USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 16 CYS SG : rot -163:sc= -0.149! USER MOD Set 1.2: A 32 CYS SG : rot 170:sc= 1.57 USER MOD Set 1.3: A 34 CYS SG : rot -122:sc= 0.421 USER MOD Set 1.4: A 38 TYR OH : rot -117:sc= 0.0142 USER MOD Set 1.5: A 43 CYS SG : rot 128:sc= -1.06! USER MOD Set 2.1: A 8 CYS SG : rot 135:sc= 1.39 USER MOD Set 2.2: A 15 TYR OH : rot 124:sc= -3.84! USER MOD Set 2.3: A 21 CYS SG : rot 17:sc= 1.2 USER MOD Single : A 1 ARG N :NH3+ -169:sc= -0.0167 (180deg=-0.401) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -2.12! K(o=-2.1!,f=-1.1) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 139:sc= -0.181 (180deg=-1.09) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -1.6 (180deg=-1.86) USER MOD Single : A 28 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.7) USER MOD Single : A 29 THR OG1 : rot 81:sc= 0.406 USER MOD Single : A 31 SER OG : rot -50:sc= -0.785 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -0.410 19.147 -10.387 1.00 0.00 N ATOM 2 CA ARG A 1 -0.848 18.899 -11.792 1.00 0.00 C ATOM 3 C ARG A 1 -0.394 17.510 -12.249 1.00 0.00 C ATOM 4 O ARG A 1 -1.022 16.884 -13.080 1.00 0.00 O ATOM 5 CB ARG A 1 -0.160 19.986 -12.618 1.00 0.00 C ATOM 6 CG ARG A 1 -0.787 21.344 -12.299 1.00 0.00 C ATOM 7 CD ARG A 1 -0.364 22.365 -13.360 1.00 0.00 C ATOM 8 NE ARG A 1 0.798 23.078 -12.763 1.00 0.00 N ATOM 9 CZ ARG A 1 1.592 23.781 -13.522 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.096 24.665 -14.343 1.00 0.00 N ATOM 11 NH2 ARG A 1 2.884 23.601 -13.460 1.00 0.00 N ATOM 0 H1 ARG A 1 -0.876 20.003 -10.024 1.00 0.00 H new ATOM 0 H2 ARG A 1 -0.670 18.333 -9.794 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.621 19.278 -10.363 1.00 0.00 H new ATOM 0 HA ARG A 1 -1.932 18.930 -11.899 1.00 0.00 H new ATOM 0 HB2 ARG A 1 0.907 20.005 -12.396 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -0.261 19.768 -13.681 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -1.873 21.258 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -0.472 21.679 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -0.089 21.874 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -1.176 23.055 -13.590 1.00 0.00 H new ATOM 0 HE ARG A 1 0.973 23.017 -11.760 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.087 24.806 -14.391 1.00 0.00 H new ATOM 0 HH12 ARG A 1 1.717 25.215 -14.937 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.272 22.910 -12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.505 24.151 -14.054 1.00 0.00 H new ATOM 27 N LYS A 2 0.691 17.023 -11.713 1.00 0.00 N ATOM 28 CA LYS A 2 1.183 15.675 -12.118 1.00 0.00 C ATOM 29 C LYS A 2 0.937 14.664 -10.994 1.00 0.00 C ATOM 30 O LYS A 2 1.470 13.573 -11.001 1.00 0.00 O ATOM 31 CB LYS A 2 2.682 15.855 -12.358 1.00 0.00 C ATOM 32 CG LYS A 2 2.904 16.964 -13.389 1.00 0.00 C ATOM 33 CD LYS A 2 4.405 17.168 -13.605 1.00 0.00 C ATOM 34 CE LYS A 2 4.875 16.303 -14.777 1.00 0.00 C ATOM 35 NZ LYS A 2 5.288 17.272 -15.829 1.00 0.00 N ATOM 0 H LYS A 2 1.258 17.500 -11.012 1.00 0.00 H new ATOM 0 HA LYS A 2 0.672 15.297 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.183 16.107 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.119 14.921 -12.712 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.423 16.701 -14.331 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.446 17.891 -13.045 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.614 18.218 -13.808 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.953 16.902 -12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.705 15.660 -14.485 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.076 15.651 -15.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.623 16.754 -16.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.476 17.866 -16.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.054 17.874 -15.465 1.00 0.00 H new ATOM 49 N GLY A 3 0.133 15.020 -10.029 1.00 0.00 N ATOM 50 CA GLY A 3 -0.147 14.080 -8.907 1.00 0.00 C ATOM 51 C GLY A 3 0.271 14.724 -7.584 1.00 0.00 C ATOM 52 O GLY A 3 1.187 15.519 -7.533 1.00 0.00 O ATOM 0 H GLY A 3 -0.342 15.921 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.208 13.831 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.396 13.147 -9.057 1.00 0.00 H new ATOM 56 N HIS A 4 -0.395 14.388 -6.513 1.00 0.00 N ATOM 57 CA HIS A 4 -0.033 14.982 -5.194 1.00 0.00 C ATOM 58 C HIS A 4 -0.753 14.242 -4.065 1.00 0.00 C ATOM 59 O HIS A 4 -1.528 14.818 -3.326 1.00 0.00 O ATOM 60 CB HIS A 4 -0.507 16.434 -5.272 1.00 0.00 C ATOM 61 CG HIS A 4 -1.977 16.466 -5.585 1.00 0.00 C ATOM 62 ND1 HIS A 4 -2.895 17.095 -4.758 1.00 0.00 N ATOM 63 CD2 HIS A 4 -2.705 15.951 -6.630 1.00 0.00 C ATOM 64 CE1 HIS A 4 -4.112 16.944 -5.314 1.00 0.00 C ATOM 65 NE2 HIS A 4 -4.053 16.255 -6.456 1.00 0.00 N ATOM 0 H HIS A 4 -1.173 13.729 -6.494 1.00 0.00 H new ATOM 0 HA HIS A 4 1.035 14.912 -4.988 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.315 16.942 -4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.051 16.969 -6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.295 15.395 -7.460 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.025 17.333 -4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.829 16.005 -7.069 1.00 0.00 H new ATOM 73 N PHE A 5 -0.504 12.968 -3.923 1.00 0.00 N ATOM 74 CA PHE A 5 -1.174 12.191 -2.840 1.00 0.00 C ATOM 75 C PHE A 5 -0.200 11.949 -1.684 1.00 0.00 C ATOM 76 O PHE A 5 0.741 12.691 -1.485 1.00 0.00 O ATOM 77 CB PHE A 5 -1.573 10.867 -3.492 1.00 0.00 C ATOM 78 CG PHE A 5 -2.304 11.141 -4.784 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.644 11.545 -4.758 1.00 0.00 C ATOM 80 CD2 PHE A 5 -1.642 10.990 -6.009 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.322 11.798 -5.956 1.00 0.00 C ATOM 82 CE2 PHE A 5 -2.321 11.244 -7.207 1.00 0.00 C ATOM 83 CZ PHE A 5 -3.661 11.648 -7.181 1.00 0.00 C ATOM 0 H PHE A 5 0.135 12.431 -4.510 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.034 12.716 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.686 10.263 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.209 10.294 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.155 11.661 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.608 10.678 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.356 12.109 -5.935 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.811 11.128 -8.152 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.184 11.844 -8.105 1.00 0.00 H new ATOM 93 N SER A 6 -0.420 10.915 -0.918 1.00 0.00 N ATOM 94 CA SER A 6 0.495 10.626 0.225 1.00 0.00 C ATOM 95 C SER A 6 0.606 9.115 0.446 1.00 0.00 C ATOM 96 O SER A 6 -0.363 8.390 0.352 1.00 0.00 O ATOM 97 CB SER A 6 -0.156 11.298 1.432 1.00 0.00 C ATOM 98 OG SER A 6 0.803 12.116 2.090 1.00 0.00 O ATOM 0 H SER A 6 -1.192 10.259 -1.033 1.00 0.00 H new ATOM 0 HA SER A 6 1.505 10.995 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.006 11.900 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.540 10.544 2.119 1.00 0.00 H new ATOM 0 HG SER A 6 0.387 12.550 2.864 1.00 0.00 H new ATOM 104 N ARG A 7 1.784 8.637 0.741 1.00 0.00 N ATOM 105 CA ARG A 7 1.960 7.172 0.968 1.00 0.00 C ATOM 106 C ARG A 7 1.658 6.820 2.430 1.00 0.00 C ATOM 107 O ARG A 7 1.848 7.622 3.323 1.00 0.00 O ATOM 108 CB ARG A 7 3.429 6.886 0.618 1.00 0.00 C ATOM 109 CG ARG A 7 4.331 7.134 1.835 1.00 0.00 C ATOM 110 CD ARG A 7 5.766 6.721 1.501 1.00 0.00 C ATOM 111 NE ARG A 7 6.566 7.115 2.693 1.00 0.00 N ATOM 112 CZ ARG A 7 7.785 7.555 2.544 1.00 0.00 C ATOM 113 NH1 ARG A 7 8.000 8.699 1.954 1.00 0.00 N ATOM 114 NH2 ARG A 7 8.792 6.851 2.986 1.00 0.00 N ATOM 0 H ARG A 7 2.632 9.196 0.835 1.00 0.00 H new ATOM 0 HA ARG A 7 1.281 6.573 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.535 5.854 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.742 7.522 -0.210 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.300 8.187 2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.968 6.566 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.835 5.649 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.123 7.224 0.602 1.00 0.00 H new ATOM 0 HE ARG A 7 6.161 7.041 3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.214 9.250 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.954 9.042 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.626 5.957 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.745 7.195 2.869 1.00 0.00 H new ATOM 128 N CYS A 8 1.187 5.629 2.679 1.00 0.00 N ATOM 129 CA CYS A 8 0.875 5.229 4.081 1.00 0.00 C ATOM 130 C CYS A 8 2.144 4.730 4.782 1.00 0.00 C ATOM 131 O CYS A 8 2.824 3.856 4.282 1.00 0.00 O ATOM 132 CB CYS A 8 -0.146 4.098 3.952 1.00 0.00 C ATOM 133 SG CYS A 8 -1.807 4.801 3.799 1.00 0.00 S ATOM 0 H CYS A 8 1.005 4.916 1.973 1.00 0.00 H new ATOM 0 HA CYS A 8 0.490 6.060 4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.083 3.485 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.094 3.446 4.824 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.453 4.185 2.854 1.00 0.00 H new ATOM 138 N PRO A 9 2.419 5.304 5.923 1.00 0.00 N ATOM 139 CA PRO A 9 3.619 4.913 6.701 1.00 0.00 C ATOM 140 C PRO A 9 3.412 3.543 7.356 1.00 0.00 C ATOM 141 O PRO A 9 2.303 3.059 7.465 1.00 0.00 O ATOM 142 CB PRO A 9 3.732 6.007 7.759 1.00 0.00 C ATOM 143 CG PRO A 9 2.345 6.543 7.912 1.00 0.00 C ATOM 144 CD PRO A 9 1.649 6.361 6.588 1.00 0.00 C ATOM 0 HA PRO A 9 4.515 4.824 6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.107 5.607 8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.425 6.788 7.446 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.813 6.014 8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.368 7.596 8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.607 6.071 6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.651 7.283 6.006 1.00 0.00 H new ATOM 152 N LYS A 10 4.470 2.918 7.794 1.00 0.00 N ATOM 153 CA LYS A 10 4.332 1.583 8.443 1.00 0.00 C ATOM 154 C LYS A 10 3.501 1.703 9.724 1.00 0.00 C ATOM 155 O LYS A 10 2.818 0.780 10.122 1.00 0.00 O ATOM 156 CB LYS A 10 5.763 1.153 8.772 1.00 0.00 C ATOM 157 CG LYS A 10 6.364 2.121 9.792 1.00 0.00 C ATOM 158 CD LYS A 10 7.762 1.642 10.188 1.00 0.00 C ATOM 159 CE LYS A 10 7.931 1.757 11.704 1.00 0.00 C ATOM 160 NZ LYS A 10 6.968 0.773 12.274 1.00 0.00 N ATOM 0 H LYS A 10 5.424 3.274 7.731 1.00 0.00 H new ATOM 0 HA LYS A 10 3.826 0.861 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.767 0.139 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.368 1.141 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.418 3.124 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.725 2.180 10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.907 0.609 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.520 2.239 9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.953 1.529 12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.714 2.768 12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.411 0.277 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.117 1.271 12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.703 0.083 11.543 1.00 0.00 H new ATOM 174 N GLN A 11 3.557 2.834 10.372 1.00 0.00 N ATOM 175 CA GLN A 11 2.774 3.015 11.628 1.00 0.00 C ATOM 176 C GLN A 11 1.273 2.898 11.341 1.00 0.00 C ATOM 177 O GLN A 11 0.493 2.554 12.206 1.00 0.00 O ATOM 178 CB GLN A 11 3.119 4.425 12.109 1.00 0.00 C ATOM 179 CG GLN A 11 2.906 4.517 13.621 1.00 0.00 C ATOM 180 CD GLN A 11 4.238 4.295 14.339 1.00 0.00 C ATOM 181 OE1 GLN A 11 4.926 5.240 14.674 1.00 0.00 O ATOM 182 NE2 GLN A 11 4.636 3.077 14.589 1.00 0.00 N ATOM 0 H GLN A 11 4.111 3.641 10.086 1.00 0.00 H new ATOM 0 HA GLN A 11 3.013 2.258 12.375 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.154 4.661 11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.494 5.158 11.598 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.498 5.493 13.883 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.179 3.771 13.942 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.059 2.284 14.308 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.524 2.918 15.065 1.00 0.00 H new ATOM 191 N TYR A 12 0.864 3.185 10.136 1.00 0.00 N ATOM 192 CA TYR A 12 -0.586 3.092 9.801 1.00 0.00 C ATOM 193 C TYR A 12 -0.826 1.976 8.781 1.00 0.00 C ATOM 194 O TYR A 12 -1.913 1.823 8.259 1.00 0.00 O ATOM 195 CB TYR A 12 -0.943 4.452 9.202 1.00 0.00 C ATOM 196 CG TYR A 12 -1.668 5.280 10.235 1.00 0.00 C ATOM 197 CD1 TYR A 12 -3.007 5.006 10.534 1.00 0.00 C ATOM 198 CD2 TYR A 12 -1.002 6.321 10.892 1.00 0.00 C ATOM 199 CE1 TYR A 12 -3.681 5.773 11.493 1.00 0.00 C ATOM 200 CE2 TYR A 12 -1.675 7.087 11.850 1.00 0.00 C ATOM 201 CZ TYR A 12 -3.015 6.814 12.151 1.00 0.00 C ATOM 202 OH TYR A 12 -3.679 7.568 13.095 1.00 0.00 O ATOM 0 H TYR A 12 1.469 3.479 9.370 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.196 2.858 10.674 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.039 4.967 8.876 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.570 4.320 8.320 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.521 4.203 10.026 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.031 6.533 10.660 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.714 5.561 11.725 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.161 7.889 12.358 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.073 8.248 13.456 1.00 0.00 H new ATOM 212 N LYS A 13 0.177 1.194 8.495 1.00 0.00 N ATOM 213 CA LYS A 13 0.000 0.087 7.511 1.00 0.00 C ATOM 214 C LYS A 13 -0.441 -1.190 8.230 1.00 0.00 C ATOM 215 O LYS A 13 0.115 -2.252 8.029 1.00 0.00 O ATOM 216 CB LYS A 13 1.376 -0.105 6.874 1.00 0.00 C ATOM 217 CG LYS A 13 1.313 0.283 5.396 1.00 0.00 C ATOM 218 CD LYS A 13 2.715 0.650 4.906 1.00 0.00 C ATOM 219 CE LYS A 13 3.497 -0.628 4.592 1.00 0.00 C ATOM 220 NZ LYS A 13 4.927 -0.266 4.804 1.00 0.00 N ATOM 0 H LYS A 13 1.111 1.272 8.899 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.763 0.315 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.116 0.507 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.694 -1.143 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.916 -0.544 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.636 1.126 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.648 1.276 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.237 1.231 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.196 -1.446 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.321 -0.957 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.527 -1.092 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.187 0.511 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.066 0.037 5.789 1.00 0.00 H new ATOM 234 N HIS A 14 -1.444 -1.101 9.059 1.00 0.00 N ATOM 235 CA HIS A 14 -1.909 -2.314 9.785 1.00 0.00 C ATOM 236 C HIS A 14 -2.913 -3.071 8.920 1.00 0.00 C ATOM 237 O HIS A 14 -3.252 -4.206 9.191 1.00 0.00 O ATOM 238 CB HIS A 14 -2.575 -1.786 11.055 1.00 0.00 C ATOM 239 CG HIS A 14 -1.521 -1.513 12.093 1.00 0.00 C ATOM 240 ND1 HIS A 14 -1.403 -2.274 13.245 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.525 -0.570 12.162 1.00 0.00 C ATOM 242 CE1 HIS A 14 -0.369 -1.781 13.951 1.00 0.00 C ATOM 243 NE2 HIS A 14 0.201 -0.742 13.337 1.00 0.00 N ATOM 0 H HIS A 14 -1.959 -0.245 9.264 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.098 -3.004 10.017 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.131 -0.874 10.836 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.293 -2.514 11.432 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.334 0.189 11.418 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.040 -2.178 14.900 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.997 -0.192 13.659 1.00 0.00 H new ATOM 251 N TYR A 15 -3.363 -2.462 7.861 1.00 0.00 N ATOM 252 CA TYR A 15 -4.312 -3.161 6.956 1.00 0.00 C ATOM 253 C TYR A 15 -3.513 -3.967 5.927 1.00 0.00 C ATOM 254 O TYR A 15 -4.057 -4.766 5.191 1.00 0.00 O ATOM 255 CB TYR A 15 -5.137 -2.063 6.275 1.00 0.00 C ATOM 256 CG TYR A 15 -4.230 -0.970 5.758 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.492 -1.167 4.585 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.134 0.242 6.451 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.656 -0.151 4.106 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.299 1.258 5.972 1.00 0.00 C ATOM 261 CZ TYR A 15 -2.560 1.062 4.800 1.00 0.00 C ATOM 262 OH TYR A 15 -1.738 2.065 4.328 1.00 0.00 O ATOM 0 H TYR A 15 -3.115 -1.512 7.584 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.964 -3.854 7.488 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.711 -2.488 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.854 -1.646 6.982 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.567 -2.102 4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.704 0.393 7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.085 -0.303 3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.225 2.193 6.507 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.262 2.883 4.196 1.00 0.00 H new ATOM 272 N CYS A 16 -2.218 -3.766 5.880 1.00 0.00 N ATOM 273 CA CYS A 16 -1.377 -4.524 4.909 1.00 0.00 C ATOM 274 C CYS A 16 0.090 -4.496 5.350 1.00 0.00 C ATOM 275 O CYS A 16 0.653 -3.449 5.600 1.00 0.00 O ATOM 276 CB CYS A 16 -1.553 -3.798 3.577 1.00 0.00 C ATOM 277 SG CYS A 16 -2.964 -4.507 2.692 1.00 0.00 S ATOM 0 H CYS A 16 -1.710 -3.110 6.473 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.668 -5.572 4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.714 -2.734 3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.648 -3.891 2.976 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.911 -4.158 1.441 1.00 0.00 H new ATOM 282 N ILE A 17 0.714 -5.638 5.450 1.00 0.00 N ATOM 283 CA ILE A 17 2.142 -5.673 5.877 1.00 0.00 C ATOM 284 C ILE A 17 3.065 -5.505 4.667 1.00 0.00 C ATOM 285 O ILE A 17 3.786 -4.534 4.554 1.00 0.00 O ATOM 286 CB ILE A 17 2.336 -7.051 6.511 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.228 -7.303 7.536 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.696 -7.105 7.209 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.163 -8.796 7.861 1.00 0.00 C ATOM 0 H ILE A 17 0.297 -6.548 5.255 1.00 0.00 H new ATOM 0 HA ILE A 17 2.381 -4.868 6.571 1.00 0.00 H new ATOM 0 HB ILE A 17 2.294 -7.815 5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.421 -6.731 8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.270 -6.964 7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.834 -8.087 7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.486 -6.926 6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.738 -6.340 7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.374 -8.975 8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.950 -9.357 6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.119 -9.121 8.273 1.00 0.00 H new ATOM 301 N LYS A 18 3.052 -6.448 3.764 1.00 0.00 N ATOM 302 CA LYS A 18 3.934 -6.343 2.564 1.00 0.00 C ATOM 303 C LYS A 18 3.206 -5.618 1.427 1.00 0.00 C ATOM 304 O LYS A 18 3.159 -6.089 0.308 1.00 0.00 O ATOM 305 CB LYS A 18 4.247 -7.788 2.170 1.00 0.00 C ATOM 306 CG LYS A 18 2.960 -8.505 1.755 1.00 0.00 C ATOM 307 CD LYS A 18 3.297 -9.922 1.284 1.00 0.00 C ATOM 308 CE LYS A 18 4.457 -9.868 0.287 1.00 0.00 C ATOM 309 NZ LYS A 18 5.667 -10.202 1.088 1.00 0.00 N ATOM 0 H LYS A 18 2.471 -7.285 3.804 1.00 0.00 H new ATOM 0 HA LYS A 18 4.840 -5.773 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.963 -7.803 1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.711 -8.310 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.266 -8.544 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.464 -7.953 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.566 -10.546 2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.424 -10.379 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.313 -10.580 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.543 -8.880 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.453 -10.435 0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.930 -9.386 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.464 -11.019 1.699 1.00 0.00 H new ATOM 323 N GLY A 19 2.641 -4.474 1.703 1.00 0.00 N ATOM 324 CA GLY A 19 1.921 -3.726 0.634 1.00 0.00 C ATOM 325 C GLY A 19 1.810 -2.250 1.020 1.00 0.00 C ATOM 326 O GLY A 19 1.518 -1.914 2.151 1.00 0.00 O ATOM 0 H GLY A 19 2.647 -4.026 2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.452 -3.825 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.927 -4.149 0.488 1.00 0.00 H new ATOM 330 N ARG A 20 2.035 -1.366 0.087 1.00 0.00 N ATOM 331 CA ARG A 20 1.936 0.090 0.393 1.00 0.00 C ATOM 332 C ARG A 20 0.503 0.569 0.149 1.00 0.00 C ATOM 333 O ARG A 20 -0.357 -0.201 -0.228 1.00 0.00 O ATOM 334 CB ARG A 20 2.909 0.764 -0.576 1.00 0.00 C ATOM 335 CG ARG A 20 4.338 0.613 -0.050 1.00 0.00 C ATOM 336 CD ARG A 20 4.859 1.977 0.407 1.00 0.00 C ATOM 337 NE ARG A 20 6.177 1.693 1.040 1.00 0.00 N ATOM 338 CZ ARG A 20 7.230 1.499 0.293 1.00 0.00 C ATOM 339 NH1 ARG A 20 7.860 2.519 -0.222 1.00 0.00 N ATOM 340 NH2 ARG A 20 7.652 0.286 0.063 1.00 0.00 N ATOM 0 H ARG A 20 2.284 -1.590 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 20 2.179 0.322 1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.825 0.314 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.659 1.820 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.359 -0.093 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.983 0.208 -0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.965 2.662 -0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.174 2.445 1.114 1.00 0.00 H new ATOM 0 HE ARG A 20 6.257 1.650 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.530 3.467 -0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.683 2.368 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.159 -0.511 0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.475 0.134 -0.521 1.00 0.00 H new ATOM 354 N CYS A 21 0.229 1.828 0.363 1.00 0.00 N ATOM 355 CA CYS A 21 -1.160 2.325 0.138 1.00 0.00 C ATOM 356 C CYS A 21 -1.174 3.845 -0.037 1.00 0.00 C ATOM 357 O CYS A 21 -0.684 4.583 0.795 1.00 0.00 O ATOM 358 CB CYS A 21 -1.926 1.927 1.399 1.00 0.00 C ATOM 359 SG CYS A 21 -3.543 2.741 1.408 1.00 0.00 S ATOM 0 H CYS A 21 0.899 2.528 0.681 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.601 1.905 -0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.052 0.845 1.434 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.359 2.211 2.286 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.816 3.177 0.214 1.00 0.00 H new ATOM 364 N ARG A 22 -1.744 4.317 -1.113 1.00 0.00 N ATOM 365 CA ARG A 22 -1.806 5.789 -1.342 1.00 0.00 C ATOM 366 C ARG A 22 -3.129 6.340 -0.801 1.00 0.00 C ATOM 367 O ARG A 22 -4.193 6.021 -1.293 1.00 0.00 O ATOM 368 CB ARG A 22 -1.734 5.958 -2.861 1.00 0.00 C ATOM 369 CG ARG A 22 -0.364 5.498 -3.362 1.00 0.00 C ATOM 370 CD ARG A 22 -0.548 4.514 -4.519 1.00 0.00 C ATOM 371 NE ARG A 22 -0.494 5.352 -5.749 1.00 0.00 N ATOM 372 CZ ARG A 22 0.602 5.992 -6.056 1.00 0.00 C ATOM 373 NH1 ARG A 22 1.738 5.626 -5.530 1.00 0.00 N ATOM 374 NH2 ARG A 22 0.560 6.997 -6.888 1.00 0.00 N ATOM 0 H ARG A 22 -2.170 3.746 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.002 6.325 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.522 5.377 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.900 7.001 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.222 6.356 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.191 5.024 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.236 3.757 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.499 3.987 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.313 5.426 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.769 4.841 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.595 6.125 -5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.329 7.283 -7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.416 7.497 -7.128 1.00 0.00 H new ATOM 388 N PHE A 23 -3.072 7.157 0.216 1.00 0.00 N ATOM 389 CA PHE A 23 -4.329 7.716 0.791 1.00 0.00 C ATOM 390 C PHE A 23 -4.605 9.110 0.220 1.00 0.00 C ATOM 391 O PHE A 23 -3.899 10.058 0.502 1.00 0.00 O ATOM 392 CB PHE A 23 -4.070 7.796 2.296 1.00 0.00 C ATOM 393 CG PHE A 23 -5.384 7.746 3.038 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.383 8.684 2.757 1.00 0.00 C ATOM 395 CD2 PHE A 23 -5.602 6.759 4.008 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.602 8.637 3.446 1.00 0.00 C ATOM 397 CE2 PHE A 23 -6.820 6.712 4.697 1.00 0.00 C ATOM 398 CZ PHE A 23 -7.819 7.650 4.416 1.00 0.00 C ATOM 0 H PHE A 23 -2.212 7.461 0.672 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.198 7.102 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.432 6.970 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.540 8.718 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.215 9.444 2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.831 6.035 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.374 9.361 3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.988 5.952 5.445 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.758 7.613 4.947 1.00 0.00 H new ATOM 408 N VAL A 24 -5.631 9.243 -0.576 1.00 0.00 N ATOM 409 CA VAL A 24 -5.952 10.579 -1.158 1.00 0.00 C ATOM 410 C VAL A 24 -6.782 11.396 -0.165 1.00 0.00 C ATOM 411 O VAL A 24 -7.881 11.017 0.199 1.00 0.00 O ATOM 412 CB VAL A 24 -6.763 10.281 -2.417 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.881 11.552 -3.259 1.00 0.00 C ATOM 414 CG2 VAL A 24 -6.060 9.194 -3.232 1.00 0.00 C ATOM 0 H VAL A 24 -6.260 8.487 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.057 11.160 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.758 9.937 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.460 11.340 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.382 12.327 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.886 11.895 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.639 8.981 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.065 9.537 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.975 8.288 -2.632 1.00 0.00 H new ATOM 424 N VAL A 25 -6.262 12.514 0.273 1.00 0.00 N ATOM 425 CA VAL A 25 -7.011 13.364 1.245 1.00 0.00 C ATOM 426 C VAL A 25 -8.161 14.091 0.543 1.00 0.00 C ATOM 427 O VAL A 25 -9.318 13.830 0.806 1.00 0.00 O ATOM 428 CB VAL A 25 -5.984 14.368 1.767 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.548 15.085 2.995 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.701 13.628 2.153 1.00 0.00 C ATOM 0 H VAL A 25 -5.349 12.875 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.453 12.775 2.049 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.763 15.100 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.815 15.801 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.463 15.611 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.769 14.355 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.967 14.342 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.923 12.897 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.298 13.117 1.278 1.00 0.00 H new ATOM 440 N ALA A 26 -7.852 14.999 -0.348 1.00 0.00 N ATOM 441 CA ALA A 26 -8.935 15.737 -1.065 1.00 0.00 C ATOM 442 C ALA A 26 -10.050 14.764 -1.447 1.00 0.00 C ATOM 443 O ALA A 26 -11.171 14.874 -0.990 1.00 0.00 O ATOM 444 CB ALA A 26 -8.266 16.307 -2.317 1.00 0.00 C ATOM 0 H ALA A 26 -6.901 15.260 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.383 16.522 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.999 16.865 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.453 16.971 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.869 15.491 -2.921 1.00 0.00 H new ATOM 450 N GLU A 27 -9.743 13.796 -2.263 1.00 0.00 N ATOM 451 CA GLU A 27 -10.773 12.796 -2.656 1.00 0.00 C ATOM 452 C GLU A 27 -10.607 11.545 -1.792 1.00 0.00 C ATOM 453 O GLU A 27 -9.890 10.632 -2.148 1.00 0.00 O ATOM 454 CB GLU A 27 -10.489 12.483 -4.125 1.00 0.00 C ATOM 455 CG GLU A 27 -11.807 12.206 -4.852 1.00 0.00 C ATOM 456 CD GLU A 27 -12.578 13.517 -5.031 1.00 0.00 C ATOM 457 OE1 GLU A 27 -13.013 14.066 -4.032 1.00 0.00 O ATOM 458 OE2 GLU A 27 -12.719 13.947 -6.164 1.00 0.00 O ATOM 0 H GLU A 27 -8.821 13.654 -2.676 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.792 13.158 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.972 13.321 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.830 11.618 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.610 11.752 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.406 11.495 -4.283 1.00 0.00 H new ATOM 465 N GLN A 28 -11.251 11.514 -0.652 1.00 0.00 N ATOM 466 CA GLN A 28 -11.131 10.339 0.264 1.00 0.00 C ATOM 467 C GLN A 28 -10.991 9.039 -0.529 1.00 0.00 C ATOM 468 O GLN A 28 -11.966 8.414 -0.895 1.00 0.00 O ATOM 469 CB GLN A 28 -12.432 10.336 1.068 1.00 0.00 C ATOM 470 CG GLN A 28 -12.300 11.290 2.256 1.00 0.00 C ATOM 471 CD GLN A 28 -12.288 10.485 3.558 1.00 0.00 C ATOM 472 OE1 GLN A 28 -11.786 9.380 3.598 1.00 0.00 O ATOM 473 NE2 GLN A 28 -12.823 10.997 4.632 1.00 0.00 N ATOM 0 H GLN A 28 -11.860 12.259 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.249 10.408 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.264 10.641 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.652 9.328 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.383 11.873 2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.129 11.998 2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.245 11.925 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.819 10.469 5.505 1.00 0.00 H new ATOM 482 N THR A 29 -9.781 8.625 -0.799 1.00 0.00 N ATOM 483 CA THR A 29 -9.585 7.362 -1.570 1.00 0.00 C ATOM 484 C THR A 29 -8.351 6.610 -1.065 1.00 0.00 C ATOM 485 O THR A 29 -7.279 6.729 -1.625 1.00 0.00 O ATOM 486 CB THR A 29 -9.387 7.808 -3.019 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.628 8.248 -3.550 1.00 0.00 O ATOM 488 CG2 THR A 29 -8.863 6.635 -3.849 1.00 0.00 C ATOM 0 H THR A 29 -8.924 9.104 -0.521 1.00 0.00 H new ATOM 0 HA THR A 29 -10.430 6.682 -1.464 1.00 0.00 H new ATOM 0 HB THR A 29 -8.666 8.625 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.797 9.171 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.722 6.954 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.911 6.297 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.582 5.817 -3.817 1.00 0.00 H new ATOM 496 N PRO A 30 -8.550 5.856 -0.020 1.00 0.00 N ATOM 497 CA PRO A 30 -7.446 5.065 0.572 1.00 0.00 C ATOM 498 C PRO A 30 -7.182 3.806 -0.262 1.00 0.00 C ATOM 499 O PRO A 30 -7.681 2.740 0.035 1.00 0.00 O ATOM 500 CB PRO A 30 -7.977 4.692 1.953 1.00 0.00 C ATOM 501 CG PRO A 30 -9.468 4.726 1.827 1.00 0.00 C ATOM 502 CD PRO A 30 -9.812 5.675 0.705 1.00 0.00 C ATOM 0 HA PRO A 30 -6.503 5.610 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.630 3.703 2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.630 5.395 2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.857 3.729 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.923 5.056 2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.586 5.262 0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.190 6.623 1.088 1.00 0.00 H new ATOM 510 N SER A 31 -6.400 3.920 -1.301 1.00 0.00 N ATOM 511 CA SER A 31 -6.109 2.725 -2.146 1.00 0.00 C ATOM 512 C SER A 31 -4.869 2.001 -1.616 1.00 0.00 C ATOM 513 O SER A 31 -3.868 2.614 -1.307 1.00 0.00 O ATOM 514 CB SER A 31 -5.849 3.281 -3.545 1.00 0.00 C ATOM 515 OG SER A 31 -6.659 4.429 -3.753 1.00 0.00 O ATOM 0 H SER A 31 -5.951 4.785 -1.601 1.00 0.00 H new ATOM 0 HA SER A 31 -6.927 2.005 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.796 3.540 -3.656 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.072 2.524 -4.297 1.00 0.00 H new ATOM 0 HG SER A 31 -7.587 4.222 -3.516 1.00 0.00 H new ATOM 521 N CYS A 32 -4.926 0.702 -1.506 1.00 0.00 N ATOM 522 CA CYS A 32 -3.747 -0.050 -0.990 1.00 0.00 C ATOM 523 C CYS A 32 -3.163 -0.953 -2.082 1.00 0.00 C ATOM 524 O CYS A 32 -3.818 -1.844 -2.583 1.00 0.00 O ATOM 525 CB CYS A 32 -4.286 -0.889 0.170 1.00 0.00 C ATOM 526 SG CYS A 32 -3.063 -2.140 0.633 1.00 0.00 S ATOM 0 H CYS A 32 -5.735 0.130 -1.750 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.945 0.617 -0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.507 -0.248 1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.221 -1.369 -0.119 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.428 -2.715 1.740 1.00 0.00 H new ATOM 531 N VAL A 33 -1.928 -0.732 -2.441 1.00 0.00 N ATOM 532 CA VAL A 33 -1.291 -1.581 -3.487 1.00 0.00 C ATOM 533 C VAL A 33 -0.332 -2.579 -2.832 1.00 0.00 C ATOM 534 O VAL A 33 0.658 -2.203 -2.235 1.00 0.00 O ATOM 535 CB VAL A 33 -0.524 -0.604 -4.379 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.103 -1.313 -5.668 1.00 0.00 C ATOM 537 CG2 VAL A 33 -1.423 0.585 -4.723 1.00 0.00 C ATOM 0 H VAL A 33 -1.332 0.000 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.019 -2.160 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 33 0.362 -0.250 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.444 -0.617 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.537 -2.161 -5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.989 -1.667 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.877 1.282 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.309 0.231 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.724 1.091 -3.806 1.00 0.00 H new ATOM 547 N CYS A 34 -0.623 -3.847 -2.929 1.00 0.00 N ATOM 548 CA CYS A 34 0.267 -4.867 -2.301 1.00 0.00 C ATOM 549 C CYS A 34 1.371 -5.287 -3.275 1.00 0.00 C ATOM 550 O CYS A 34 1.244 -5.140 -4.475 1.00 0.00 O ATOM 551 CB CYS A 34 -0.650 -6.051 -1.989 1.00 0.00 C ATOM 552 SG CYS A 34 -2.148 -5.457 -1.166 1.00 0.00 S ATOM 0 H CYS A 34 -1.438 -4.222 -3.415 1.00 0.00 H new ATOM 0 HA CYS A 34 0.764 -4.485 -1.409 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.911 -6.574 -2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.132 -6.767 -1.351 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.270 -6.042 -0.012 1.00 0.00 H new ATOM 557 N ASP A 35 2.454 -5.811 -2.767 1.00 0.00 N ATOM 558 CA ASP A 35 3.567 -6.242 -3.663 1.00 0.00 C ATOM 559 C ASP A 35 3.035 -7.188 -4.742 1.00 0.00 C ATOM 560 O ASP A 35 2.415 -8.192 -4.454 1.00 0.00 O ATOM 561 CB ASP A 35 4.554 -6.969 -2.747 1.00 0.00 C ATOM 562 CG ASP A 35 5.702 -6.026 -2.385 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.523 -4.827 -2.519 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.742 -6.519 -1.978 1.00 0.00 O ATOM 0 H ASP A 35 2.617 -5.959 -1.771 1.00 0.00 H new ATOM 0 HA ASP A 35 4.035 -5.403 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.047 -7.306 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.942 -7.858 -3.245 1.00 0.00 H new ATOM 569 N GLU A 36 3.271 -6.875 -5.986 1.00 0.00 N ATOM 570 CA GLU A 36 2.775 -7.755 -7.082 1.00 0.00 C ATOM 571 C GLU A 36 3.004 -9.228 -6.730 1.00 0.00 C ATOM 572 O GLU A 36 2.130 -10.057 -6.893 1.00 0.00 O ATOM 573 CB GLU A 36 3.601 -7.365 -8.310 1.00 0.00 C ATOM 574 CG GLU A 36 3.412 -5.873 -8.608 1.00 0.00 C ATOM 575 CD GLU A 36 1.925 -5.520 -8.540 1.00 0.00 C ATOM 576 OE1 GLU A 36 1.404 -5.445 -7.439 1.00 0.00 O ATOM 577 OE2 GLU A 36 1.333 -5.329 -9.589 1.00 0.00 O ATOM 0 H GLU A 36 3.785 -6.049 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 36 1.705 -7.633 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.655 -7.580 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.294 -7.959 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.971 -5.275 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.807 -5.636 -9.596 1.00 0.00 H new ATOM 584 N GLY A 37 4.172 -9.561 -6.254 1.00 0.00 N ATOM 585 CA GLY A 37 4.456 -10.983 -5.899 1.00 0.00 C ATOM 586 C GLY A 37 4.090 -11.242 -4.435 1.00 0.00 C ATOM 587 O GLY A 37 4.866 -11.799 -3.684 1.00 0.00 O ATOM 0 H GLY A 37 4.942 -8.912 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.887 -11.649 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.511 -11.203 -6.063 1.00 0.00 H new ATOM 591 N TYR A 38 2.915 -10.852 -4.021 1.00 0.00 N ATOM 592 CA TYR A 38 2.512 -11.089 -2.603 1.00 0.00 C ATOM 593 C TYR A 38 1.286 -12.009 -2.539 1.00 0.00 C ATOM 594 O TYR A 38 0.543 -12.137 -3.491 1.00 0.00 O ATOM 595 CB TYR A 38 2.200 -9.694 -2.032 1.00 0.00 C ATOM 596 CG TYR A 38 0.726 -9.364 -2.191 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.152 -9.285 -3.468 1.00 0.00 C ATOM 598 CD2 TYR A 38 -0.064 -9.142 -1.056 1.00 0.00 C ATOM 599 CE1 TYR A 38 -1.208 -8.984 -3.607 1.00 0.00 C ATOM 600 CE2 TYR A 38 -1.424 -8.841 -1.197 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.996 -8.762 -2.472 1.00 0.00 C ATOM 602 OH TYR A 38 -3.336 -8.467 -2.611 1.00 0.00 O ATOM 0 H TYR A 38 2.219 -10.382 -4.599 1.00 0.00 H new ATOM 0 HA TYR A 38 3.294 -11.586 -2.029 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.474 -9.658 -0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.803 -8.943 -2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.759 -9.456 -4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.376 -9.203 -0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.649 -8.923 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.032 -8.670 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.511 -7.568 -2.263 1.00 0.00 H new ATOM 612 N ILE A 39 1.068 -12.645 -1.420 1.00 0.00 N ATOM 613 CA ILE A 39 -0.111 -13.549 -1.291 1.00 0.00 C ATOM 614 C ILE A 39 -0.709 -13.439 0.114 1.00 0.00 C ATOM 615 O ILE A 39 -0.019 -13.165 1.076 1.00 0.00 O ATOM 616 CB ILE A 39 0.433 -14.956 -1.533 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.178 -14.996 -2.870 1.00 0.00 C ATOM 618 CG2 ILE A 39 -0.728 -15.951 -1.568 1.00 0.00 C ATOM 619 CD1 ILE A 39 0.191 -14.757 -4.014 1.00 0.00 C ATOM 0 H ILE A 39 1.656 -12.578 -0.589 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.903 -13.295 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 39 1.118 -15.222 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.959 -14.236 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.669 -15.961 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.341 -16.955 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.258 -15.925 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.413 -15.683 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.723 -14.786 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.574 -15.533 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.280 -13.782 -3.891 1.00 0.00 H new ATOM 631 N GLY A 40 -1.991 -13.653 0.237 1.00 0.00 N ATOM 632 CA GLY A 40 -2.638 -13.561 1.577 1.00 0.00 C ATOM 633 C GLY A 40 -3.689 -12.450 1.561 1.00 0.00 C ATOM 634 O GLY A 40 -3.778 -11.680 0.625 1.00 0.00 O ATOM 0 H GLY A 40 -2.618 -13.888 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.103 -14.513 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.888 -13.356 2.341 1.00 0.00 H new ATOM 638 N ALA A 41 -4.485 -12.359 2.590 1.00 0.00 N ATOM 639 CA ALA A 41 -5.531 -11.296 2.633 1.00 0.00 C ATOM 640 C ALA A 41 -4.928 -9.976 3.116 1.00 0.00 C ATOM 641 O ALA A 41 -5.135 -8.934 2.527 1.00 0.00 O ATOM 642 CB ALA A 41 -6.572 -11.807 3.628 1.00 0.00 C ATOM 0 H ALA A 41 -4.457 -12.974 3.403 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.964 -11.104 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.378 -11.079 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.977 -12.756 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.104 -11.951 4.602 1.00 0.00 H new ATOM 648 N ARG A 42 -4.183 -10.010 4.188 1.00 0.00 N ATOM 649 CA ARG A 42 -3.569 -8.755 4.709 1.00 0.00 C ATOM 650 C ARG A 42 -2.116 -8.642 4.241 1.00 0.00 C ATOM 651 O ARG A 42 -1.308 -7.971 4.851 1.00 0.00 O ATOM 652 CB ARG A 42 -3.636 -8.886 6.231 1.00 0.00 C ATOM 653 CG ARG A 42 -5.059 -8.588 6.705 1.00 0.00 C ATOM 654 CD ARG A 42 -5.027 -8.130 8.164 1.00 0.00 C ATOM 655 NE ARG A 42 -5.491 -9.309 8.946 1.00 0.00 N ATOM 656 CZ ARG A 42 -4.647 -10.251 9.269 1.00 0.00 C ATOM 657 NH1 ARG A 42 -3.647 -9.985 10.065 1.00 0.00 N ATOM 658 NH2 ARG A 42 -4.802 -11.457 8.795 1.00 0.00 N ATOM 0 H ARG A 42 -3.973 -10.852 4.725 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.085 -7.863 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.343 -9.891 6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.933 -8.195 6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.507 -7.815 6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.680 -9.478 6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.023 -7.829 8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.678 -7.270 8.322 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.468 -9.381 9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.526 -9.042 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.987 -10.720 10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.583 -11.664 8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.142 -12.193 9.048 1.00 0.00 H new ATOM 672 N CYS A 43 -1.778 -9.293 3.161 1.00 0.00 N ATOM 673 CA CYS A 43 -0.377 -9.219 2.653 1.00 0.00 C ATOM 674 C CYS A 43 0.593 -9.772 3.700 1.00 0.00 C ATOM 675 O CYS A 43 1.276 -9.032 4.378 1.00 0.00 O ATOM 676 CB CYS A 43 -0.118 -7.732 2.415 1.00 0.00 C ATOM 677 SG CYS A 43 -1.499 -7.020 1.490 1.00 0.00 S ATOM 0 H CYS A 43 -2.410 -9.872 2.609 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.235 -9.806 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.000 -7.216 3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.812 -7.598 1.862 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.933 -5.961 2.106 1.00 0.00 H new ATOM 682 N GLU A 44 0.656 -11.069 3.837 1.00 0.00 N ATOM 683 CA GLU A 44 1.580 -11.667 4.842 1.00 0.00 C ATOM 684 C GLU A 44 2.560 -12.626 4.161 1.00 0.00 C ATOM 685 O GLU A 44 3.727 -12.673 4.490 1.00 0.00 O ATOM 686 CB GLU A 44 0.672 -12.426 5.809 1.00 0.00 C ATOM 687 CG GLU A 44 1.343 -12.506 7.180 1.00 0.00 C ATOM 688 CD GLU A 44 2.145 -13.805 7.282 1.00 0.00 C ATOM 689 OE1 GLU A 44 2.635 -14.257 6.260 1.00 0.00 O ATOM 690 OE2 GLU A 44 2.255 -14.326 8.380 1.00 0.00 O ATOM 0 H GLU A 44 0.108 -11.739 3.297 1.00 0.00 H new ATOM 0 HA GLU A 44 2.180 -10.912 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.291 -11.922 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.475 -13.429 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.000 -11.648 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.590 -12.468 7.968 1.00 0.00 H new ATOM 697 N ARG A 45 2.092 -13.394 3.215 1.00 0.00 N ATOM 698 CA ARG A 45 3.000 -14.351 2.519 1.00 0.00 C ATOM 699 C ARG A 45 3.495 -13.749 1.200 1.00 0.00 C ATOM 700 O ARG A 45 3.148 -12.641 0.844 1.00 0.00 O ATOM 701 CB ARG A 45 2.141 -15.589 2.257 1.00 0.00 C ATOM 702 CG ARG A 45 1.519 -16.063 3.573 1.00 0.00 C ATOM 703 CD ARG A 45 0.450 -17.119 3.280 1.00 0.00 C ATOM 704 NE ARG A 45 1.205 -18.389 3.091 1.00 0.00 N ATOM 705 CZ ARG A 45 0.578 -19.471 2.722 1.00 0.00 C ATOM 706 NH1 ARG A 45 -0.240 -19.437 1.706 1.00 0.00 N ATOM 707 NH2 ARG A 45 0.768 -20.589 3.369 1.00 0.00 N ATOM 0 H ARG A 45 1.124 -13.401 2.894 1.00 0.00 H new ATOM 0 HA ARG A 45 3.885 -14.586 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.358 -15.356 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.749 -16.382 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.289 -16.480 4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.077 -15.220 4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.260 -17.201 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.123 -16.864 2.389 1.00 0.00 H new ATOM 0 HE ARG A 45 2.212 -18.412 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.389 -18.564 1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.730 -20.284 1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.407 -20.616 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.277 -21.435 3.080 1.00 0.00 H new ATOM 721 N VAL A 46 4.306 -14.471 0.476 1.00 0.00 N ATOM 722 CA VAL A 46 4.825 -13.937 -0.816 1.00 0.00 C ATOM 723 C VAL A 46 4.917 -15.059 -1.854 1.00 0.00 C ATOM 724 O VAL A 46 5.229 -16.190 -1.534 1.00 0.00 O ATOM 725 CB VAL A 46 6.215 -13.396 -0.488 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.012 -14.461 0.265 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.941 -13.040 -1.787 1.00 0.00 C ATOM 0 H VAL A 46 4.631 -15.406 0.722 1.00 0.00 H new ATOM 0 HA VAL A 46 4.176 -13.169 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 46 6.122 -12.505 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.004 -14.075 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.495 -14.717 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.106 -15.352 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.933 -12.654 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.035 -13.931 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.373 -12.281 -2.325 1.00 0.00 H new ATOM 737 N ASP A 47 4.649 -14.755 -3.094 1.00 0.00 N ATOM 738 CA ASP A 47 4.723 -15.806 -4.151 1.00 0.00 C ATOM 739 C ASP A 47 6.076 -15.738 -4.868 1.00 0.00 C ATOM 740 O ASP A 47 7.053 -16.308 -4.424 1.00 0.00 O ATOM 741 CB ASP A 47 3.581 -15.481 -5.114 1.00 0.00 C ATOM 742 CG ASP A 47 3.648 -16.419 -6.321 1.00 0.00 C ATOM 743 OD1 ASP A 47 3.982 -17.576 -6.129 1.00 0.00 O ATOM 744 OD2 ASP A 47 3.363 -15.963 -7.416 1.00 0.00 O ATOM 0 H ASP A 47 4.382 -13.827 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 47 4.633 -16.813 -3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.622 -15.591 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.652 -14.444 -5.442 1.00 0.00 H new ATOM 749 N LEU A 48 6.145 -15.042 -5.973 1.00 0.00 N ATOM 750 CA LEU A 48 7.438 -14.940 -6.710 1.00 0.00 C ATOM 751 C LEU A 48 7.489 -13.629 -7.498 1.00 0.00 C ATOM 752 O LEU A 48 6.528 -12.886 -7.547 1.00 0.00 O ATOM 753 CB LEU A 48 7.453 -16.140 -7.658 1.00 0.00 C ATOM 754 CG LEU A 48 8.685 -17.001 -7.372 1.00 0.00 C ATOM 755 CD1 LEU A 48 8.263 -18.265 -6.620 1.00 0.00 C ATOM 756 CD2 LEU A 48 9.350 -17.395 -8.692 1.00 0.00 C ATOM 0 H LEU A 48 5.363 -14.541 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 48 8.298 -14.944 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.546 -16.730 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.467 -15.799 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 48 9.389 -16.433 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.141 -18.878 -6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.789 -17.987 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.558 -18.832 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.228 -18.008 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.645 -17.961 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.652 -16.496 -9.230 1.00 0.00 H new ATOM 768 N PHE A 49 8.601 -13.335 -8.114 1.00 0.00 N ATOM 769 CA PHE A 49 8.707 -12.070 -8.894 1.00 0.00 C ATOM 770 C PHE A 49 8.281 -12.302 -10.347 1.00 0.00 C ATOM 771 O PHE A 49 7.634 -11.472 -10.953 1.00 0.00 O ATOM 772 CB PHE A 49 10.184 -11.682 -8.823 1.00 0.00 C ATOM 773 CG PHE A 49 10.322 -10.362 -8.102 1.00 0.00 C ATOM 774 CD1 PHE A 49 10.373 -10.329 -6.703 1.00 0.00 C ATOM 775 CD2 PHE A 49 10.397 -9.171 -8.833 1.00 0.00 C ATOM 776 CE1 PHE A 49 10.500 -9.105 -6.035 1.00 0.00 C ATOM 777 CE2 PHE A 49 10.524 -7.946 -8.166 1.00 0.00 C ATOM 778 CZ PHE A 49 10.575 -7.914 -6.766 1.00 0.00 C ATOM 0 H PHE A 49 9.440 -13.915 -8.111 1.00 0.00 H new ATOM 0 HA PHE A 49 8.060 -11.287 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.750 -12.454 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.600 -11.605 -9.828 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.314 -11.248 -6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.357 -9.196 -9.912 1.00 0.00 H new ATOM 0 HE1 PHE A 49 10.540 -9.080 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.583 -7.027 -8.730 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.672 -6.970 -6.251 1.00 0.00 H new ATOM 788 N TYR A 50 8.640 -13.423 -10.910 1.00 0.00 N ATOM 789 CA TYR A 50 8.253 -13.703 -12.323 1.00 0.00 C ATOM 790 C TYR A 50 6.760 -13.432 -12.527 1.00 0.00 C ATOM 791 O TYR A 50 6.408 -12.928 -13.581 1.00 0.00 O ATOM 792 CB TYR A 50 8.563 -15.185 -12.534 1.00 0.00 C ATOM 793 CG TYR A 50 10.017 -15.346 -12.911 1.00 0.00 C ATOM 794 CD1 TYR A 50 10.988 -15.481 -11.912 1.00 0.00 C ATOM 795 CD2 TYR A 50 10.393 -15.360 -14.260 1.00 0.00 C ATOM 796 CE1 TYR A 50 12.336 -15.629 -12.262 1.00 0.00 C ATOM 797 CE2 TYR A 50 11.740 -15.509 -14.609 1.00 0.00 C ATOM 798 CZ TYR A 50 12.712 -15.643 -13.609 1.00 0.00 C ATOM 799 OH TYR A 50 14.040 -15.788 -13.954 1.00 0.00 O ATOM 800 OXT TYR A 50 5.994 -13.733 -11.626 1.00 0.00 O ATOM 0 H TYR A 50 9.183 -14.156 -10.454 1.00 0.00 H new ATOM 0 HA TYR A 50 8.790 -13.070 -13.030 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.348 -15.746 -11.624 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.925 -15.593 -13.318 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.698 -15.471 -10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.644 -15.256 -15.031 1.00 0.00 H new ATOM 0 HE1 TYR A 50 13.086 -15.732 -11.491 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.030 -15.521 -15.649 1.00 0.00 H new ATOM 0 HH TYR A 50 14.127 -15.778 -14.930 1.00 0.00 H new TER 810 TYR A 50