10.841 6.408 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.083 8.361 7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.011 11.269 7.499 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.951 9.984 8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.920 10.488 9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.399 11.414 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.263 8.371 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.300 9.389 11.097 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.392 10.136 10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.587 7.385 11.861 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.946 6.855 12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.103 9.426 11.790 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.917 8.001 12.817 1.00 0.00 H new ATOM 637 N ASN A 41 -0.961 8.047 4.975 1.00 0.00 N ATOM 638 CA ASN A 41 -1.850 7.593 3.897 1.00 0.00 C ATOM 639 C ASN A 41 -1.522 6.151 3.497 1.00 0.00 C ATOM 640 O ASN A 41 -0.678 5.909 2.629 1.00 0.00 O ATOM 641 CB ASN A 41 -1.771 8.539 2.671 1.00 0.00 C ATOM 642 CG ASN A 41 -2.818 8.265 1.580 1.00 0.00 C ATOM 643 OD1 ASN A 41 -3.030 9.100 0.700 1.00 0.00 O ATOM 644 ND2 ASN A 41 -3.452 7.088 1.607 1.00 0.00 N ATOM 0 H ASN A 41 -0.029 7.634 4.951 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.873 7.619 4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.885 9.567 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.777 8.458 2.230 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.135 6.860 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.253 6.418 2.350 1.00 0.00 H new ATOM 651 N ASN A 42 -2.229 5.203 4.126 1.00 0.00 N ATOM 652 CA ASN A 42 -2.074 3.771 3.849 1.00 0.00 C ATOM 653 C ASN A 42 -3.332 3.019 4.253 1.00 0.00 C ATOM 654 O ASN A 42 -3.962 3.354 5.261 1.00 0.00 O ATOM 655 CB ASN A 42 -0.890 3.150 4.596 1.00 0.00 C ATOM 656 CG ASN A 42 0.465 3.582 4.066 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.908 4.707 4.294 1.00 0.00 O ATOM 658 ND2 ASN A 42 1.126 2.687 3.342 1.00 0.00 N ATOM 0 H ASN A 42 -2.925 5.409 4.842 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.892 3.684 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.958 3.416 5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.964 2.064 4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.038 2.921 2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.722 1.765 3.177 1.00 0.00 H new ATOM 665 N PHE A 43 -3.682 1.989 3.472 1.00 0.00 N ATOM 666 CA PHE A 43 -4.869 1.181 3.785 1.00 0.00 C ATOM 667 C PHE A 43 -4.650 -0.321 3.632 1.00 0.00 C ATOM 668 O PHE A 43 -3.860 -0.774 2.808 1.00 0.00 O ATOM 669 CB PHE A 43 -6.077 1.654 2.978 1.00 0.00 C ATOM 670 CG PHE A 43 -6.763 2.831 3.615 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.291 4.122 3.427 1.00 0.00 C ATOM 672 CD2 PHE A 43 -7.875 2.641 4.418 1.00 0.00 C ATOM 673 CE1 PHE A 43 -6.915 5.197 4.028 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.502 3.714 5.022 1.00 0.00 C ATOM 675 CZ PHE A 43 -8.021 4.992 4.825 1.00 0.00 C ATOM 0 H PHE A 43 -3.174 1.699 2.637 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.071 1.339 4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.756 1.924 1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.787 0.833 2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.425 4.288 2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.257 1.643 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.537 6.197 3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.367 3.552 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.511 5.832 5.295 1.00 0.00 H new ATOM 685 N LYS A 44 -5.347 -1.078 4.489 1.00 0.00 N ATOM 686 CA LYS A 44 -5.248 -2.540 4.518 1.00 0.00 C ATOM 687 C LYS A 44 -6.368 -3.222 3.722 1.00 0.00 C ATOM 688 O LYS A 44 -6.110 -4.193 3.005 1.00 0.00 O ATOM 689 CB LYS A 44 -5.260 -3.051 5.971 1.00 0.00 C ATOM 690 CG LYS A 44 -4.033 -2.662 6.800 1.00 0.00 C ATOM 691 CD LYS A 44 -2.801 -3.486 6.435 1.00 0.00 C ATOM 692 CE LYS A 44 -1.595 -3.084 7.268 1.00 0.00 C ATOM 693 NZ LYS A 44 -0.388 -3.883 6.918 1.00 0.00 N ATOM 0 H LYS A 44 -5.993 -0.694 5.179 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.302 -2.800 4.043 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.152 -2.670 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.342 -4.138 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.817 -1.604 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.256 -2.795 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.012 -4.545 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.574 -3.354 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.386 -2.025 7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.824 -3.216 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.399 -3.614 7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.595 -4.895 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.124 -3.698 5.929 1.00 0.00 H new ATOM 707 N SER A 45 -7.609 -2.733 3.874 1.00 0.00 N ATOM 708 CA SER A 45 -8.765 -3.328 3.189 1.00 0.00 C ATOM 709 C SER A 45 -9.577 -2.293 2.407 1.00 0.00 C ATOM 710 O SER A 45 -9.517 -1.090 2.690 1.00 0.00 O ATOM 711 CB SER A 45 -9.664 -4.035 4.207 1.00 0.00 C ATOM 712 OG SER A 45 -8.962 -5.065 4.880 1.00 0.00 O ATOM 0 H SER A 45 -7.836 -1.931 4.462 1.00 0.00 H new ATOM 0 HA SER A 45 -8.380 -4.049 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.037 -3.311 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.533 -4.454 3.700 1.00 0.00 H new ATOM 0 HG SER A 45 -9.558 -5.499 5.525 1.00 0.00 H new ATOM 718 N ALA A 46 -10.351 -2.789 1.419 1.00 0.00 N ATOM 719 CA ALA A 46 -11.201 -1.944 0.568 1.00 0.00 C ATOM 720 C ALA A 46 -12.327 -1.277 1.371 1.00 0.00 C ATOM 721 O ALA A 46 -12.413 -0.046 1.395 1.00 0.00 O ATOM 722 CB ALA A 46 -11.766 -2.762 -0.589 1.00 0.00 C ATOM 0 H ALA A 46 -10.401 -3.782 1.193 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.580 -1.145 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.394 -2.125 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.947 -3.161 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.362 -3.586 -0.195 1.00 0.00 H new ATOM 728 N GLU A 47 -13.197 -2.094 2.011 1.00 0.00 N ATOM 729 CA GLU A 47 -14.336 -1.598 2.817 1.00 0.00 C ATOM 730 C GLU A 47 -13.898 -0.498 3.803 1.00 0.00 C ATOM 731 O GLU A 47 -14.600 0.503 3.975 1.00 0.00 O ATOM 732 CB GLU A 47 -14.987 -2.774 3.574 1.00 0.00 C ATOM 733 CG GLU A 47 -16.393 -2.496 4.120 1.00 0.00 C ATOM 734 CD GLU A 47 -17.455 -2.393 3.035 1.00 0.00 C ATOM 735 OE1 GLU A 47 -17.352 -1.484 2.184 1.00 0.00 O ATOM 736 OE2 GLU A 47 -18.389 -3.223 3.040 1.00 0.00 O ATOM 0 H GLU A 47 -13.129 -3.111 1.983 1.00 0.00 H new ATOM 0 HA GLU A 47 -15.066 -1.155 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.037 -3.633 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.340 -3.054 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.669 -3.291 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.376 -1.567 4.690 1.00 0.00 H new ATOM 743 N ASP A 48 -12.716 -0.687 4.411 1.00 0.00 N ATOM 744 CA ASP A 48 -12.146 0.293 5.349 1.00 0.00 C ATOM 745 C ASP A 48 -11.608 1.504 4.579 1.00 0.00 C ATOM 746 O ASP A 48 -11.727 2.653 5.035 1.00 0.00 O ATOM 747 CB ASP A 48 -11.023 -0.339 6.181 1.00 0.00 C ATOM 748 CG ASP A 48 -11.520 -1.436 7.107 1.00 0.00 C ATOM 749 OD1 ASP A 48 -12.356 -1.137 7.987 1.00 0.00 O ATOM 750 OD2 ASP A 48 -11.073 -2.591 6.953 1.00 0.00 O ATOM 0 H ASP A 48 -12.135 -1.513 4.269 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.935 0.619 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.268 -0.750 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.536 0.436 6.773 1.00 0.00 H new ATOM 755 N CYS A 49 -11.068 1.229 3.374 1.00 0.00 N ATOM 756 CA CYS A 49 -10.552 2.276 2.488 1.00 0.00 C ATOM 757 C CYS A 49 -11.693 3.153 1.965 1.00 0.00 C ATOM 758 O CYS A 49 -11.474 4.306 1.613 1.00 0.00 O ATOM 759 CB CYS A 49 -9.771 1.676 1.316 1.00 0.00 C ATOM 760 SG CYS A 49 -8.978 2.923 0.248 1.00 0.00 S ATOM 0 H CYS A 49 -10.981 0.285 2.997 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.871 2.895 3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.006 1.005 1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.447 1.071 0.712 1.00 0.00 H new ATOM 765 N MET A 50 -12.916 2.598 1.950 1.00 0.00 N ATOM 766 CA MET A 50 -14.100 3.323 1.514 1.00 0.00 C ATOM 767 C MET A 50 -14.648 4.155 2.678 1.00 0.00 C ATOM 768 O MET A 50 -14.864 5.365 2.540 1.00 0.00 O ATOM 769 CB MET A 50 -15.153 2.338 1.000 1.00 0.00 C ATOM 770 CG MET A 50 -14.834 1.746 -0.369 1.00 0.00 C ATOM 771 SD MET A 50 -16.092 0.586 -0.956 1.00 0.00 S ATOM 772 CE MET A 50 -17.443 1.688 -1.379 1.00 0.00 C ATOM 0 H MET A 50 -13.102 1.638 2.240 1.00 0.00 H new ATOM 0 HA MET A 50 -13.839 3.998 0.699 1.00 0.00 H new ATOM 0 HB2 MET A 50 -15.258 1.526 1.720 1.00 0.00 H new ATOM 0 HB3 MET A 50 -16.116 2.846 0.949 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.730 2.555 -1.092 1.00 0.00 H new ATOM 0 HG3 MET A 50 -13.872 1.235 -0.321 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.235 1.121 -1.869 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.834 2.149 -0.472 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.082 2.464 -2.054 1.00 0.00 H new ATOM 782 N ARG A 51 -14.854 3.484 3.833 1.00 0.00 N ATOM 783 CA ARG A 51 -15.357 4.125 5.061 1.00 0.00 C ATOM 784 C ARG A 51 -14.563 5.406 5.382 1.00 0.00 C ATOM 785 O ARG A 51 -15.142 6.409 5.805 1.00 0.00 O ATOM 786 CB ARG A 51 -15.279 3.133 6.235 1.00 0.00 C ATOM 787 CG ARG A 51 -16.133 3.512 7.442 1.00 0.00 C ATOM 788 CD ARG A 51 -16.005 2.489 8.558 1.00 0.00 C ATOM 789 NE ARG A 51 -16.822 2.842 9.724 1.00 0.00 N ATOM 790 CZ ARG A 51 -16.899 2.118 10.851 1.00 0.00 C ATOM 791 NH1 ARG A 51 -16.213 0.985 10.991 1.00 0.00 N ATOM 792 NH2 ARG A 51 -17.671 2.534 11.845 1.00 0.00 N ATOM 0 H ARG A 51 -14.676 2.485 3.937 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.397 4.410 4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.587 2.148 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.240 3.047 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.831 4.493 7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -17.177 3.593 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.306 1.509 8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.960 2.409 8.858 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.371 3.700 9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.616 0.654 10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.285 0.449 11.856 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.202 3.400 11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.734 1.988 12.704 1.00 0.00 H new ATOM 806 N THR A 52 -13.240 5.358 5.146 1.00 0.00 N ATOM 807 CA THR A 52 -12.371 6.513 5.379 1.00 0.00 C ATOM 808 C THR A 52 -12.231 7.345 4.084 1.00 0.00 C ATOM 809 O THR A 52 -12.413 8.566 4.112 1.00 0.00 O ATOM 810 CB THR A 52 -10.998 6.054 5.902 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.152 5.075 6.916 1.00 0.00 O ATOM 812 CG2 THR A 52 -10.156 7.171 6.496 1.00 0.00 C ATOM 0 H THR A 52 -12.755 4.532 4.795 1.00 0.00 H new ATOM 0 HA THR A 52 -12.822 7.149 6.141 1.00 0.00 H new ATOM 0 HB THR A 52 -10.486 5.661 5.024 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.332 4.204 6.505 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.205 6.766 6.841 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.972 7.931 5.737 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.686 7.619 7.337 1.00 0.00 H new ATOM 820 N CYS A 53 -11.911 6.675 2.961 1.00 0.00 N ATOM 821 CA CYS A 53 -11.752 7.348 1.668 1.00 0.00 C ATOM 822 C CYS A 53 -12.584 6.689 0.549 1.00 0.00 C ATOM 823 O CYS A 53 -12.038 6.137 -0.414 1.00 0.00 O ATOM 824 CB CYS A 53 -10.268 7.417 1.277 1.00 0.00 C ATOM 825 SG CYS A 53 -9.280 5.934 1.662 1.00 0.00 S ATOM 0 H CYS A 53 -11.758 5.667 2.928 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.135 8.362 1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.202 7.607 0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -9.818 8.272 1.781 1.00 0.00 H new ATOM 830 N GLY A 54 -13.912 6.754 0.690 1.00 0.00 N ATOM 831 CA GLY A 54 -14.812 6.179 -0.302 1.00 0.00 C ATOM 832 C GLY A 54 -16.254 6.596 -0.086 1.00 0.00 C ATOM 833 O GLY A 54 -17.073 5.793 0.372 1.00 0.00 O ATOM 0 H GLY A 54 -14.381 7.198 1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.493 6.486 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.742 5.092 -0.265 1.00 0.00 H new