USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 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 44 ASN : amide:sc= -0.972! K(o=-0.57!,f=-3.8) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 143:sc= 0.406 (180deg=0.0185) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.0108 USER MOD Set 3.1: A 16 ASN : amide:sc= -0.0282 K(o=0.12,f=-3.8!) USER MOD Set 3.2: A 22 SER OG : rot -28:sc= 0.144 USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.656 (180deg=0.0152) USER MOD Single : A 7 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.3!) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0.927 (180deg=0.814) USER MOD Single : A 14 TYR OH : rot 2:sc= 1.26 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc=-0.00517 X(o=-0.0052,f=-0.29) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.000575 USER MOD Single : A 52 ASN : amide:sc= 0.582 K(o=0.58,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.249 3.266 -4.858 1.00 25.00 N ATOM 2 CA GLY A 1 5.829 3.384 -4.444 1.00 25.00 C ATOM 3 C GLY A 1 4.962 2.385 -5.160 1.00 25.00 C ATOM 4 O GLY A 1 5.490 1.458 -5.753 1.00 25.00 O ATOM 0 H1 GLY A 1 7.864 3.380 -4.027 1.00 25.00 H new ATOM 0 H2 GLY A 1 7.410 2.330 -5.282 1.00 25.00 H new ATOM 0 H3 GLY A 1 7.470 4.005 -5.556 1.00 25.00 H new ATOM 0 HA2 GLY A 1 5.749 3.232 -3.368 1.00 25.00 H new ATOM 0 HA3 GLY A 1 5.471 4.393 -4.651 1.00 25.00 H new ATOM 10 N SER A 2 3.645 2.556 -5.122 1.00 25.00 N ATOM 11 CA SER A 2 2.737 1.628 -5.804 1.00 25.00 C ATOM 12 C SER A 2 2.944 1.667 -7.322 1.00 25.00 C ATOM 13 O SER A 2 2.978 2.750 -7.917 1.00 25.00 O ATOM 14 CB SER A 2 1.281 1.988 -5.510 1.00 25.00 C ATOM 15 OG SER A 2 0.416 1.166 -6.271 1.00 25.00 O ATOM 0 H SER A 2 3.181 3.321 -4.632 1.00 25.00 H new ATOM 0 HA SER A 2 2.959 0.628 -5.431 1.00 25.00 H new ATOM 0 HB2 SER A 2 1.074 1.862 -4.447 1.00 25.00 H new ATOM 0 HB3 SER A 2 1.102 3.037 -5.748 1.00 25.00 H new ATOM 0 HG SER A 2 -0.515 1.402 -6.076 1.00 25.00 H new ATOM 21 N PRO A 3 3.080 0.498 -7.975 1.00 25.00 N ATOM 22 CA PRO A 3 3.255 0.580 -9.430 1.00 25.00 C ATOM 23 C PRO A 3 1.967 0.918 -10.185 1.00 25.00 C ATOM 24 O PRO A 3 2.010 1.516 -11.250 1.00 25.00 O ATOM 25 CB PRO A 3 3.743 -0.827 -9.789 1.00 25.00 C ATOM 26 CG PRO A 3 3.100 -1.709 -8.779 1.00 25.00 C ATOM 27 CD PRO A 3 3.110 -0.900 -7.498 1.00 25.00 C ATOM 0 HA PRO A 3 3.938 1.382 -9.711 1.00 25.00 H new ATOM 0 HB2 PRO A 3 3.450 -1.103 -10.802 1.00 25.00 H new ATOM 0 HB3 PRO A 3 4.830 -0.895 -9.742 1.00 25.00 H new ATOM 0 HG2 PRO A 3 2.084 -1.972 -9.073 1.00 25.00 H new ATOM 0 HG3 PRO A 3 3.650 -2.643 -8.662 1.00 25.00 H new ATOM 0 HD2 PRO A 3 2.248 -1.129 -6.871 1.00 25.00 H new ATOM 0 HD3 PRO A 3 4.000 -1.102 -6.902 1.00 25.00 H new ATOM 35 N THR A 4 0.822 0.546 -9.629 1.00 25.00 N ATOM 36 CA THR A 4 -0.462 0.732 -10.309 1.00 25.00 C ATOM 37 C THR A 4 -0.923 2.180 -10.272 1.00 25.00 C ATOM 38 O THR A 4 -1.717 2.612 -11.091 1.00 25.00 O ATOM 39 CB THR A 4 -1.555 -0.118 -9.646 1.00 25.00 C ATOM 40 OG1 THR A 4 -1.612 0.191 -8.250 1.00 25.00 O ATOM 41 CG2 THR A 4 -1.245 -1.592 -9.779 1.00 25.00 C ATOM 0 H THR A 4 0.751 0.113 -8.708 1.00 25.00 H new ATOM 0 HA THR A 4 -0.306 0.426 -11.344 1.00 25.00 H new ATOM 0 HB THR A 4 -2.502 0.104 -10.138 1.00 25.00 H new ATOM 0 HG1 THR A 4 -2.310 -0.349 -7.824 1.00 25.00 H new ATOM 0 HG21 THR A 4 -2.033 -2.174 -9.302 1.00 25.00 H new ATOM 0 HG22 THR A 4 -1.186 -1.858 -10.834 1.00 25.00 H new ATOM 0 HG23 THR A 4 -0.292 -1.808 -9.297 1.00 25.00 H new ATOM 49 N PHE A 5 -0.395 2.940 -9.328 1.00 25.00 N ATOM 50 CA PHE A 5 -0.776 4.338 -9.171 1.00 25.00 C ATOM 51 C PHE A 5 -0.365 5.179 -10.376 1.00 25.00 C ATOM 52 O PHE A 5 -1.015 6.170 -10.697 1.00 25.00 O ATOM 53 CB PHE A 5 -0.117 4.879 -7.913 1.00 25.00 C ATOM 54 CG PHE A 5 -0.473 6.303 -7.600 1.00 25.00 C ATOM 55 CD1 PHE A 5 0.369 7.348 -8.016 1.00 25.00 C ATOM 56 CD2 PHE A 5 -1.626 6.609 -6.855 1.00 25.00 C ATOM 57 CE1 PHE A 5 0.094 8.690 -7.646 1.00 25.00 C ATOM 58 CE2 PHE A 5 -1.932 7.950 -6.513 1.00 25.00 C ATOM 59 CZ PHE A 5 -1.067 8.987 -6.904 1.00 25.00 C ATOM 0 H PHE A 5 0.300 2.614 -8.656 1.00 25.00 H new ATOM 0 HA PHE A 5 -1.862 4.397 -9.093 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -0.400 4.251 -7.068 1.00 25.00 H new ATOM 0 HB3 PHE A 5 0.965 4.801 -8.020 1.00 25.00 H new ATOM 0 HD1 PHE A 5 1.234 7.128 -8.624 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -2.285 5.814 -6.540 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.772 9.481 -7.932 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -2.828 8.175 -5.953 1.00 25.00 H new ATOM 0 HZ PHE A 5 -1.292 10.009 -6.636 1.00 25.00 H new ATOM 69 N CYS A 6 0.703 4.773 -11.047 1.00 25.00 N ATOM 70 CA CYS A 6 1.185 5.488 -12.226 1.00 25.00 C ATOM 71 C CYS A 6 0.983 4.666 -13.504 1.00 25.00 C ATOM 72 O CYS A 6 1.496 5.021 -14.562 1.00 25.00 O ATOM 73 CB CYS A 6 2.660 5.840 -12.067 1.00 25.00 C ATOM 74 SG CYS A 6 2.950 7.191 -10.883 1.00 25.00 S ATOM 0 H CYS A 6 1.254 3.952 -10.797 1.00 25.00 H new ATOM 0 HA CYS A 6 0.602 6.405 -12.316 1.00 25.00 H new ATOM 0 HB2 CYS A 6 3.205 4.955 -11.739 1.00 25.00 H new ATOM 0 HB3 CYS A 6 3.066 6.123 -13.038 1.00 25.00 H new ATOM 79 N GLN A 7 0.246 3.568 -13.421 1.00 25.00 N ATOM 80 CA GLN A 7 -0.026 2.773 -14.601 1.00 25.00 C ATOM 81 C GLN A 7 -1.043 3.514 -15.463 1.00 25.00 C ATOM 82 O GLN A 7 -1.980 4.115 -14.947 1.00 25.00 O ATOM 83 CB GLN A 7 -0.559 1.406 -14.215 1.00 25.00 C ATOM 84 CG GLN A 7 0.477 0.309 -14.345 1.00 25.00 C ATOM 85 CD GLN A 7 -0.118 -1.062 -14.131 1.00 25.00 C ATOM 86 OE1 GLN A 7 -0.845 -1.290 -13.185 1.00 25.00 O ATOM 87 NE2 GLN A 7 0.188 -1.980 -15.011 1.00 25.00 N ATOM 0 H GLN A 7 -0.168 3.214 -12.559 1.00 25.00 H new ATOM 0 HA GLN A 7 0.897 2.624 -15.161 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -0.918 1.439 -13.186 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -1.416 1.165 -14.844 1.00 25.00 H new ATOM 0 HG2 GLN A 7 0.932 0.356 -15.334 1.00 25.00 H new ATOM 0 HG3 GLN A 7 1.274 0.475 -13.620 1.00 25.00 H new ATOM 0 HE21 GLN A 7 0.802 -1.752 -15.793 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -0.187 -2.924 -14.915 1.00 25.00 H new ATOM 96 N GLY A 8 -0.832 3.499 -16.773 1.00 25.00 N ATOM 97 CA GLY A 8 -1.726 4.200 -17.686 1.00 25.00 C ATOM 98 C GLY A 8 -1.583 5.708 -17.604 1.00 25.00 C ATOM 99 O GLY A 8 -2.461 6.446 -18.040 1.00 25.00 O ATOM 0 H GLY A 8 -0.057 3.014 -17.224 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -1.524 3.875 -18.707 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -2.756 3.924 -17.462 1.00 25.00 H new ATOM 103 N LYS A 9 -0.477 6.170 -17.032 1.00 25.00 N ATOM 104 CA LYS A 9 -0.221 7.596 -16.861 1.00 25.00 C ATOM 105 C LYS A 9 1.125 7.933 -17.461 1.00 25.00 C ATOM 106 O LYS A 9 2.029 7.108 -17.454 1.00 25.00 O ATOM 107 CB LYS A 9 -0.250 7.957 -15.396 1.00 25.00 C ATOM 108 CG LYS A 9 -1.636 7.833 -14.841 1.00 25.00 C ATOM 109 CD LYS A 9 -1.631 8.317 -13.465 1.00 25.00 C ATOM 110 CE LYS A 9 -2.921 7.940 -12.757 1.00 25.00 C ATOM 111 NZ LYS A 9 -2.846 8.275 -11.306 1.00 25.00 N ATOM 0 H LYS A 9 0.266 5.569 -16.675 1.00 25.00 H new ATOM 0 HA LYS A 9 -0.996 8.170 -17.370 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.427 7.305 -14.843 1.00 25.00 H new ATOM 0 HB3 LYS A 9 0.110 8.977 -15.262 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -2.338 8.411 -15.443 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -1.966 6.795 -14.876 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -0.780 7.896 -12.929 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -1.509 9.400 -13.456 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -3.759 8.467 -13.214 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -3.110 6.874 -12.879 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -3.793 8.202 -10.883 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -2.202 7.612 -10.829 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -2.490 9.245 -11.192 1.00 25.00 H new ATOM 125 N ALA A 10 1.246 9.139 -17.988 1.00 25.00 N ATOM 126 CA ALA A 10 2.513 9.598 -18.529 1.00 25.00 C ATOM 127 C ALA A 10 3.422 9.933 -17.347 1.00 25.00 C ATOM 128 O ALA A 10 2.934 10.244 -16.258 1.00 25.00 O ATOM 129 CB ALA A 10 2.293 10.841 -19.407 1.00 25.00 C ATOM 0 H ALA A 10 0.485 9.816 -18.053 1.00 25.00 H new ATOM 0 HA ALA A 10 2.969 8.828 -19.151 1.00 25.00 H new ATOM 0 HB1 ALA A 10 3.249 11.177 -19.808 1.00 25.00 H new ATOM 0 HB2 ALA A 10 1.622 10.592 -20.229 1.00 25.00 H new ATOM 0 HB3 ALA A 10 1.851 11.637 -18.807 1.00 25.00 H new ATOM 135 N ASP A 11 4.723 9.907 -17.569 1.00 25.00 N ATOM 136 CA ASP A 11 5.664 10.317 -16.533 1.00 25.00 C ATOM 137 C ASP A 11 5.531 11.826 -16.355 1.00 25.00 C ATOM 138 O ASP A 11 5.206 12.545 -17.302 1.00 25.00 O ATOM 139 CB ASP A 11 7.098 9.951 -16.922 1.00 25.00 C ATOM 140 CG ASP A 11 7.418 8.484 -16.671 1.00 25.00 C ATOM 141 OD1 ASP A 11 8.513 8.047 -17.083 1.00 25.00 O ATOM 142 OD2 ASP A 11 6.623 7.771 -16.006 1.00 25.00 O ATOM 0 H ASP A 11 5.153 9.611 -18.445 1.00 25.00 H new ATOM 0 HA ASP A 11 5.439 9.801 -15.600 1.00 25.00 H new ATOM 0 HB2 ASP A 11 7.253 10.177 -17.977 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.793 10.572 -16.357 1.00 25.00 H new ATOM 147 N GLY A 12 5.748 12.299 -15.137 1.00 25.00 N ATOM 148 CA GLY A 12 5.566 13.708 -14.827 1.00 25.00 C ATOM 149 C GLY A 12 5.013 13.869 -13.428 1.00 25.00 C ATOM 150 O GLY A 12 4.897 12.884 -12.694 1.00 25.00 O ATOM 0 H GLY A 12 6.050 11.728 -14.348 1.00 25.00 H new ATOM 0 HA2 GLY A 12 6.518 14.232 -14.912 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.887 14.162 -15.549 1.00 25.00 H new ATOM 154 N LEU A 13 4.684 15.094 -13.038 1.00 25.00 N ATOM 155 CA LEU A 13 4.168 15.352 -11.693 1.00 25.00 C ATOM 156 C LEU A 13 2.642 15.429 -11.688 1.00 25.00 C ATOM 157 O LEU A 13 2.028 15.848 -12.664 1.00 25.00 O ATOM 158 CB LEU A 13 4.742 16.655 -11.136 1.00 25.00 C ATOM 159 CG LEU A 13 6.273 16.803 -11.060 1.00 25.00 C ATOM 160 CD1 LEU A 13 6.606 18.079 -10.288 1.00 25.00 C ATOM 161 CD2 LEU A 13 6.935 15.611 -10.393 1.00 25.00 C ATOM 0 H LEU A 13 4.763 15.923 -13.628 1.00 25.00 H new ATOM 0 HA LEU A 13 4.478 14.520 -11.061 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.358 17.474 -11.744 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.344 16.791 -10.130 1.00 25.00 H new ATOM 0 HG LEU A 13 6.660 16.856 -12.078 1.00 25.00 H new ATOM 0 HD11 LEU A 13 7.688 18.195 -10.227 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.177 18.938 -10.803 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.191 18.015 -9.282 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.014 15.763 -10.364 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.556 15.506 -9.377 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.711 14.707 -10.959 1.00 25.00 H new ATOM 173 N TYR A 14 2.036 15.026 -10.579 1.00 25.00 N ATOM 174 CA TYR A 14 0.575 14.964 -10.459 1.00 25.00 C ATOM 175 C TYR A 14 0.073 15.616 -9.161 1.00 25.00 C ATOM 176 O TYR A 14 0.819 15.696 -8.174 1.00 25.00 O ATOM 177 CB TYR A 14 0.140 13.495 -10.529 1.00 25.00 C ATOM 178 CG TYR A 14 0.235 12.934 -11.922 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.408 12.306 -12.348 1.00 25.00 C ATOM 180 CD2 TYR A 14 -0.840 13.044 -12.828 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.531 11.800 -13.669 1.00 25.00 C ATOM 182 CE2 TYR A 14 -0.728 12.538 -14.151 1.00 25.00 C ATOM 183 CZ TYR A 14 0.461 11.927 -14.558 1.00 25.00 C ATOM 184 OH TYR A 14 0.576 11.454 -15.838 1.00 25.00 O ATOM 0 H TYR A 14 2.535 14.733 -9.739 1.00 25.00 H new ATOM 0 HA TYR A 14 0.133 15.527 -11.281 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.762 12.902 -9.858 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.887 13.406 -10.174 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.235 12.204 -11.661 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.758 13.518 -12.513 1.00 25.00 H new ATOM 0 HE1 TYR A 14 2.446 11.320 -13.984 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -1.557 12.625 -14.838 1.00 25.00 H new ATOM 0 HH TYR A 14 1.455 11.036 -15.955 1.00 25.00 H new ATOM 194 N PRO A 15 -1.194 16.101 -9.150 1.00 25.00 N ATOM 195 CA PRO A 15 -1.711 16.781 -7.952 1.00 25.00 C ATOM 196 C PRO A 15 -1.837 15.886 -6.728 1.00 25.00 C ATOM 197 O PRO A 15 -2.361 14.775 -6.789 1.00 25.00 O ATOM 198 CB PRO A 15 -3.085 17.283 -8.407 1.00 25.00 C ATOM 199 CG PRO A 15 -3.486 16.344 -9.468 1.00 25.00 C ATOM 200 CD PRO A 15 -2.214 16.087 -10.218 1.00 25.00 C ATOM 0 HA PRO A 15 -1.030 17.564 -7.619 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -3.800 17.282 -7.585 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -3.030 18.305 -8.781 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.899 15.424 -9.053 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -4.251 16.774 -10.114 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -2.239 15.131 -10.740 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -2.025 16.855 -10.968 1.00 25.00 H new ATOM 208 N ASN A 16 -1.312 16.388 -5.625 1.00 25.00 N ATOM 209 CA ASN A 16 -1.174 15.655 -4.381 1.00 25.00 C ATOM 210 C ASN A 16 -1.965 16.317 -3.246 1.00 25.00 C ATOM 211 O ASN A 16 -2.157 17.527 -3.252 1.00 25.00 O ATOM 212 CB ASN A 16 0.302 15.650 -4.004 1.00 25.00 C ATOM 213 CG ASN A 16 0.827 17.044 -3.775 1.00 25.00 C ATOM 214 OD1 ASN A 16 0.821 17.875 -4.669 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.243 17.314 -2.585 1.00 25.00 N ATOM 0 H ASN A 16 -0.960 17.344 -5.569 1.00 25.00 H new ATOM 0 HA ASN A 16 -1.561 14.646 -4.521 1.00 25.00 H new ATOM 0 HB2 ASN A 16 0.444 15.055 -3.102 1.00 25.00 H new ATOM 0 HB3 ASN A 16 0.878 15.171 -4.796 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.583 18.250 -2.364 1.00 25.00 H new ATOM 0 HD22 ASN A 16 1.232 16.592 -1.865 1.00 25.00 H new ATOM 222 N PRO A 17 -2.439 15.527 -2.263 1.00 25.00 N ATOM 223 CA PRO A 17 -3.249 16.118 -1.187 1.00 25.00 C ATOM 224 C PRO A 17 -2.498 16.741 -0.001 1.00 25.00 C ATOM 225 O PRO A 17 -3.097 17.444 0.797 1.00 25.00 O ATOM 226 CB PRO A 17 -4.022 14.904 -0.676 1.00 25.00 C ATOM 227 CG PRO A 17 -3.032 13.800 -0.797 1.00 25.00 C ATOM 228 CD PRO A 17 -2.334 14.061 -2.108 1.00 25.00 C ATOM 0 HA PRO A 17 -3.816 16.959 -1.586 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -4.351 15.040 0.354 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -4.914 14.713 -1.273 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -2.328 13.805 0.035 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -3.521 12.826 -0.795 1.00 25.00 H new ATOM 0 HD2 PRO A 17 -1.295 13.733 -2.083 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -2.815 13.534 -2.932 1.00 25.00 H new ATOM 236 N ARG A 18 -1.232 16.381 0.196 1.00 25.00 N ATOM 237 CA ARG A 18 -0.551 16.708 1.459 1.00 25.00 C ATOM 238 C ARG A 18 -0.031 18.141 1.596 1.00 25.00 C ATOM 239 O ARG A 18 -0.378 18.826 2.544 1.00 25.00 O ATOM 240 CB ARG A 18 0.600 15.726 1.716 1.00 25.00 C ATOM 241 CG ARG A 18 1.046 15.709 3.186 1.00 25.00 C ATOM 242 CD ARG A 18 2.464 15.182 3.354 1.00 25.00 C ATOM 243 NE ARG A 18 2.964 15.457 4.711 1.00 25.00 N ATOM 244 CZ ARG A 18 4.221 15.300 5.118 1.00 25.00 C ATOM 245 NH1 ARG A 18 4.532 15.617 6.345 1.00 25.00 N ATOM 246 NH2 ARG A 18 5.163 14.834 4.335 1.00 25.00 N ATOM 0 H ARG A 18 -0.662 15.874 -0.482 1.00 25.00 H new ATOM 0 HA ARG A 18 -1.335 16.615 2.211 1.00 25.00 H new ATOM 0 HB2 ARG A 18 0.289 14.723 1.423 1.00 25.00 H new ATOM 0 HB3 ARG A 18 1.448 15.994 1.086 1.00 25.00 H new ATOM 0 HG2 ARG A 18 0.985 16.718 3.593 1.00 25.00 H new ATOM 0 HG3 ARG A 18 0.360 15.090 3.764 1.00 25.00 H new ATOM 0 HD2 ARG A 18 2.483 14.109 3.165 1.00 25.00 H new ATOM 0 HD3 ARG A 18 3.120 15.647 2.618 1.00 25.00 H new ATOM 0 HE ARG A 18 2.290 15.797 5.397 1.00 25.00 H new ATOM 0 HH11 ARG A 18 3.816 15.979 6.975 1.00 25.00 H new ATOM 0 HH12 ARG A 18 5.491 15.503 6.674 1.00 25.00 H new ATOM 0 HH21 ARG A 18 4.945 14.576 3.373 1.00 25.00 H new ATOM 0 HH22 ARG A 18 6.114 14.730 4.688 1.00 25.00 H new ATOM 260 N GLU A 19 0.860 18.561 0.708 1.00 25.00 N ATOM 261 CA GLU A 19 1.510 19.876 0.848 1.00 25.00 C ATOM 262 C GLU A 19 1.724 20.556 -0.490 1.00 25.00 C ATOM 263 O GLU A 19 2.000 19.898 -1.482 1.00 25.00 O ATOM 264 CB GLU A 19 2.903 19.755 1.479 1.00 25.00 C ATOM 265 CG GLU A 19 2.981 19.040 2.804 1.00 25.00 C ATOM 266 CD GLU A 19 4.414 18.876 3.273 1.00 25.00 C ATOM 267 OE1 GLU A 19 4.864 17.714 3.383 1.00 25.00 O ATOM 268 OE2 GLU A 19 5.099 19.888 3.510 1.00 25.00 O ATOM 0 H GLU A 19 1.153 18.026 -0.109 1.00 25.00 H new ATOM 0 HA GLU A 19 0.835 20.456 1.477 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.553 19.238 0.773 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.307 20.759 1.609 1.00 25.00 H new ATOM 0 HG2 GLU A 19 2.416 19.597 3.551 1.00 25.00 H new ATOM 0 HG3 GLU A 19 2.513 18.059 2.716 1.00 25.00 H new ATOM 275 N ARG A 20 1.728 21.883 -0.465 1.00 25.00 N ATOM 276 CA ARG A 20 2.082 22.723 -1.623 1.00 25.00 C ATOM 277 C ARG A 20 3.520 22.448 -2.088 1.00 25.00 C ATOM 278 O ARG A 20 3.843 22.525 -3.275 1.00 25.00 O ATOM 279 CB ARG A 20 1.938 24.190 -1.177 1.00 25.00 C ATOM 280 CG ARG A 20 2.426 25.254 -2.153 1.00 25.00 C ATOM 281 CD ARG A 20 1.617 25.283 -3.430 1.00 25.00 C ATOM 282 NE ARG A 20 1.826 26.549 -4.156 1.00 25.00 N ATOM 283 CZ ARG A 20 1.333 26.841 -5.354 1.00 25.00 C ATOM 284 NH1 ARG A 20 0.600 25.997 -6.033 1.00 25.00 N ATOM 285 NH2 ARG A 20 1.586 28.009 -5.873 1.00 25.00 N ATOM 0 H ARG A 20 1.484 22.421 0.366 1.00 25.00 H new ATOM 0 HA ARG A 20 1.426 22.501 -2.465 1.00 25.00 H new ATOM 0 HB2 ARG A 20 0.886 24.379 -0.966 1.00 25.00 H new ATOM 0 HB3 ARG A 20 2.479 24.315 -0.239 1.00 25.00 H new ATOM 0 HG2 ARG A 20 2.377 26.232 -1.674 1.00 25.00 H new ATOM 0 HG3 ARG A 20 3.473 25.069 -2.394 1.00 25.00 H new ATOM 0 HD2 ARG A 20 1.902 24.444 -4.065 1.00 25.00 H new ATOM 0 HD3 ARG A 20 0.559 25.163 -3.198 1.00 25.00 H new ATOM 0 HE ARG A 20 2.397 27.260 -3.700 1.00 25.00 H new ATOM 0 HH11 ARG A 20 0.389 25.078 -5.645 1.00 25.00 H new ATOM 0 HH12 ARG A 20 0.239 26.258 -6.951 1.00 25.00 H new ATOM 0 HH21 ARG A 20 2.155 28.683 -5.360 1.00 25.00 H new ATOM 0 HH22 ARG A 20 1.215 28.250 -6.792 1.00 25.00 H new ATOM 299 N SER A 21 4.363 22.133 -1.122 1.00 25.00 N ATOM 300 CA SER A 21 5.785 21.865 -1.335 1.00 25.00 C ATOM 301 C SER A 21 6.086 20.416 -1.721 1.00 25.00 C ATOM 302 O SER A 21 7.240 20.060 -1.911 1.00 25.00 O ATOM 303 CB SER A 21 6.502 22.147 -0.022 1.00 25.00 C ATOM 304 OG SER A 21 5.862 21.393 0.997 1.00 25.00 O ATOM 0 H SER A 21 4.079 22.053 -0.146 1.00 25.00 H new ATOM 0 HA SER A 21 6.117 22.496 -2.159 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.554 21.872 -0.096 1.00 25.00 H new ATOM 0 HB3 SER A 21 6.466 23.211 0.211 1.00 25.00 H new ATOM 0 HG SER A 21 6.308 21.557 1.854 1.00 25.00 H new ATOM 310 N SER A 22 5.069 19.572 -1.815 1.00 25.00 N ATOM 311 CA SER A 22 5.275 18.156 -2.138 1.00 25.00 C ATOM 312 C SER A 22 4.481 17.829 -3.382 1.00 25.00 C ATOM 313 O SER A 22 3.653 18.628 -3.798 1.00 25.00 O ATOM 314 CB SER A 22 4.846 17.259 -0.972 1.00 25.00 C ATOM 315 OG SER A 22 3.446 17.318 -0.774 1.00 25.00 O ATOM 0 H SER A 22 4.094 19.836 -1.674 1.00 25.00 H new ATOM 0 HA SER A 22 6.335 17.973 -2.315 1.00 25.00 H new ATOM 0 HB2 SER A 22 5.145 16.230 -1.171 1.00 25.00 H new ATOM 0 HB3 SER A 22 5.359 17.570 -0.062 1.00 25.00 H new ATOM 0 HG SER A 22 3.110 18.190 -1.070 1.00 25.00 H new ATOM 321 N PHE A 23 4.731 16.673 -3.980 1.00 25.00 N ATOM 322 CA PHE A 23 4.008 16.272 -5.184 1.00 25.00 C ATOM 323 C PHE A 23 3.976 14.754 -5.346 1.00 25.00 C ATOM 324 O PHE A 23 4.671 14.016 -4.639 1.00 25.00 O ATOM 325 CB PHE A 23 4.651 16.923 -6.422 1.00 25.00 C ATOM 326 CG PHE A 23 6.138 16.720 -6.521 1.00 25.00 C ATOM 327 CD1 PHE A 23 6.998 17.809 -6.338 1.00 25.00 C ATOM 328 CD2 PHE A 23 6.691 15.460 -6.826 1.00 25.00 C ATOM 329 CE1 PHE A 23 8.406 17.655 -6.450 1.00 25.00 C ATOM 330 CE2 PHE A 23 8.092 15.292 -6.945 1.00 25.00 C ATOM 331 CZ PHE A 23 8.950 16.391 -6.751 1.00 25.00 C ATOM 0 H PHE A 23 5.424 15.998 -3.656 1.00 25.00 H new ATOM 0 HA PHE A 23 2.978 16.615 -5.085 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.180 16.519 -7.318 1.00 25.00 H new ATOM 0 HB3 PHE A 23 4.441 17.993 -6.407 1.00 25.00 H new ATOM 0 HD1 PHE A 23 6.585 18.780 -6.108 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.038 14.612 -6.971 1.00 25.00 H new ATOM 0 HE1 PHE A 23 9.057 18.504 -6.305 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.502 14.322 -7.184 1.00 25.00 H new ATOM 0 HZ PHE A 23 10.020 16.266 -6.833 1.00 25.00 H new ATOM 341 N TYR A 24 3.231 14.305 -6.346 1.00 25.00 N ATOM 342 CA TYR A 24 3.262 12.914 -6.773 1.00 25.00 C ATOM 343 C TYR A 24 4.100 12.979 -8.019 1.00 25.00 C ATOM 344 O TYR A 24 4.014 13.956 -8.756 1.00 25.00 O ATOM 345 CB TYR A 24 1.881 12.401 -7.195 1.00 25.00 C ATOM 346 CG TYR A 24 0.959 11.989 -6.080 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.351 11.030 -5.140 1.00 25.00 C ATOM 348 CD2 TYR A 24 -0.335 12.516 -5.996 1.00 25.00 C ATOM 349 CE1 TYR A 24 0.468 10.606 -4.109 1.00 25.00 C ATOM 350 CE2 TYR A 24 -1.233 12.096 -4.972 1.00 25.00 C ATOM 351 CZ TYR A 24 -0.818 11.145 -4.037 1.00 25.00 C ATOM 352 OH TYR A 24 -1.677 10.729 -3.051 1.00 25.00 O ATOM 0 H TYR A 24 2.591 14.892 -6.882 1.00 25.00 H new ATOM 0 HA TYR A 24 3.620 12.262 -5.977 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.389 13.180 -7.777 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.020 11.547 -7.858 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.342 10.604 -5.198 1.00 25.00 H new ATOM 0 HD2 TYR A 24 -0.658 13.252 -6.718 1.00 25.00 H new ATOM 0 HE1 TYR A 24 0.790 9.871 -3.386 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -2.229 12.511 -4.919 1.00 25.00 H new ATOM 0 HH TYR A 24 -2.531 11.202 -3.140 1.00 25.00 H new ATOM 362 N SER A 25 4.888 11.953 -8.266 1.00 25.00 N ATOM 363 CA SER A 25 5.706 11.886 -9.462 1.00 25.00 C ATOM 364 C SER A 25 5.582 10.491 -10.030 1.00 25.00 C ATOM 365 O SER A 25 5.541 9.505 -9.284 1.00 25.00 O ATOM 366 CB SER A 25 7.167 12.184 -9.124 1.00 25.00 C ATOM 367 OG SER A 25 7.974 12.160 -10.287 1.00 25.00 O ATOM 0 H SER A 25 4.980 11.146 -7.649 1.00 25.00 H new ATOM 0 HA SER A 25 5.370 12.626 -10.189 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.241 13.161 -8.646 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.535 11.450 -8.407 1.00 25.00 H new ATOM 0 HG SER A 25 8.903 12.355 -10.044 1.00 25.00 H new ATOM 373 N CYS A 26 5.535 10.411 -11.345 1.00 25.00 N ATOM 374 CA CYS A 26 5.532 9.141 -12.039 1.00 25.00 C ATOM 375 C CYS A 26 6.802 9.122 -12.867 1.00 25.00 C ATOM 376 O CYS A 26 7.076 10.069 -13.600 1.00 25.00 O ATOM 377 CB CYS A 26 4.293 9.005 -12.932 1.00 25.00 C ATOM 378 SG CYS A 26 2.727 8.876 -11.997 1.00 25.00 S ATOM 0 H CYS A 26 5.498 11.224 -11.960 1.00 25.00 H new ATOM 0 HA CYS A 26 5.498 8.305 -11.340 1.00 25.00 H new ATOM 0 HB2 CYS A 26 4.239 9.866 -13.598 1.00 25.00 H new ATOM 0 HB3 CYS A 26 4.404 8.122 -13.561 1.00 25.00 H new ATOM 383 N ALA A 27 7.580 8.064 -12.715 1.00 25.00 N ATOM 384 CA ALA A 27 8.803 7.877 -13.482 1.00 25.00 C ATOM 385 C ALA A 27 8.844 6.398 -13.845 1.00 25.00 C ATOM 386 O ALA A 27 8.620 5.551 -12.977 1.00 25.00 O ATOM 387 CB ALA A 27 10.030 8.287 -12.657 1.00 25.00 C ATOM 0 H ALA A 27 7.383 7.310 -12.057 1.00 25.00 H new ATOM 0 HA ALA A 27 8.818 8.500 -14.377 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.933 8.139 -13.250 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.947 9.338 -12.379 1.00 25.00 H new ATOM 0 HB3 ALA A 27 10.083 7.676 -11.756 1.00 25.00 H new ATOM 393 N ALA A 28 9.036 6.106 -15.127 1.00 25.00 N ATOM 394 CA ALA A 28 8.963 4.748 -15.679 1.00 25.00 C ATOM 395 C ALA A 28 7.600 4.109 -15.364 1.00 25.00 C ATOM 396 O ALA A 28 7.488 2.888 -15.219 1.00 25.00 O ATOM 397 CB ALA A 28 10.132 3.875 -15.151 1.00 25.00 C ATOM 0 H ALA A 28 9.251 6.815 -15.828 1.00 25.00 H new ATOM 0 HA ALA A 28 9.061 4.810 -16.763 1.00 25.00 H new ATOM 0 HB1 ALA A 28 10.057 2.873 -15.573 1.00 25.00 H new ATOM 0 HB2 ALA A 28 11.082 4.323 -15.444 1.00 25.00 H new ATOM 0 HB3 ALA A 28 10.079 3.815 -14.064 1.00 25.00 H new ATOM 403 N GLY A 29 6.574 4.942 -15.228 1.00 25.00 N ATOM 404 CA GLY A 29 5.248 4.454 -14.889 1.00 25.00 C ATOM 405 C GLY A 29 5.136 3.917 -13.472 1.00 25.00 C ATOM 406 O GLY A 29 4.271 3.085 -13.195 1.00 25.00 O ATOM 0 H GLY A 29 6.637 5.953 -15.347 1.00 25.00 H new ATOM 0 HA2 GLY A 29 4.529 5.263 -15.019 1.00 25.00 H new ATOM 0 HA3 GLY A 29 4.971 3.666 -15.589 1.00 25.00 H new ATOM 410 N ARG A 30 6.013 4.350 -12.573 1.00 25.00 N ATOM 411 CA ARG A 30 5.990 3.904 -11.169 1.00 25.00 C ATOM 412 C ARG A 30 5.887 5.119 -10.266 1.00 25.00 C ATOM 413 O ARG A 30 6.370 6.188 -10.617 1.00 25.00 O ATOM 414 CB ARG A 30 7.273 3.128 -10.827 1.00 25.00 C ATOM 415 CG ARG A 30 7.590 1.963 -11.766 1.00 25.00 C ATOM 416 CD ARG A 30 6.531 0.860 -11.727 1.00 25.00 C ATOM 417 NE ARG A 30 6.818 -0.176 -12.731 1.00 25.00 N ATOM 418 CZ ARG A 30 6.305 -0.225 -13.957 1.00 25.00 C ATOM 419 NH1 ARG A 30 6.678 -1.183 -14.759 1.00 25.00 N ATOM 420 NH2 ARG A 30 5.436 0.647 -14.399 1.00 25.00 N ATOM 0 H ARG A 30 6.757 5.014 -12.786 1.00 25.00 H new ATOM 0 HA ARG A 30 5.133 3.247 -11.021 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.113 3.822 -10.836 1.00 25.00 H new ATOM 0 HB3 ARG A 30 7.188 2.744 -9.811 1.00 25.00 H new ATOM 0 HG2 ARG A 30 7.678 2.339 -12.785 1.00 25.00 H new ATOM 0 HG3 ARG A 30 8.558 1.540 -11.497 1.00 25.00 H new ATOM 0 HD2 ARG A 30 6.503 0.412 -10.734 1.00 25.00 H new ATOM 0 HD3 ARG A 30 5.546 1.289 -11.912 1.00 25.00 H new ATOM 0 HE ARG A 30 7.464 -0.919 -12.465 1.00 25.00 H new ATOM 0 HH11 ARG A 30 7.353 -1.879 -14.443 1.00 25.00 H new ATOM 0 HH12 ARG A 30 6.295 -1.236 -15.703 1.00 25.00 H new ATOM 0 HH21 ARG A 30 5.123 1.407 -13.795 1.00 25.00 H new ATOM 0 HH22 ARG A 30 5.071 0.567 -15.348 1.00 25.00 H new ATOM 434 N LEU A 31 5.253 4.964 -9.111 1.00 25.00 N ATOM 435 CA LEU A 31 5.060 6.084 -8.186 1.00 25.00 C ATOM 436 C LEU A 31 6.286 6.413 -7.346 1.00 25.00 C ATOM 437 O LEU A 31 6.789 5.568 -6.592 1.00 25.00 O ATOM 438 CB LEU A 31 3.906 5.771 -7.226 1.00 25.00 C ATOM 439 CG LEU A 31 3.636 6.801 -6.110 1.00 25.00 C ATOM 440 CD1 LEU A 31 3.348 8.194 -6.682 1.00 25.00 C ATOM 441 CD2 LEU A 31 2.486 6.322 -5.233 1.00 25.00 C ATOM 0 H LEU A 31 4.863 4.078 -8.789 1.00 25.00 H new ATOM 0 HA LEU A 31 4.848 6.949 -8.814 1.00 25.00 H new ATOM 0 HB2 LEU A 31 2.995 5.659 -7.814 1.00 25.00 H new ATOM 0 HB3 LEU A 31 4.104 4.806 -6.758 1.00 25.00 H new ATOM 0 HG LEU A 31 4.535 6.887 -5.500 1.00 25.00 H new ATOM 0 HD11 LEU A 31 3.163 8.892 -5.865 1.00 25.00 H new ATOM 0 HD12 LEU A 31 4.206 8.534 -7.262 1.00 25.00 H new ATOM 0 HD13 LEU A 31 2.470 8.148 -7.326 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.299 7.053 -4.446 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.589 6.206 -5.841 1.00 25.00 H new ATOM 0 HD23 LEU A 31 2.746 5.364 -4.783 1.00 25.00 H new ATOM 453 N PHE A 32 6.660 7.682 -7.378 1.00 25.00 N ATOM 454 CA PHE A 32 7.632 8.250 -6.458 1.00 25.00 C ATOM 455 C PHE A 32 6.929 9.428 -5.782 1.00 25.00 C ATOM 456 O PHE A 32 6.295 10.231 -6.450 1.00 25.00 O ATOM 457 CB PHE A 32 8.877 8.732 -7.204 1.00 25.00 C ATOM 458 CG PHE A 32 9.668 7.621 -7.833 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.207 7.007 -9.004 1.00 25.00 C ATOM 460 CD2 PHE A 32 10.873 7.172 -7.256 1.00 25.00 C ATOM 461 CE1 PHE A 32 9.933 5.960 -9.615 1.00 25.00 C ATOM 462 CE2 PHE A 32 11.615 6.122 -7.859 1.00 25.00 C ATOM 463 CZ PHE A 32 11.142 5.519 -9.042 1.00 25.00 C ATOM 0 H PHE A 32 6.293 8.354 -8.051 1.00 25.00 H new ATOM 0 HA PHE A 32 7.967 7.508 -5.733 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.576 9.437 -7.979 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.518 9.276 -6.510 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.280 7.340 -9.448 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.235 7.630 -6.348 1.00 25.00 H new ATOM 0 HE1 PHE A 32 9.562 5.499 -10.519 1.00 25.00 H new ATOM 0 HE2 PHE A 32 12.539 5.786 -7.412 1.00 25.00 H new ATOM 0 HZ PHE A 32 11.704 4.723 -9.507 1.00 25.00 H new ATOM 473 N GLN A 33 7.004 9.523 -4.466 1.00 25.00 N ATOM 474 CA GLN A 33 6.421 10.659 -3.747 1.00 25.00 C ATOM 475 C GLN A 33 7.584 11.417 -3.140 1.00 25.00 C ATOM 476 O GLN A 33 8.427 10.823 -2.471 1.00 25.00 O ATOM 477 CB GLN A 33 5.439 10.192 -2.681 1.00 25.00 C ATOM 478 CG GLN A 33 4.079 9.823 -3.256 1.00 25.00 C ATOM 479 CD GLN A 33 3.125 9.330 -2.197 1.00 25.00 C ATOM 480 OE1 GLN A 33 2.842 8.149 -2.109 1.00 25.00 O ATOM 481 NE2 GLN A 33 2.620 10.231 -1.395 1.00 25.00 N ATOM 0 H GLN A 33 7.460 8.833 -3.869 1.00 25.00 H new ATOM 0 HA GLN A 33 5.848 11.299 -4.418 1.00 25.00 H new ATOM 0 HB2 GLN A 33 5.856 9.329 -2.162 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.313 10.980 -1.939 1.00 25.00 H new ATOM 0 HG2 GLN A 33 3.649 10.693 -3.753 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.205 9.052 -4.016 1.00 25.00 H new ATOM 0 HE21 GLN A 33 2.882 11.211 -1.500 1.00 25.00 H new ATOM 0 HE22 GLN A 33 1.965 9.953 -0.664 1.00 25.00 H new ATOM 490 N GLN A 34 7.677 12.701 -3.450 1.00 25.00 N ATOM 491 CA GLN A 34 8.830 13.513 -3.069 1.00 25.00 C ATOM 492 C GLN A 34 8.380 14.920 -2.710 1.00 25.00 C ATOM 493 O GLN A 34 7.225 15.297 -2.947 1.00 25.00 O ATOM 494 CB GLN A 34 9.814 13.591 -4.245 1.00 25.00 C ATOM 495 CG GLN A 34 10.532 12.278 -4.557 1.00 25.00 C ATOM 496 CD GLN A 34 11.435 12.391 -5.762 1.00 25.00 C ATOM 497 OE1 GLN A 34 10.977 12.620 -6.869 1.00 25.00 O ATOM 498 NE2 GLN A 34 12.717 12.225 -5.557 1.00 25.00 N ATOM 0 H GLN A 34 6.962 13.210 -3.969 1.00 25.00 H new ATOM 0 HA GLN A 34 9.315 13.055 -2.207 1.00 25.00 H new ATOM 0 HB2 GLN A 34 9.273 13.915 -5.134 1.00 25.00 H new ATOM 0 HB3 GLN A 34 10.560 14.356 -4.029 1.00 25.00 H new ATOM 0 HG2 GLN A 34 11.121 11.974 -3.692 1.00 25.00 H new ATOM 0 HG3 GLN A 34 9.794 11.495 -4.731 1.00 25.00 H new ATOM 0 HE21 GLN A 34 13.063 12.035 -4.616 1.00 25.00 H new ATOM 0 HE22 GLN A 34 13.370 12.286 -6.338 1.00 25.00 H new ATOM 507 N SER A 35 9.306 15.697 -2.170 1.00 0.00 N ATOM 508 CA SER A 35 9.066 17.091 -1.840 1.00 25.00 C ATOM 509 C SER A 35 10.067 17.941 -2.602 1.00 25.00 C ATOM 510 O SER A 35 11.071 17.440 -3.104 1.00 25.00 O ATOM 511 CB SER A 35 9.205 17.318 -0.335 1.00 25.00 C ATOM 512 OG SER A 35 10.491 16.922 0.115 1.00 25.00 O ATOM 0 H SER A 35 10.248 15.376 -1.948 1.00 0.00 H new ATOM 0 HA SER A 35 8.051 17.370 -2.123 1.00 25.00 H new ATOM 0 HB2 SER A 35 9.042 18.371 -0.104 1.00 25.00 H new ATOM 0 HB3 SER A 35 8.439 16.753 0.195 1.00 25.00 H new ATOM 0 HG SER A 35 10.562 17.076 1.080 1.00 25.00 H new ATOM 518 N CYS A 36 9.767 19.224 -2.694 1.00 25.00 N ATOM 519 CA CYS A 36 10.581 20.204 -3.399 1.00 25.00 C ATOM 520 C CYS A 36 10.930 21.298 -2.376 1.00 25.00 C ATOM 521 O CYS A 36 10.319 22.359 -2.360 1.00 25.00 O ATOM 522 CB CYS A 36 9.745 20.769 -4.551 1.00 25.00 C ATOM 523 SG CYS A 36 10.684 21.472 -5.934 1.00 25.00 S ATOM 0 H CYS A 36 8.930 19.626 -2.271 1.00 25.00 H new ATOM 0 HA CYS A 36 11.496 19.780 -3.813 1.00 25.00 H new ATOM 0 HB2 CYS A 36 9.107 19.974 -4.936 1.00 25.00 H new ATOM 0 HB3 CYS A 36 9.087 21.541 -4.153 1.00 25.00 H new ATOM 528 N PRO A 37 11.811 20.986 -1.408 1.00 25.00 N ATOM 529 CA PRO A 37 11.859 21.898 -0.255 1.00 25.00 C ATOM 530 C PRO A 37 12.554 23.243 -0.455 1.00 25.00 C ATOM 531 O PRO A 37 12.268 24.196 0.266 1.00 25.00 O ATOM 532 CB PRO A 37 12.608 21.068 0.792 1.00 25.00 C ATOM 533 CG PRO A 37 13.513 20.202 -0.009 1.00 25.00 C ATOM 534 CD PRO A 37 12.670 19.804 -1.195 1.00 25.00 C ATOM 0 HA PRO A 37 10.847 22.210 0.002 1.00 25.00 H new ATOM 0 HB2 PRO A 37 13.169 21.704 1.478 1.00 25.00 H new ATOM 0 HB3 PRO A 37 11.921 20.475 1.396 1.00 25.00 H new ATOM 0 HG2 PRO A 37 14.411 20.738 -0.318 1.00 25.00 H new ATOM 0 HG3 PRO A 37 13.841 19.332 0.559 1.00 25.00 H new ATOM 0 HD2 PRO A 37 13.282 19.588 -2.070 1.00 25.00 H new ATOM 0 HD3 PRO A 37 12.081 18.910 -0.989 1.00 25.00 H new ATOM 542 N THR A 38 13.515 23.327 -1.362 1.00 25.00 N ATOM 543 CA THR A 38 14.279 24.555 -1.514 1.00 25.00 C ATOM 544 C THR A 38 13.575 25.644 -2.326 1.00 25.00 C ATOM 545 O THR A 38 13.840 25.830 -3.502 1.00 25.00 O ATOM 546 CB THR A 38 15.631 24.235 -2.125 1.00 25.00 C ATOM 547 OG1 THR A 38 15.592 22.910 -2.670 1.00 25.00 O ATOM 548 CG2 THR A 38 16.699 24.284 -1.061 1.00 25.00 C ATOM 0 H THR A 38 13.781 22.573 -1.995 1.00 25.00 H new ATOM 0 HA THR A 38 14.393 24.970 -0.513 1.00 25.00 H new ATOM 0 HB THR A 38 15.856 24.964 -2.904 1.00 25.00 H new ATOM 0 HG1 THR A 38 16.461 22.695 -3.069 1.00 25.00 H new ATOM 0 HG21 THR A 38 17.667 24.053 -1.506 1.00 25.00 H new ATOM 0 HG22 THR A 38 16.730 25.281 -0.622 1.00 25.00 H new ATOM 0 HG23 THR A 38 16.473 23.553 -0.285 1.00 25.00 H new ATOM 556 N GLY A 39 12.764 26.433 -1.639 1.00 25.00 N ATOM 557 CA GLY A 39 12.210 27.657 -2.212 1.00 25.00 C ATOM 558 C GLY A 39 11.184 27.531 -3.330 1.00 25.00 C ATOM 559 O GLY A 39 10.773 28.548 -3.894 1.00 25.00 O ATOM 0 H GLY A 39 12.472 26.249 -0.679 1.00 25.00 H new ATOM 0 HA2 GLY A 39 11.751 28.225 -1.403 1.00 25.00 H new ATOM 0 HA3 GLY A 39 13.041 28.253 -2.589 1.00 25.00 H new ATOM 563 N LEU A 40 10.809 26.316 -3.702 1.00 25.00 N ATOM 564 CA LEU A 40 9.943 26.095 -4.862 1.00 25.00 C ATOM 565 C LEU A 40 8.679 25.336 -4.469 1.00 25.00 C ATOM 566 O LEU A 40 8.611 24.741 -3.400 1.00 25.00 O ATOM 567 CB LEU A 40 10.704 25.304 -5.929 1.00 25.00 C ATOM 568 CG LEU A 40 12.025 25.880 -6.477 1.00 25.00 C ATOM 569 CD1 LEU A 40 12.644 24.867 -7.437 1.00 25.00 C ATOM 570 CD2 LEU A 40 11.831 27.209 -7.192 1.00 25.00 C ATOM 0 H LEU A 40 11.089 25.463 -3.219 1.00 25.00 H new ATOM 0 HA LEU A 40 9.650 27.067 -5.259 1.00 25.00 H new ATOM 0 HB2 LEU A 40 10.919 24.317 -5.518 1.00 25.00 H new ATOM 0 HB3 LEU A 40 10.031 25.158 -6.774 1.00 25.00 H new ATOM 0 HG LEU A 40 12.685 26.067 -5.630 1.00 25.00 H new ATOM 0 HD11 LEU A 40 13.580 25.264 -7.831 1.00 25.00 H new ATOM 0 HD12 LEU A 40 12.840 23.935 -6.906 1.00 25.00 H new ATOM 0 HD13 LEU A 40 11.955 24.678 -8.260 1.00 25.00 H new ATOM 0 HD21 LEU A 40 12.793 27.569 -7.558 1.00 25.00 H new ATOM 0 HD22 LEU A 40 11.151 27.074 -8.033 1.00 25.00 H new ATOM 0 HD23 LEU A 40 11.411 27.937 -6.498 1.00 25.00 H new ATOM 582 N VAL A 41 7.673 25.380 -5.329 1.00 25.00 N ATOM 583 CA VAL A 41 6.381 24.746 -5.059 1.00 25.00 C ATOM 584 C VAL A 41 5.888 23.983 -6.287 1.00 25.00 C ATOM 585 O VAL A 41 6.311 24.262 -7.411 1.00 25.00 O ATOM 586 CB VAL A 41 5.310 25.812 -4.690 1.00 25.00 C ATOM 587 CG1 VAL A 41 5.707 26.561 -3.404 1.00 25.00 C ATOM 588 CG2 VAL A 41 5.117 26.821 -5.836 1.00 25.00 C ATOM 0 H VAL A 41 7.723 25.853 -6.231 1.00 25.00 H new ATOM 0 HA VAL A 41 6.524 24.059 -4.225 1.00 25.00 H new ATOM 0 HB VAL A 41 4.369 25.289 -4.522 1.00 25.00 H new ATOM 0 HG11 VAL A 41 4.944 27.302 -3.164 1.00 25.00 H new ATOM 0 HG12 VAL A 41 5.794 25.851 -2.582 1.00 25.00 H new ATOM 0 HG13 VAL A 41 6.664 27.061 -3.555 1.00 25.00 H new ATOM 0 HG21 VAL A 41 4.363 27.555 -5.552 1.00 25.00 H new ATOM 0 HG22 VAL A 41 6.060 27.329 -6.036 1.00 25.00 H new ATOM 0 HG23 VAL A 41 4.791 26.295 -6.733 1.00 25.00 H new ATOM 598 N PHE A 42 4.976 23.043 -6.093 1.00 25.00 N ATOM 599 CA PHE A 42 4.405 22.328 -7.228 1.00 25.00 C ATOM 600 C PHE A 42 3.428 23.229 -7.988 1.00 25.00 C ATOM 601 O PHE A 42 2.473 23.762 -7.413 1.00 25.00 O ATOM 602 CB PHE A 42 3.676 21.063 -6.771 1.00 25.00 C ATOM 603 CG PHE A 42 2.969 20.344 -7.893 1.00 25.00 C ATOM 604 CD1 PHE A 42 3.642 20.059 -9.097 1.00 25.00 C ATOM 605 CD2 PHE A 42 1.617 19.973 -7.766 1.00 25.00 C ATOM 606 CE1 PHE A 42 2.974 19.425 -10.164 1.00 25.00 C ATOM 607 CE2 PHE A 42 0.942 19.326 -8.835 1.00 25.00 C ATOM 608 CZ PHE A 42 1.624 19.053 -10.033 1.00 25.00 C ATOM 0 H PHE A 42 4.620 22.760 -5.180 1.00 25.00 H new ATOM 0 HA PHE A 42 5.225 22.042 -7.887 1.00 25.00 H new ATOM 0 HB2 PHE A 42 4.394 20.385 -6.309 1.00 25.00 H new ATOM 0 HB3 PHE A 42 2.949 21.328 -6.003 1.00 25.00 H new ATOM 0 HD1 PHE A 42 4.682 20.329 -9.204 1.00 25.00 H new ATOM 0 HD2 PHE A 42 1.088 20.182 -6.848 1.00 25.00 H new ATOM 0 HE1 PHE A 42 3.501 19.224 -11.085 1.00 25.00 H new ATOM 0 HE2 PHE A 42 -0.095 19.044 -8.727 1.00 25.00 H new ATOM 0 HZ PHE A 42 1.115 18.561 -10.848 1.00 25.00 H new ATOM 618 N SER A 43 3.646 23.370 -9.289 1.00 25.00 N ATOM 619 CA SER A 43 2.756 24.140 -10.150 1.00 25.00 C ATOM 620 C SER A 43 1.961 23.190 -11.023 1.00 25.00 C ATOM 621 O SER A 43 2.490 22.540 -11.927 1.00 25.00 O ATOM 622 CB SER A 43 3.547 25.105 -11.020 1.00 25.00 C ATOM 623 OG SER A 43 2.674 25.838 -11.861 1.00 25.00 O ATOM 0 H SER A 43 4.441 22.956 -9.776 1.00 25.00 H new ATOM 0 HA SER A 43 2.078 24.722 -9.526 1.00 25.00 H new ATOM 0 HB2 SER A 43 4.116 25.789 -10.391 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.267 24.554 -11.624 1.00 25.00 H new ATOM 0 HG SER A 43 3.195 26.456 -12.415 1.00 25.00 H new ATOM 629 N ASN A 44 0.675 23.102 -10.731 1.00 25.00 N ATOM 630 CA ASN A 44 -0.218 22.174 -11.416 1.00 25.00 C ATOM 631 C ASN A 44 -0.431 22.490 -12.895 1.00 25.00 C ATOM 632 O ASN A 44 -0.864 21.627 -13.643 1.00 25.00 O ATOM 633 CB ASN A 44 -1.580 22.170 -10.723 1.00 25.00 C ATOM 634 CG ASN A 44 -1.921 20.830 -10.140 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.858 19.808 -10.814 1.00 25.00 O ATOM 636 ND2 ASN A 44 -2.285 20.820 -8.886 1.00 25.00 N ATOM 0 H ASN A 44 0.218 23.668 -10.016 1.00 25.00 H new ATOM 0 HA ASN A 44 0.267 21.199 -11.363 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -1.584 22.919 -9.931 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -2.350 22.458 -11.439 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -2.530 19.939 -8.433 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -2.325 21.693 -8.359 1.00 25.00 H new ATOM 643 N SER A 45 -0.170 23.725 -13.306 1.00 25.00 N ATOM 644 CA SER A 45 -0.406 24.127 -14.692 1.00 25.00 C ATOM 645 C SER A 45 0.587 23.492 -15.663 1.00 25.00 C ATOM 646 O SER A 45 0.203 23.034 -16.730 1.00 25.00 O ATOM 647 CB SER A 45 -0.315 25.648 -14.804 1.00 25.00 C ATOM 648 OG SER A 45 0.870 26.122 -14.181 1.00 25.00 O ATOM 0 H SER A 45 0.202 24.462 -12.707 1.00 25.00 H new ATOM 0 HA SER A 45 -1.402 23.779 -14.965 1.00 25.00 H new ATOM 0 HB2 SER A 45 -0.324 25.943 -15.853 1.00 25.00 H new ATOM 0 HB3 SER A 45 -1.187 26.106 -14.337 1.00 25.00 H new ATOM 0 HG SER A 45 0.915 27.098 -14.262 1.00 25.00 H new ATOM 654 N CYS A 46 1.862 23.476 -15.292 1.00 25.00 N ATOM 655 CA CYS A 46 2.907 22.936 -16.166 1.00 25.00 C ATOM 656 C CYS A 46 3.380 21.562 -15.706 1.00 25.00 C ATOM 657 O CYS A 46 4.165 20.917 -16.388 1.00 25.00 O ATOM 658 CB CYS A 46 4.093 23.904 -16.225 1.00 25.00 C ATOM 659 SG CYS A 46 5.164 23.892 -14.748 1.00 25.00 S ATOM 0 H CYS A 46 2.200 23.828 -14.397 1.00 25.00 H new ATOM 0 HA CYS A 46 2.477 22.822 -17.161 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.699 23.661 -17.098 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.712 24.915 -16.372 1.00 25.00 H new ATOM 664 N LYS A 47 2.896 21.141 -14.538 1.00 25.00 N ATOM 665 CA LYS A 47 3.289 19.871 -13.894 1.00 25.00 C ATOM 666 C LYS A 47 4.785 19.861 -13.573 1.00 25.00 C ATOM 667 O LYS A 47 5.451 18.838 -13.678 1.00 25.00 O ATOM 668 CB LYS A 47 2.908 18.643 -14.750 1.00 25.00 C ATOM 669 CG LYS A 47 1.455 18.621 -15.243 1.00 25.00 C ATOM 670 CD LYS A 47 0.448 18.579 -14.099 1.00 25.00 C ATOM 671 CE LYS A 47 -0.965 18.554 -14.645 1.00 25.00 C ATOM 672 NZ LYS A 47 -1.958 18.688 -13.538 1.00 25.00 N ATOM 0 H LYS A 47 2.212 21.672 -14.000 1.00 25.00 H new ATOM 0 HA LYS A 47 2.732 19.801 -12.960 1.00 25.00 H new ATOM 0 HB2 LYS A 47 3.570 18.603 -15.615 1.00 25.00 H new ATOM 0 HB3 LYS A 47 3.091 17.741 -14.166 1.00 25.00 H new ATOM 0 HG2 LYS A 47 1.269 19.505 -15.854 1.00 25.00 H new ATOM 0 HG3 LYS A 47 1.306 17.753 -15.885 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.623 17.697 -13.483 1.00 25.00 H new ATOM 0 HD3 LYS A 47 0.581 19.449 -13.455 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -1.099 19.365 -15.361 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -1.136 17.622 -15.184 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -2.761 19.266 -13.860 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -2.299 17.745 -13.261 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -1.507 19.147 -12.721 1.00 25.00 H new ATOM 686 N CYS A 48 5.283 21.007 -13.130 1.00 25.00 N ATOM 687 CA CYS A 48 6.683 21.158 -12.730 1.00 25.00 C ATOM 688 C CYS A 48 6.750 21.720 -11.319 1.00 25.00 C ATOM 689 O CYS A 48 5.755 22.231 -10.805 1.00 25.00 O ATOM 690 CB CYS A 48 7.424 22.140 -13.654 1.00 25.00 C ATOM 691 SG CYS A 48 6.597 22.530 -15.228 1.00 25.00 S ATOM 0 H CYS A 48 4.732 21.860 -13.036 1.00 25.00 H new ATOM 0 HA CYS A 48 7.151 20.175 -12.789 1.00 25.00 H new ATOM 0 HB2 CYS A 48 7.584 23.071 -13.110 1.00 25.00 H new ATOM 0 HB3 CYS A 48 8.408 21.728 -13.876 1.00 25.00 H new ATOM 696 N CYS A 49 7.936 21.708 -10.729 1.00 25.00 N ATOM 697 CA CYS A 49 8.173 22.417 -9.475 1.00 25.00 C ATOM 698 C CYS A 49 8.846 23.735 -9.869 1.00 25.00 C ATOM 699 O CYS A 49 9.830 23.723 -10.601 1.00 25.00 O ATOM 700 CB CYS A 49 9.068 21.614 -8.537 1.00 25.00 C ATOM 701 SG CYS A 49 9.238 22.468 -6.945 1.00 25.00 S ATOM 0 H CYS A 49 8.751 21.216 -11.096 1.00 25.00 H new ATOM 0 HA CYS A 49 7.241 22.581 -8.934 1.00 25.00 H new ATOM 0 HB2 CYS A 49 8.646 20.621 -8.382 1.00 25.00 H new ATOM 0 HB3 CYS A 49 10.050 21.476 -8.990 1.00 25.00 H new ATOM 706 N THR A 50 8.254 24.857 -9.484 1.00 25.00 N ATOM 707 CA THR A 50 8.726 26.177 -9.921 1.00 25.00 C ATOM 708 C THR A 50 8.514 27.220 -8.818 1.00 25.00 C ATOM 709 O THR A 50 7.940 26.911 -7.774 1.00 25.00 O ATOM 710 CB THR A 50 8.034 26.603 -11.246 1.00 25.00 C ATOM 711 OG1 THR A 50 8.745 27.694 -11.833 1.00 25.00 O ATOM 712 CG2 THR A 50 6.599 27.026 -11.023 1.00 25.00 C ATOM 0 H THR A 50 7.442 24.886 -8.867 1.00 25.00 H new ATOM 0 HA THR A 50 9.796 26.111 -10.116 1.00 25.00 H new ATOM 0 HB THR A 50 8.040 25.737 -11.909 1.00 25.00 H new ATOM 0 HG1 THR A 50 8.307 27.958 -12.669 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.153 27.316 -11.974 1.00 25.00 H new ATOM 0 HG22 THR A 50 6.037 26.195 -10.597 1.00 25.00 H new ATOM 0 HG23 THR A 50 6.572 27.872 -10.337 1.00 25.00 H new ATOM 720 N TRP A 51 9.015 28.430 -9.032 1.00 25.00 N ATOM 721 CA TRP A 51 8.885 29.523 -8.061 1.00 25.00 C ATOM 722 C TRP A 51 7.417 29.809 -7.728 1.00 25.00 C ATOM 723 O TRP A 51 6.534 29.654 -8.573 1.00 25.00 O ATOM 724 CB TRP A 51 9.521 30.794 -8.630 1.00 25.00 C ATOM 725 CG TRP A 51 10.888 30.554 -9.195 1.00 25.00 C ATOM 726 CD1 TRP A 51 12.060 30.486 -8.517 1.00 25.00 C ATOM 727 CD2 TRP A 51 11.235 30.347 -10.581 1.00 25.00 C ATOM 728 NE1 TRP A 51 13.111 30.243 -9.351 1.00 25.00 N ATOM 729 CE2 TRP A 51 12.645 30.144 -10.634 1.00 25.00 C ATOM 730 CE3 TRP A 51 10.498 30.308 -11.782 1.00 25.00 C ATOM 731 CZ2 TRP A 51 13.329 29.897 -11.843 1.00 25.00 C ATOM 732 CZ3 TRP A 51 11.181 30.061 -13.003 1.00 25.00 C ATOM 733 CH2 TRP A 51 12.593 29.858 -13.016 1.00 25.00 C ATOM 0 H TRP A 51 9.522 28.687 -9.879 1.00 25.00 H new ATOM 0 HA TRP A 51 9.394 29.218 -7.147 1.00 25.00 H new ATOM 0 HB2 TRP A 51 8.876 31.200 -9.410 1.00 25.00 H new ATOM 0 HB3 TRP A 51 9.584 31.547 -7.844 1.00 25.00 H new ATOM 0 HD1 TRP A 51 12.150 30.609 -7.448 1.00 25.00 H new ATOM 0 HE1 TRP A 51 14.086 30.150 -9.065 1.00 25.00 H new ATOM 0 HE3 TRP A 51 9.429 30.464 -11.774 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 14.398 29.742 -11.854 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 10.627 30.027 -13.929 1.00 25.00 H new ATOM 0 HH2 TRP A 51 13.095 29.671 -13.954 1.00 25.00 H new ATOM 744 N ASN A 52 7.159 30.250 -6.503 1.00 25.00 N ATOM 745 CA ASN A 52 5.792 30.514 -6.040 1.00 25.00 C ATOM 746 C ASN A 52 5.227 31.862 -6.522 1.00 25.00 C ATOM 747 O ASN A 52 4.882 32.717 -5.721 1.00 25.00 O ATOM 748 CB ASN A 52 5.735 30.448 -4.505 1.00 25.00 C ATOM 749 CG ASN A 52 4.313 30.405 -3.974 1.00 25.00 C ATOM 750 OD1 ASN A 52 3.517 29.546 -4.350 1.00 25.00 O ATOM 751 ND2 ASN A 52 3.991 31.311 -3.094 1.00 25.00 N ATOM 0 H ASN A 52 7.879 30.435 -5.805 1.00 25.00 H new ATOM 0 HA ASN A 52 5.165 29.738 -6.479 1.00 25.00 H new ATOM 0 HB2 ASN A 52 6.273 29.564 -4.163 1.00 25.00 H new ATOM 0 HB3 ASN A 52 6.248 31.315 -4.089 1.00 25.00 H new ATOM 0 HD21 ASN A 52 3.053 31.323 -2.694 1.00 25.00 H new ATOM 0 HD22 ASN A 52 4.677 32.008 -2.805 1.00 25.00 H new ATOM 758 N GLY A 53 5.105 32.026 -7.832 1.00 25.00 N ATOM 759 CA GLY A 53 4.459 33.212 -8.383 1.00 25.00 C ATOM 760 C GLY A 53 5.206 34.518 -8.192 1.00 25.00 C ATOM 761 O GLY A 53 4.600 35.526 -7.855 1.00 25.00 O ATOM 0 H GLY A 53 5.441 31.361 -8.528 1.00 25.00 H new ATOM 0 HA2 GLY A 53 4.305 33.056 -9.451 1.00 25.00 H new ATOM 0 HA3 GLY A 53 3.473 33.309 -7.929 1.00 25.00 H new ATOM 765 N LEU A 54 6.513 34.511 -8.408 1.00 25.00 N ATOM 766 CA LEU A 54 7.310 35.738 -8.298 1.00 25.00 C ATOM 767 C LEU A 54 6.896 36.709 -9.413 1.00 25.00 C ATOM 768 O LEU A 54 6.872 36.336 -10.586 1.00 25.00 O ATOM 769 CB LEU A 54 8.799 35.397 -8.394 1.00 25.00 C ATOM 770 CG LEU A 54 9.754 36.522 -7.960 1.00 25.00 C ATOM 771 CD1 LEU A 54 11.014 35.900 -7.381 1.00 25.00 C ATOM 772 CD2 LEU A 54 10.121 37.453 -9.112 1.00 25.00 C ATOM 0 H LEU A 54 7.047 33.679 -8.659 1.00 25.00 H new ATOM 0 HA LEU A 54 7.131 36.214 -7.334 1.00 25.00 H new ATOM 0 HB2 LEU A 54 8.995 34.518 -7.780 1.00 25.00 H new ATOM 0 HB3 LEU A 54 9.028 35.124 -9.424 1.00 25.00 H new ATOM 0 HG LEU A 54 9.242 37.127 -7.212 1.00 25.00 H new ATOM 0 HD11 LEU A 54 11.699 36.689 -7.070 1.00 25.00 H new ATOM 0 HD12 LEU A 54 10.753 35.285 -6.520 1.00 25.00 H new ATOM 0 HD13 LEU A 54 11.494 35.280 -8.138 1.00 25.00 H new ATOM 0 HD21 LEU A 54 10.797 38.229 -8.752 1.00 25.00 H new ATOM 0 HD22 LEU A 54 10.612 36.881 -9.900 1.00 25.00 H new ATOM 0 HD23 LEU A 54 9.217 37.915 -9.509 1.00 25.00 H new ATOM 784 N VAL A 55 6.586 37.947 -9.044 1.00 25.00 N ATOM 785 CA VAL A 55 6.202 38.983 -10.006 1.00 25.00 C ATOM 786 C VAL A 55 7.240 40.112 -9.868 1.00 25.00 C ATOM 787 O VAL A 55 7.581 40.497 -8.757 1.00 25.00 O ATOM 788 CB VAL A 55 4.754 39.516 -9.715 1.00 25.00 C ATOM 789 CG1 VAL A 55 4.322 40.570 -10.751 1.00 25.00 C ATOM 790 CG2 VAL A 55 3.746 38.356 -9.743 1.00 25.00 C ATOM 0 H VAL A 55 6.593 38.264 -8.074 1.00 25.00 H new ATOM 0 HA VAL A 55 6.187 38.585 -11.021 1.00 25.00 H new ATOM 0 HB VAL A 55 4.770 39.977 -8.728 1.00 25.00 H new ATOM 0 HG11 VAL A 55 3.315 40.917 -10.519 1.00 25.00 H new ATOM 0 HG12 VAL A 55 5.012 41.413 -10.722 1.00 25.00 H new ATOM 0 HG13 VAL A 55 4.333 40.127 -11.747 1.00 25.00 H new ATOM 0 HG21 VAL A 55 2.746 38.738 -9.540 1.00 25.00 H new ATOM 0 HG22 VAL A 55 3.762 37.884 -10.725 1.00 25.00 H new ATOM 0 HG23 VAL A 55 4.015 37.622 -8.984 1.00 25.00 H new ATOM 800 N PRO A 56 7.803 40.611 -10.989 1.00 25.00 N ATOM 801 CA PRO A 56 8.844 41.645 -10.885 1.00 25.00 C ATOM 802 C PRO A 56 8.314 43.079 -10.721 1.00 25.00 C ATOM 803 O PRO A 56 9.090 44.041 -10.781 1.00 25.00 O ATOM 804 CB PRO A 56 9.570 41.507 -12.220 1.00 25.00 C ATOM 805 CG PRO A 56 8.487 41.170 -13.167 1.00 25.00 C ATOM 806 CD PRO A 56 7.571 40.238 -12.401 1.00 25.00 C ATOM 0 HA PRO A 56 9.456 41.497 -9.995 1.00 25.00 H new ATOM 0 HB2 PRO A 56 10.075 42.432 -12.500 1.00 25.00 H new ATOM 0 HB3 PRO A 56 10.330 40.727 -12.185 1.00 25.00 H new ATOM 0 HG2 PRO A 56 7.956 42.064 -13.494 1.00 25.00 H new ATOM 0 HG3 PRO A 56 8.881 40.688 -14.062 1.00 25.00 H new ATOM 0 HD2 PRO A 56 6.528 40.376 -12.687 1.00 25.00 H new ATOM 0 HD3 PRO A 56 7.817 39.192 -12.586 1.00 25.00 H new ATOM 814 N ARG A 57 7.004 43.223 -10.573 1.00 25.00 N ATOM 815 CA ARG A 57 6.341 44.523 -10.440 1.00 25.00 C ATOM 816 C ARG A 57 5.481 44.445 -9.201 1.00 25.00 C ATOM 817 O ARG A 57 5.052 45.498 -8.702 1.00 25.00 O ATOM 818 CB ARG A 57 5.433 44.818 -11.650 1.00 25.00 C ATOM 819 CG ARG A 57 6.129 44.924 -13.017 1.00 25.00 C ATOM 820 CD ARG A 57 6.954 46.205 -13.180 1.00 25.00 C ATOM 821 NE ARG A 57 8.238 46.111 -12.476 1.00 25.00 N ATOM 822 CZ ARG A 57 9.232 46.978 -12.544 1.00 25.00 C ATOM 823 NH1 ARG A 57 9.181 48.054 -13.293 1.00 25.00 N ATOM 824 NH2 ARG A 57 10.300 46.745 -11.845 1.00 25.00 N ATOM 825 OXT ARG A 57 5.199 43.304 -8.795 1.00 25.00 O ATOM 0 H ARG A 57 6.359 42.433 -10.541 1.00 25.00 H new ATOM 0 HA ARG A 57 7.088 45.314 -10.381 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.679 44.033 -11.711 1.00 25.00 H new ATOM 0 HB3 ARG A 57 4.906 45.753 -11.462 1.00 25.00 H new ATOM 0 HG2 ARG A 57 6.781 44.061 -13.153 1.00 25.00 H new ATOM 0 HG3 ARG A 57 5.376 44.882 -13.804 1.00 25.00 H new ATOM 0 HD2 ARG A 57 7.131 46.392 -14.239 1.00 25.00 H new ATOM 0 HD3 ARG A 57 6.389 47.054 -12.796 1.00 25.00 H new ATOM 0 HE ARG A 57 8.376 45.298 -11.876 1.00 25.00 H new ATOM 0 HH11 ARG A 57 8.350 48.247 -13.852 1.00 25.00 H new ATOM 0 HH12 ARG A 57 9.972 48.697 -13.316 1.00 25.00 H new ATOM 0 HH21 ARG A 57 10.356 45.910 -11.263 1.00 25.00 H new ATOM 0 HH22 ARG A 57 11.083 47.397 -11.878 1.00 25.00 H new TER 839 ARG A 57