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= 0.86 K(o=2,f=-4.5!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -174:sc= 1.11 (180deg=0.117) 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= 0.0177 USER MOD Set 3.1: A 16 ASN : amide:sc= 1.52 K(o=1.6,f=-4.1!) USER MOD Set 3.2: A 22 SER OG : rot 172:sc= 0.104 USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 7 GLN : amide:sc= 0.18 X(o=0.18,f=0.23) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.142 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00898 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.936) USER MOD Single : A 14 TYR OH : rot 10:sc= 1.26 USER MOD Single : A 21 SER OG : rot 57:sc= 0.882 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 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc=-0.00484 X(o=-0.0048,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 50:sc= 0.143 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0243 K(o=-0.024,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.176 -4.729 -4.800 1.00 25.00 N ATOM 2 CA GLY A 1 2.111 -3.686 -5.296 1.00 25.00 C ATOM 3 C GLY A 1 1.674 -3.156 -6.635 1.00 25.00 C ATOM 4 O GLY A 1 0.595 -3.507 -7.063 1.00 25.00 O ATOM 0 H1 GLY A 1 0.794 -4.442 -3.876 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.395 -4.845 -5.477 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.684 -5.631 -4.699 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.162 -2.868 -4.577 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.115 -4.103 -5.377 1.00 25.00 H new ATOM 10 N SER A 2 2.499 -2.339 -7.284 1.00 25.00 N ATOM 11 CA SER A 2 2.190 -1.763 -8.611 1.00 25.00 C ATOM 12 C SER A 2 0.818 -1.057 -8.682 1.00 25.00 C ATOM 13 O SER A 2 -0.117 -1.547 -9.308 1.00 25.00 O ATOM 14 CB SER A 2 2.278 -2.845 -9.701 1.00 25.00 C ATOM 15 OG SER A 2 2.530 -2.257 -10.960 1.00 25.00 O ATOM 0 H SER A 2 3.404 -2.051 -6.913 1.00 25.00 H new ATOM 0 HA SER A 2 2.943 -0.994 -8.784 1.00 25.00 H new ATOM 0 HB2 SER A 2 3.071 -3.552 -9.457 1.00 25.00 H new ATOM 0 HB3 SER A 2 1.347 -3.411 -9.737 1.00 25.00 H new ATOM 0 HG SER A 2 2.585 -2.958 -11.643 1.00 25.00 H new ATOM 21 N PRO A 3 0.678 0.109 -8.026 1.00 25.00 N ATOM 22 CA PRO A 3 -0.632 0.763 -8.121 1.00 25.00 C ATOM 23 C PRO A 3 -0.914 1.336 -9.514 1.00 25.00 C ATOM 24 O PRO A 3 -0.006 1.744 -10.237 1.00 25.00 O ATOM 25 CB PRO A 3 -0.525 1.881 -7.084 1.00 25.00 C ATOM 26 CG PRO A 3 0.913 2.232 -7.081 1.00 25.00 C ATOM 27 CD PRO A 3 1.620 0.908 -7.219 1.00 25.00 C ATOM 0 HA PRO A 3 -1.453 0.068 -7.946 1.00 25.00 H new ATOM 0 HB2 PRO A 3 -1.144 2.737 -7.354 1.00 25.00 H new ATOM 0 HB3 PRO A 3 -0.856 1.546 -6.101 1.00 25.00 H new ATOM 0 HG2 PRO A 3 1.160 2.903 -7.904 1.00 25.00 H new ATOM 0 HG3 PRO A 3 1.196 2.740 -6.159 1.00 25.00 H new ATOM 0 HD2 PRO A 3 2.585 1.016 -7.715 1.00 25.00 H new ATOM 0 HD3 PRO A 3 1.810 0.449 -6.249 1.00 25.00 H new ATOM 35 N THR A 4 -2.185 1.413 -9.872 1.00 25.00 N ATOM 36 CA THR A 4 -2.610 1.939 -11.175 1.00 25.00 C ATOM 37 C THR A 4 -2.558 3.468 -11.218 1.00 25.00 C ATOM 38 O THR A 4 -2.917 4.089 -12.211 1.00 25.00 O ATOM 39 CB THR A 4 -4.053 1.496 -11.470 1.00 25.00 C ATOM 40 OG1 THR A 4 -4.874 1.825 -10.347 1.00 25.00 O ATOM 41 CG2 THR A 4 -4.127 -0.003 -11.687 1.00 25.00 C ATOM 0 H THR A 4 -2.956 1.115 -9.274 1.00 25.00 H new ATOM 0 HA THR A 4 -1.922 1.544 -11.922 1.00 25.00 H new ATOM 0 HB THR A 4 -4.394 2.004 -12.372 1.00 25.00 H new ATOM 0 HG1 THR A 4 -5.797 1.549 -10.525 1.00 25.00 H new ATOM 0 HG21 THR A 4 -5.158 -0.290 -11.894 1.00 25.00 H new ATOM 0 HG22 THR A 4 -3.497 -0.280 -12.532 1.00 25.00 H new ATOM 0 HG23 THR A 4 -3.780 -0.518 -10.791 1.00 25.00 H new ATOM 49 N PHE A 5 -2.094 4.064 -10.132 1.00 25.00 N ATOM 50 CA PHE A 5 -1.989 5.516 -9.993 1.00 25.00 C ATOM 51 C PHE A 5 -1.142 6.168 -11.087 1.00 25.00 C ATOM 52 O PHE A 5 -1.521 7.190 -11.636 1.00 25.00 O ATOM 53 CB PHE A 5 -1.366 5.804 -8.624 1.00 25.00 C ATOM 54 CG PHE A 5 -1.278 7.265 -8.277 1.00 25.00 C ATOM 55 CD1 PHE A 5 -0.067 7.966 -8.447 1.00 25.00 C ATOM 56 CD2 PHE A 5 -2.386 7.940 -7.733 1.00 25.00 C ATOM 57 CE1 PHE A 5 0.053 9.317 -8.034 1.00 25.00 C ATOM 58 CE2 PHE A 5 -2.285 9.300 -7.353 1.00 25.00 C ATOM 59 CZ PHE A 5 -1.061 9.982 -7.499 1.00 25.00 C ATOM 0 H PHE A 5 -1.775 3.552 -9.310 1.00 25.00 H new ATOM 0 HA PHE A 5 -2.988 5.942 -10.087 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -1.951 5.296 -7.858 1.00 25.00 H new ATOM 0 HB3 PHE A 5 -0.364 5.375 -8.597 1.00 25.00 H new ATOM 0 HD1 PHE A 5 0.779 7.468 -8.897 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -3.322 7.416 -7.604 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.997 9.832 -8.131 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -3.146 9.814 -6.951 1.00 25.00 H new ATOM 0 HZ PHE A 5 -0.980 11.016 -7.199 1.00 25.00 H new ATOM 69 N CYS A 6 -0.005 5.559 -11.403 1.00 25.00 N ATOM 70 CA CYS A 6 0.915 6.108 -12.410 1.00 25.00 C ATOM 71 C CYS A 6 0.905 5.259 -13.703 1.00 25.00 C ATOM 72 O CYS A 6 1.312 5.711 -14.766 1.00 25.00 O ATOM 73 CB CYS A 6 2.325 6.200 -11.795 1.00 25.00 C ATOM 74 SG CYS A 6 3.712 6.509 -12.942 1.00 25.00 S ATOM 0 H CYS A 6 0.308 4.685 -10.980 1.00 25.00 H new ATOM 0 HA CYS A 6 0.587 7.107 -12.697 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.318 6.995 -11.050 1.00 25.00 H new ATOM 0 HB3 CYS A 6 2.525 5.269 -11.265 1.00 25.00 H new ATOM 79 N GLN A 7 0.387 4.042 -13.635 1.00 25.00 N ATOM 80 CA GLN A 7 0.296 3.207 -14.805 1.00 25.00 C ATOM 81 C GLN A 7 -0.701 3.778 -15.807 1.00 25.00 C ATOM 82 O GLN A 7 -1.851 4.065 -15.462 1.00 25.00 O ATOM 83 CB GLN A 7 -0.139 1.840 -14.381 1.00 25.00 C ATOM 84 CG GLN A 7 0.922 1.047 -13.644 1.00 25.00 C ATOM 85 CD GLN A 7 0.459 -0.354 -13.339 1.00 25.00 C ATOM 86 OE1 GLN A 7 0.427 -1.214 -14.195 1.00 25.00 O ATOM 87 NE2 GLN A 7 0.080 -0.577 -12.119 1.00 25.00 N ATOM 0 H GLN A 7 0.026 3.619 -12.780 1.00 25.00 H new ATOM 0 HA GLN A 7 1.271 3.162 -15.290 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -1.016 1.933 -13.741 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -0.447 1.280 -15.264 1.00 25.00 H new ATOM 0 HG2 GLN A 7 1.830 1.007 -14.246 1.00 25.00 H new ATOM 0 HG3 GLN A 7 1.177 1.556 -12.715 1.00 25.00 H new ATOM 0 HE21 GLN A 7 0.122 0.171 -11.427 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -0.260 -1.501 -11.851 1.00 25.00 H new ATOM 96 N GLY A 8 -0.258 3.933 -17.044 1.00 25.00 N ATOM 97 CA GLY A 8 -1.120 4.469 -18.086 1.00 25.00 C ATOM 98 C GLY A 8 -1.275 5.976 -18.005 1.00 25.00 C ATOM 99 O GLY A 8 -2.245 6.521 -18.525 1.00 25.00 O ATOM 0 H GLY A 8 0.686 3.698 -17.350 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -0.712 4.202 -19.061 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -2.103 4.003 -18.013 1.00 25.00 H new ATOM 103 N LYS A 9 -0.351 6.653 -17.332 1.00 25.00 N ATOM 104 CA LYS A 9 -0.393 8.112 -17.204 1.00 25.00 C ATOM 105 C LYS A 9 0.849 8.648 -17.856 1.00 25.00 C ATOM 106 O LYS A 9 1.808 7.910 -18.060 1.00 25.00 O ATOM 107 CB LYS A 9 -0.451 8.557 -15.749 1.00 25.00 C ATOM 108 CG LYS A 9 -1.862 8.605 -15.226 1.00 25.00 C ATOM 109 CD LYS A 9 -2.361 7.223 -14.896 1.00 25.00 C ATOM 110 CE LYS A 9 -3.710 7.231 -14.241 1.00 25.00 C ATOM 111 NZ LYS A 9 -4.150 5.808 -14.111 1.00 25.00 N ATOM 0 H LYS A 9 0.442 6.215 -16.863 1.00 25.00 H new ATOM 0 HA LYS A 9 -1.295 8.494 -17.683 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.138 7.874 -15.138 1.00 25.00 H new ATOM 0 HB3 LYS A 9 0.004 9.543 -15.654 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -1.903 9.233 -14.336 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -2.514 9.063 -15.969 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -2.410 6.632 -15.810 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -1.645 6.732 -14.237 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -3.659 7.708 -13.262 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -4.423 7.801 -14.837 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -5.157 5.778 -13.851 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -4.012 5.318 -15.018 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -3.588 5.337 -13.373 1.00 25.00 H new ATOM 125 N ALA A 10 0.830 9.928 -18.176 1.00 25.00 N ATOM 126 CA ALA A 10 2.003 10.576 -18.738 1.00 25.00 C ATOM 127 C ALA A 10 2.964 10.798 -17.573 1.00 25.00 C ATOM 128 O ALA A 10 2.521 11.074 -16.455 1.00 25.00 O ATOM 129 CB ALA A 10 1.610 11.913 -19.383 1.00 25.00 C ATOM 0 H ALA A 10 0.021 10.538 -18.058 1.00 25.00 H new ATOM 0 HA ALA A 10 2.465 9.968 -19.516 1.00 25.00 H new ATOM 0 HB1 ALA A 10 2.497 12.390 -19.801 1.00 25.00 H new ATOM 0 HB2 ALA A 10 0.885 11.735 -20.177 1.00 25.00 H new ATOM 0 HB3 ALA A 10 1.169 12.565 -18.629 1.00 25.00 H new ATOM 135 N ASP A 11 4.257 10.697 -17.837 1.00 25.00 N ATOM 136 CA ASP A 11 5.253 10.988 -16.820 1.00 25.00 C ATOM 137 C ASP A 11 5.167 12.484 -16.517 1.00 25.00 C ATOM 138 O ASP A 11 4.858 13.290 -17.402 1.00 25.00 O ATOM 139 CB ASP A 11 6.665 10.628 -17.302 1.00 25.00 C ATOM 140 CG ASP A 11 7.005 9.146 -17.098 1.00 25.00 C ATOM 141 OD1 ASP A 11 8.141 8.766 -17.455 1.00 25.00 O ATOM 142 OD2 ASP A 11 6.196 8.371 -16.538 1.00 25.00 O ATOM 0 H ASP A 11 4.639 10.418 -18.741 1.00 25.00 H new ATOM 0 HA ASP A 11 5.058 10.393 -15.928 1.00 25.00 H new ATOM 0 HB2 ASP A 11 6.756 10.874 -18.360 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.393 11.239 -16.768 1.00 25.00 H new ATOM 147 N GLY A 12 5.410 12.845 -15.269 1.00 25.00 N ATOM 148 CA GLY A 12 5.290 14.232 -14.846 1.00 25.00 C ATOM 149 C GLY A 12 4.845 14.322 -13.402 1.00 25.00 C ATOM 150 O GLY A 12 4.671 13.298 -12.738 1.00 25.00 O ATOM 0 H GLY A 12 5.691 12.199 -14.531 1.00 25.00 H new ATOM 0 HA2 GLY A 12 6.248 14.737 -14.967 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.574 14.750 -15.484 1.00 25.00 H new ATOM 154 N LEU A 13 4.666 15.536 -12.907 1.00 25.00 N ATOM 155 CA LEU A 13 4.259 15.757 -11.522 1.00 25.00 C ATOM 156 C LEU A 13 2.752 15.961 -11.394 1.00 25.00 C ATOM 157 O LEU A 13 2.114 16.555 -12.260 1.00 25.00 O ATOM 158 CB LEU A 13 4.969 16.986 -10.949 1.00 25.00 C ATOM 159 CG LEU A 13 6.504 17.027 -10.937 1.00 25.00 C ATOM 160 CD1 LEU A 13 6.951 18.202 -10.068 1.00 25.00 C ATOM 161 CD2 LEU A 13 7.124 15.751 -10.410 1.00 25.00 C ATOM 0 H LEU A 13 4.797 16.392 -13.446 1.00 25.00 H new ATOM 0 HA LEU A 13 4.538 14.863 -10.964 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.622 17.855 -11.507 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.629 17.111 -9.921 1.00 25.00 H new ATOM 0 HG LEU A 13 6.841 17.141 -11.967 1.00 25.00 H new ATOM 0 HD11 LEU A 13 8.040 18.246 -10.048 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.558 19.131 -10.481 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.575 18.068 -9.054 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.210 15.841 -10.426 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.789 15.579 -9.387 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.820 14.913 -11.037 1.00 25.00 H new ATOM 173 N TYR A 14 2.193 15.469 -10.302 1.00 25.00 N ATOM 174 CA TYR A 14 0.754 15.523 -10.050 1.00 25.00 C ATOM 175 C TYR A 14 0.524 16.049 -8.621 1.00 25.00 C ATOM 176 O TYR A 14 1.413 15.942 -7.769 1.00 25.00 O ATOM 177 CB TYR A 14 0.163 14.113 -10.229 1.00 25.00 C ATOM 178 CG TYR A 14 0.174 13.642 -11.664 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.307 13.021 -12.191 1.00 25.00 C ATOM 180 CD2 TYR A 14 -0.950 13.817 -12.499 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.348 12.584 -13.540 1.00 25.00 C ATOM 182 CE2 TYR A 14 -0.921 13.378 -13.856 1.00 25.00 C ATOM 183 CZ TYR A 14 0.229 12.764 -14.357 1.00 25.00 C ATOM 184 OH TYR A 14 0.253 12.337 -15.663 1.00 25.00 O ATOM 0 H TYR A 14 2.724 15.017 -9.557 1.00 25.00 H new ATOM 0 HA TYR A 14 0.259 16.194 -10.752 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.728 13.409 -9.618 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.862 14.106 -9.859 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.170 12.870 -11.559 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.840 14.287 -12.107 1.00 25.00 H new ATOM 0 HE1 TYR A 14 2.238 12.115 -13.933 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -1.783 13.520 -14.492 1.00 25.00 H new ATOM 0 HH TYR A 14 1.051 11.788 -15.813 1.00 25.00 H new ATOM 194 N PRO A 15 -0.647 16.668 -8.357 1.00 25.00 N ATOM 195 CA PRO A 15 -0.831 17.283 -7.033 1.00 25.00 C ATOM 196 C PRO A 15 -0.947 16.312 -5.859 1.00 25.00 C ATOM 197 O PRO A 15 -1.608 15.281 -5.931 1.00 25.00 O ATOM 198 CB PRO A 15 -2.129 18.084 -7.203 1.00 25.00 C ATOM 199 CG PRO A 15 -2.880 17.341 -8.242 1.00 25.00 C ATOM 200 CD PRO A 15 -1.822 16.909 -9.220 1.00 25.00 C ATOM 0 HA PRO A 15 0.048 17.870 -6.766 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -2.689 18.139 -6.269 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -1.927 19.109 -7.514 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.405 16.485 -7.819 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -3.630 17.971 -8.719 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -2.116 16.010 -9.761 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.624 17.679 -9.966 1.00 25.00 H new ATOM 208 N ASN A 16 -0.272 16.679 -4.781 1.00 25.00 N ATOM 209 CA ASN A 16 -0.184 15.908 -3.539 1.00 25.00 C ATOM 210 C ASN A 16 -1.400 16.164 -2.629 1.00 25.00 C ATOM 211 O ASN A 16 -2.111 17.146 -2.807 1.00 25.00 O ATOM 212 CB ASN A 16 1.097 16.320 -2.816 1.00 25.00 C ATOM 213 CG ASN A 16 1.043 17.731 -2.333 1.00 25.00 C ATOM 214 OD1 ASN A 16 0.784 18.658 -3.088 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.247 17.901 -1.076 1.00 25.00 N ATOM 0 H ASN A 16 0.251 17.554 -4.740 1.00 25.00 H new ATOM 0 HA ASN A 16 -0.172 14.845 -3.778 1.00 25.00 H new ATOM 0 HB2 ASN A 16 1.265 15.654 -1.969 1.00 25.00 H new ATOM 0 HB3 ASN A 16 1.946 16.200 -3.489 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.196 18.837 -0.673 1.00 25.00 H new ATOM 0 HD22 ASN A 16 1.460 17.100 -0.481 1.00 25.00 H new ATOM 222 N PRO A 17 -1.690 15.247 -1.682 1.00 25.00 N ATOM 223 CA PRO A 17 -2.942 15.399 -0.928 1.00 25.00 C ATOM 224 C PRO A 17 -2.996 16.446 0.197 1.00 25.00 C ATOM 225 O PRO A 17 -4.091 16.853 0.585 1.00 25.00 O ATOM 226 CB PRO A 17 -3.122 14.009 -0.317 1.00 25.00 C ATOM 227 CG PRO A 17 -1.740 13.568 -0.062 1.00 25.00 C ATOM 228 CD PRO A 17 -0.986 14.009 -1.284 1.00 25.00 C ATOM 0 HA PRO A 17 -3.712 15.764 -1.608 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -3.708 14.046 0.601 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -3.640 13.334 -0.999 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -1.336 14.024 0.842 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -1.684 12.488 0.073 1.00 25.00 H new ATOM 0 HD2 PRO A 17 0.065 14.196 -1.064 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -1.018 13.256 -2.071 1.00 25.00 H new ATOM 236 N ARG A 18 -1.861 16.816 0.793 1.00 25.00 N ATOM 237 CA ARG A 18 -1.890 17.684 1.992 1.00 25.00 C ATOM 238 C ARG A 18 -0.724 18.655 2.167 1.00 25.00 C ATOM 239 O ARG A 18 -0.889 19.775 2.642 1.00 25.00 O ATOM 240 CB ARG A 18 -1.926 16.762 3.228 1.00 25.00 C ATOM 241 CG ARG A 18 -1.802 17.480 4.575 1.00 25.00 C ATOM 242 CD ARG A 18 -1.796 16.486 5.721 1.00 25.00 C ATOM 243 NE ARG A 18 -1.440 17.130 7.002 1.00 25.00 N ATOM 244 CZ ARG A 18 -2.288 17.747 7.824 1.00 25.00 C ATOM 245 NH1 ARG A 18 -3.568 17.855 7.562 1.00 25.00 N ATOM 246 NH2 ARG A 18 -1.831 18.269 8.931 1.00 25.00 N ATOM 0 H ARG A 18 -0.929 16.542 0.483 1.00 25.00 H new ATOM 0 HA ARG A 18 -2.768 18.318 1.869 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -2.861 16.201 3.217 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -1.117 16.036 3.145 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -0.885 18.069 4.594 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -2.631 18.177 4.698 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -2.780 16.024 5.807 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -1.086 15.687 5.506 1.00 25.00 H new ATOM 0 HE ARG A 18 -0.460 17.100 7.282 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -3.948 17.459 6.702 1.00 25.00 H new ATOM 0 HH12 ARG A 18 -4.184 18.335 8.218 1.00 25.00 H new ATOM 0 HH21 ARG A 18 -0.838 18.201 9.155 1.00 25.00 H new ATOM 0 HH22 ARG A 18 -2.467 18.745 9.571 1.00 25.00 H new ATOM 260 N GLU A 19 0.468 18.153 1.940 1.00 25.00 N ATOM 261 CA GLU A 19 1.694 18.851 2.297 1.00 25.00 C ATOM 262 C GLU A 19 1.951 20.106 1.453 1.00 25.00 C ATOM 263 O GLU A 19 1.382 20.284 0.389 1.00 25.00 O ATOM 264 CB GLU A 19 2.880 17.897 2.153 1.00 25.00 C ATOM 265 CG GLU A 19 2.631 16.465 2.692 1.00 25.00 C ATOM 266 CD GLU A 19 2.164 15.483 1.602 1.00 25.00 C ATOM 267 OE1 GLU A 19 2.959 14.597 1.238 1.00 25.00 O ATOM 268 OE2 GLU A 19 1.038 15.636 1.068 1.00 25.00 O ATOM 0 H GLU A 19 0.621 17.245 1.501 1.00 25.00 H new ATOM 0 HA GLU A 19 1.577 19.182 3.329 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.150 17.832 1.099 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.737 18.323 2.675 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.549 16.088 3.143 1.00 25.00 H new ATOM 0 HG3 GLU A 19 1.881 16.506 3.482 1.00 25.00 H new ATOM 275 N ARG A 20 2.826 20.976 1.937 1.00 25.00 N ATOM 276 CA ARG A 20 3.134 22.222 1.226 1.00 25.00 C ATOM 277 C ARG A 20 4.169 22.042 0.113 1.00 25.00 C ATOM 278 O ARG A 20 4.154 22.763 -0.874 1.00 25.00 O ATOM 279 CB ARG A 20 3.653 23.251 2.245 1.00 25.00 C ATOM 280 CG ARG A 20 3.913 24.653 1.683 1.00 25.00 C ATOM 281 CD ARG A 20 2.657 25.233 1.053 1.00 25.00 C ATOM 282 NE ARG A 20 2.792 26.669 0.759 1.00 25.00 N ATOM 283 CZ ARG A 20 2.459 27.661 1.579 1.00 25.00 C ATOM 284 NH1 ARG A 20 1.970 27.451 2.780 1.00 25.00 N ATOM 285 NH2 ARG A 20 2.640 28.893 1.188 1.00 25.00 N ATOM 0 H ARG A 20 3.335 20.850 2.812 1.00 25.00 H new ATOM 0 HA ARG A 20 2.216 22.562 0.747 1.00 25.00 H new ATOM 0 HB2 ARG A 20 2.930 23.331 3.057 1.00 25.00 H new ATOM 0 HB3 ARG A 20 4.579 22.874 2.679 1.00 25.00 H new ATOM 0 HG2 ARG A 20 4.259 25.309 2.481 1.00 25.00 H new ATOM 0 HG3 ARG A 20 4.709 24.608 0.939 1.00 25.00 H new ATOM 0 HD2 ARG A 20 2.434 24.695 0.132 1.00 25.00 H new ATOM 0 HD3 ARG A 20 1.812 25.080 1.724 1.00 25.00 H new ATOM 0 HE ARG A 20 3.174 26.925 -0.152 1.00 25.00 H new ATOM 0 HH11 ARG A 20 1.833 26.497 3.115 1.00 25.00 H new ATOM 0 HH12 ARG A 20 1.728 28.241 3.377 1.00 25.00 H new ATOM 0 HH21 ARG A 20 3.032 29.083 0.266 1.00 25.00 H new ATOM 0 HH22 ARG A 20 2.390 29.666 1.805 1.00 25.00 H new ATOM 299 N SER A 21 5.114 21.147 0.346 1.00 25.00 N ATOM 300 CA SER A 21 6.288 21.004 -0.531 1.00 25.00 C ATOM 301 C SER A 21 6.306 19.747 -1.406 1.00 25.00 C ATOM 302 O SER A 21 7.036 19.695 -2.389 1.00 25.00 O ATOM 303 CB SER A 21 7.552 21.023 0.343 1.00 25.00 C ATOM 304 OG SER A 21 8.739 20.877 -0.415 1.00 25.00 O ATOM 0 H SER A 21 5.100 20.501 1.135 1.00 25.00 H new ATOM 0 HA SER A 21 6.245 21.840 -1.229 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.592 21.961 0.897 1.00 25.00 H new ATOM 0 HB3 SER A 21 7.493 20.220 1.078 1.00 25.00 H new ATOM 0 HG SER A 21 8.780 21.579 -1.098 1.00 25.00 H new ATOM 310 N SER A 22 5.571 18.707 -1.037 1.00 25.00 N ATOM 311 CA SER A 22 5.657 17.450 -1.780 1.00 25.00 C ATOM 312 C SER A 22 4.792 17.446 -3.026 1.00 25.00 C ATOM 313 O SER A 22 3.889 18.259 -3.176 1.00 25.00 O ATOM 314 CB SER A 22 5.273 16.270 -0.895 1.00 25.00 C ATOM 315 OG SER A 22 3.892 16.301 -0.610 1.00 25.00 O ATOM 0 H SER A 22 4.923 18.702 -0.249 1.00 25.00 H new ATOM 0 HA SER A 22 6.696 17.353 -2.095 1.00 25.00 H new ATOM 0 HB2 SER A 22 5.527 15.335 -1.394 1.00 25.00 H new ATOM 0 HB3 SER A 22 5.844 16.302 0.033 1.00 25.00 H new ATOM 0 HG SER A 22 3.633 15.471 -0.157 1.00 25.00 H new ATOM 321 N PHE A 23 5.069 16.495 -3.903 1.00 25.00 N ATOM 322 CA PHE A 23 4.287 16.269 -5.102 1.00 25.00 C ATOM 323 C PHE A 23 4.223 14.770 -5.309 1.00 25.00 C ATOM 324 O PHE A 23 4.948 14.004 -4.662 1.00 25.00 O ATOM 325 CB PHE A 23 4.944 16.943 -6.316 1.00 25.00 C ATOM 326 CG PHE A 23 6.411 16.650 -6.457 1.00 25.00 C ATOM 327 CD1 PHE A 23 7.339 17.642 -6.158 1.00 25.00 C ATOM 328 CD2 PHE A 23 6.874 15.398 -6.903 1.00 25.00 C ATOM 329 CE1 PHE A 23 8.729 17.403 -6.288 1.00 25.00 C ATOM 330 CE2 PHE A 23 8.256 15.149 -7.051 1.00 25.00 C ATOM 331 CZ PHE A 23 9.184 16.157 -6.737 1.00 25.00 C ATOM 0 H PHE A 23 5.854 15.852 -3.799 1.00 25.00 H new ATOM 0 HA PHE A 23 3.289 16.695 -4.995 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.430 16.619 -7.221 1.00 25.00 H new ATOM 0 HB3 PHE A 23 4.805 18.021 -6.240 1.00 25.00 H new ATOM 0 HD1 PHE A 23 6.995 18.609 -5.822 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.164 14.618 -7.135 1.00 25.00 H new ATOM 0 HE1 PHE A 23 9.437 18.180 -6.041 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.599 14.188 -7.404 1.00 25.00 H new ATOM 0 HZ PHE A 23 10.243 15.971 -6.842 1.00 25.00 H new ATOM 341 N TYR A 24 3.449 14.365 -6.294 1.00 25.00 N ATOM 342 CA TYR A 24 3.475 12.992 -6.768 1.00 25.00 C ATOM 343 C TYR A 24 4.231 13.102 -8.061 1.00 25.00 C ATOM 344 O TYR A 24 4.113 14.096 -8.758 1.00 25.00 O ATOM 345 CB TYR A 24 2.086 12.464 -7.104 1.00 25.00 C ATOM 346 CG TYR A 24 1.268 12.002 -5.934 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.619 10.848 -5.222 1.00 25.00 C ATOM 348 CD2 TYR A 24 0.110 12.688 -5.563 1.00 25.00 C ATOM 349 CE1 TYR A 24 0.809 10.378 -4.146 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.706 12.231 -4.495 1.00 25.00 C ATOM 351 CZ TYR A 24 -0.345 11.077 -3.797 1.00 25.00 C ATOM 352 OH TYR A 24 -1.134 10.623 -2.772 1.00 25.00 O ATOM 0 H TYR A 24 2.790 14.968 -6.786 1.00 25.00 H new ATOM 0 HA TYR A 24 3.899 12.324 -6.018 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.535 13.248 -7.623 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.192 11.633 -7.802 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.514 10.307 -5.491 1.00 25.00 H new ATOM 0 HD2 TYR A 24 -0.170 13.583 -6.099 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.088 9.486 -3.605 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.600 12.773 -4.224 1.00 25.00 H new ATOM 0 HH TYR A 24 -1.899 11.225 -2.656 1.00 25.00 H new ATOM 362 N SER A 25 4.992 12.081 -8.388 1.00 25.00 N ATOM 363 CA SER A 25 5.727 12.042 -9.633 1.00 25.00 C ATOM 364 C SER A 25 5.480 10.689 -10.256 1.00 25.00 C ATOM 365 O SER A 25 5.515 9.658 -9.578 1.00 25.00 O ATOM 366 CB SER A 25 7.216 12.249 -9.378 1.00 25.00 C ATOM 367 OG SER A 25 7.955 12.152 -10.580 1.00 25.00 O ATOM 0 H SER A 25 5.119 11.257 -7.801 1.00 25.00 H new ATOM 0 HA SER A 25 5.396 12.838 -10.301 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.378 13.227 -8.925 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.573 11.505 -8.666 1.00 25.00 H new ATOM 0 HG SER A 25 8.907 12.290 -10.391 1.00 25.00 H new ATOM 373 N CYS A 26 5.198 10.706 -11.541 1.00 25.00 N ATOM 374 CA CYS A 26 5.007 9.501 -12.314 1.00 25.00 C ATOM 375 C CYS A 26 6.231 9.505 -13.217 1.00 25.00 C ATOM 376 O CYS A 26 6.475 10.491 -13.904 1.00 25.00 O ATOM 377 CB CYS A 26 3.688 9.594 -13.095 1.00 25.00 C ATOM 378 SG CYS A 26 3.215 8.128 -14.070 1.00 25.00 S ATOM 0 H CYS A 26 5.094 11.565 -12.082 1.00 25.00 H new ATOM 0 HA CYS A 26 4.927 8.582 -11.733 1.00 25.00 H new ATOM 0 HB2 CYS A 26 2.887 9.806 -12.387 1.00 25.00 H new ATOM 0 HB3 CYS A 26 3.751 10.447 -13.770 1.00 25.00 H new ATOM 383 N ALA A 27 7.054 8.471 -13.120 1.00 25.00 N ATOM 384 CA ALA A 27 8.306 8.409 -13.871 1.00 25.00 C ATOM 385 C ALA A 27 8.576 6.969 -14.280 1.00 25.00 C ATOM 386 O ALA A 27 8.623 6.080 -13.425 1.00 25.00 O ATOM 387 CB ALA A 27 9.460 8.949 -13.010 1.00 25.00 C ATOM 0 H ALA A 27 6.879 7.659 -12.527 1.00 25.00 H new ATOM 0 HA ALA A 27 8.227 9.025 -14.767 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.390 8.900 -13.576 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.256 9.984 -12.736 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.553 8.346 -12.107 1.00 25.00 H new ATOM 393 N ALA A 28 8.700 6.735 -15.583 1.00 25.00 N ATOM 394 CA ALA A 28 8.886 5.401 -16.164 1.00 25.00 C ATOM 395 C ALA A 28 7.748 4.453 -15.744 1.00 25.00 C ATOM 396 O ALA A 28 7.950 3.246 -15.576 1.00 25.00 O ATOM 397 CB ALA A 28 10.272 4.824 -15.782 1.00 25.00 C ATOM 0 H ALA A 28 8.674 7.478 -16.281 1.00 25.00 H new ATOM 0 HA ALA A 28 8.852 5.494 -17.249 1.00 25.00 H new ATOM 0 HB1 ALA A 28 10.388 3.834 -16.224 1.00 25.00 H new ATOM 0 HB2 ALA A 28 11.056 5.483 -16.156 1.00 25.00 H new ATOM 0 HB3 ALA A 28 10.348 4.749 -14.697 1.00 25.00 H new ATOM 403 N GLY A 29 6.562 5.016 -15.542 1.00 25.00 N ATOM 404 CA GLY A 29 5.415 4.225 -15.121 1.00 25.00 C ATOM 405 C GLY A 29 5.454 3.824 -13.651 1.00 25.00 C ATOM 406 O GLY A 29 4.630 3.020 -13.200 1.00 25.00 O ATOM 0 H GLY A 29 6.372 6.011 -15.662 1.00 25.00 H new ATOM 0 HA2 GLY A 29 4.504 4.793 -15.309 1.00 25.00 H new ATOM 0 HA3 GLY A 29 5.361 3.325 -15.733 1.00 25.00 H new ATOM 410 N ARG A 30 6.407 4.371 -12.899 1.00 25.00 N ATOM 411 CA ARG A 30 6.562 4.054 -11.477 1.00 25.00 C ATOM 412 C ARG A 30 6.234 5.278 -10.643 1.00 25.00 C ATOM 413 O ARG A 30 6.390 6.410 -11.092 1.00 25.00 O ATOM 414 CB ARG A 30 8.001 3.605 -11.184 1.00 25.00 C ATOM 415 CG ARG A 30 8.518 2.463 -12.069 1.00 25.00 C ATOM 416 CD ARG A 30 7.638 1.211 -11.997 1.00 25.00 C ATOM 417 NE ARG A 30 8.160 0.142 -12.865 1.00 25.00 N ATOM 418 CZ ARG A 30 9.020 -0.801 -12.494 1.00 25.00 C ATOM 419 NH1 ARG A 30 9.512 -0.866 -11.279 1.00 25.00 N ATOM 420 NH2 ARG A 30 9.399 -1.696 -13.364 1.00 25.00 N ATOM 0 H ARG A 30 7.090 5.041 -13.253 1.00 25.00 H new ATOM 0 HA ARG A 30 5.880 3.243 -11.222 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.664 4.463 -11.300 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.063 3.293 -10.141 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.571 2.806 -13.102 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.533 2.206 -11.766 1.00 25.00 H new ATOM 0 HD2 ARG A 30 7.590 0.856 -10.968 1.00 25.00 H new ATOM 0 HD3 ARG A 30 6.620 1.461 -12.296 1.00 25.00 H new ATOM 0 HE ARG A 30 7.834 0.124 -13.831 1.00 25.00 H new ATOM 0 HH11 ARG A 30 9.236 -0.177 -10.580 1.00 25.00 H new ATOM 0 HH12 ARG A 30 10.170 -1.606 -11.034 1.00 25.00 H new ATOM 0 HH21 ARG A 30 9.036 -1.667 -14.317 1.00 25.00 H new ATOM 0 HH22 ARG A 30 10.059 -2.425 -13.092 1.00 25.00 H new ATOM 434 N LEU A 31 5.762 5.043 -9.430 1.00 25.00 N ATOM 435 CA LEU A 31 5.364 6.124 -8.538 1.00 25.00 C ATOM 436 C LEU A 31 6.533 6.600 -7.689 1.00 25.00 C ATOM 437 O LEU A 31 7.203 5.798 -7.046 1.00 25.00 O ATOM 438 CB LEU A 31 4.258 5.631 -7.599 1.00 25.00 C ATOM 439 CG LEU A 31 3.050 6.560 -7.423 1.00 25.00 C ATOM 440 CD1 LEU A 31 2.080 5.925 -6.430 1.00 25.00 C ATOM 441 CD2 LEU A 31 3.421 7.954 -6.934 1.00 25.00 C ATOM 0 H LEU A 31 5.644 4.109 -9.037 1.00 25.00 H new ATOM 0 HA LEU A 31 5.011 6.951 -9.154 1.00 25.00 H new ATOM 0 HB2 LEU A 31 3.899 4.670 -7.968 1.00 25.00 H new ATOM 0 HB3 LEU A 31 4.697 5.452 -6.618 1.00 25.00 H new ATOM 0 HG LEU A 31 2.596 6.682 -8.406 1.00 25.00 H new ATOM 0 HD11 LEU A 31 1.217 6.577 -6.297 1.00 25.00 H new ATOM 0 HD12 LEU A 31 1.750 4.959 -6.811 1.00 25.00 H new ATOM 0 HD13 LEU A 31 2.580 5.785 -5.472 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.518 8.556 -6.832 1.00 25.00 H new ATOM 0 HD22 LEU A 31 3.919 7.880 -5.967 1.00 25.00 H new ATOM 0 HD23 LEU A 31 4.092 8.425 -7.652 1.00 25.00 H new ATOM 453 N PHE A 32 6.716 7.908 -7.632 1.00 25.00 N ATOM 454 CA PHE A 32 7.663 8.532 -6.719 1.00 25.00 C ATOM 455 C PHE A 32 6.891 9.618 -5.980 1.00 0.00 C ATOM 456 O PHE A 32 6.087 10.317 -6.576 1.00 25.00 O ATOM 457 CB PHE A 32 8.832 9.157 -7.483 1.00 25.00 C ATOM 458 CG PHE A 32 9.822 8.153 -7.991 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.555 7.415 -9.152 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.037 7.947 -7.312 1.00 25.00 C ATOM 461 CE1 PHE A 32 10.494 6.475 -9.645 1.00 25.00 C ATOM 462 CE2 PHE A 32 11.984 7.003 -7.789 1.00 25.00 C ATOM 463 CZ PHE A 32 11.714 6.273 -8.961 1.00 25.00 C ATOM 0 H PHE A 32 6.211 8.571 -8.219 1.00 25.00 H new ATOM 0 HA PHE A 32 8.082 7.794 -6.035 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.441 9.728 -8.325 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.346 9.863 -6.831 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.623 7.564 -9.677 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.252 8.513 -6.418 1.00 25.00 H new ATOM 0 HE1 PHE A 32 10.278 5.914 -10.542 1.00 25.00 H new ATOM 0 HE2 PHE A 32 12.909 6.846 -7.254 1.00 25.00 H new ATOM 0 HZ PHE A 32 12.435 5.562 -9.336 1.00 25.00 H new ATOM 473 N GLN A 33 7.123 9.757 -4.686 1.00 25.00 N ATOM 474 CA GLN A 33 6.538 10.845 -3.906 1.00 25.00 C ATOM 475 C GLN A 33 7.724 11.604 -3.322 1.00 25.00 C ATOM 476 O GLN A 33 8.490 11.039 -2.548 1.00 25.00 O ATOM 477 CB GLN A 33 5.610 10.288 -2.830 1.00 25.00 C ATOM 478 CG GLN A 33 4.288 9.773 -3.410 1.00 25.00 C ATOM 479 CD GLN A 33 3.519 8.911 -2.440 1.00 25.00 C ATOM 480 OE1 GLN A 33 3.405 7.706 -2.627 1.00 25.00 O ATOM 481 NE2 GLN A 33 2.984 9.512 -1.413 1.00 25.00 N ATOM 0 H GLN A 33 7.716 9.127 -4.146 1.00 25.00 H new ATOM 0 HA GLN A 33 5.918 11.510 -4.508 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.113 9.477 -2.304 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.403 11.065 -2.094 1.00 25.00 H new ATOM 0 HG2 GLN A 33 3.670 10.622 -3.703 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.492 9.200 -4.315 1.00 25.00 H new ATOM 0 HE21 GLN A 33 3.102 10.518 -1.292 1.00 25.00 H new ATOM 0 HE22 GLN A 33 2.448 8.976 -0.731 1.00 25.00 H new ATOM 490 N GLN A 34 7.945 12.825 -3.785 1.00 25.00 N ATOM 491 CA GLN A 34 9.154 13.591 -3.451 1.00 25.00 C ATOM 492 C GLN A 34 8.771 15.054 -3.259 1.00 25.00 C ATOM 493 O GLN A 34 7.611 15.395 -3.419 1.00 25.00 O ATOM 494 CB GLN A 34 10.181 13.446 -4.576 1.00 25.00 C ATOM 495 CG GLN A 34 10.834 12.066 -4.644 1.00 25.00 C ATOM 496 CD GLN A 34 11.767 11.932 -5.821 1.00 25.00 C ATOM 497 OE1 GLN A 34 11.352 12.004 -6.962 1.00 25.00 O ATOM 498 NE2 GLN A 34 13.027 11.719 -5.549 1.00 25.00 N ATOM 0 H GLN A 34 7.299 13.318 -4.401 1.00 25.00 H new ATOM 0 HA GLN A 34 9.597 13.213 -2.530 1.00 25.00 H new ATOM 0 HB2 GLN A 34 9.694 13.654 -5.529 1.00 25.00 H new ATOM 0 HB3 GLN A 34 10.958 14.199 -4.445 1.00 25.00 H new ATOM 0 HG2 GLN A 34 11.386 11.882 -3.723 1.00 25.00 H new ATOM 0 HG3 GLN A 34 10.059 11.302 -4.709 1.00 25.00 H new ATOM 0 HE21 GLN A 34 13.337 11.665 -4.579 1.00 25.00 H new ATOM 0 HE22 GLN A 34 13.700 11.607 -6.307 1.00 25.00 H new ATOM 507 N SER A 35 9.723 15.903 -2.877 1.00 25.00 N ATOM 508 CA SER A 35 9.426 17.300 -2.562 1.00 25.00 C ATOM 509 C SER A 35 10.227 18.337 -3.351 1.00 25.00 C ATOM 510 O SER A 35 11.329 18.068 -3.830 1.00 25.00 O ATOM 511 CB SER A 35 9.659 17.519 -1.066 1.00 25.00 C ATOM 512 OG SER A 35 10.997 17.196 -0.717 1.00 25.00 O ATOM 0 H SER A 35 10.706 15.649 -2.778 1.00 25.00 H new ATOM 0 HA SER A 35 8.388 17.458 -2.853 1.00 25.00 H new ATOM 0 HB2 SER A 35 9.450 18.557 -0.808 1.00 25.00 H new ATOM 0 HB3 SER A 35 8.968 16.903 -0.491 1.00 25.00 H new ATOM 0 HG SER A 35 11.129 17.343 0.243 1.00 25.00 H new ATOM 518 N CYS A 36 9.654 19.530 -3.445 1.00 25.00 N ATOM 519 CA CYS A 36 10.269 20.697 -4.085 1.00 25.00 C ATOM 520 C CYS A 36 10.562 21.722 -2.976 1.00 25.00 C ATOM 521 O CYS A 36 9.646 22.398 -2.506 1.00 25.00 O ATOM 522 CB CYS A 36 9.304 21.302 -5.113 1.00 25.00 C ATOM 523 SG CYS A 36 9.613 20.698 -6.802 1.00 25.00 S ATOM 0 H CYS A 36 8.725 19.723 -3.070 1.00 25.00 H new ATOM 0 HA CYS A 36 11.184 20.415 -4.605 1.00 25.00 H new ATOM 0 HB2 CYS A 36 8.279 21.064 -4.828 1.00 25.00 H new ATOM 0 HB3 CYS A 36 9.396 22.388 -5.097 1.00 25.00 H new ATOM 528 N PRO A 37 11.814 21.774 -2.472 1.00 25.00 N ATOM 529 CA PRO A 37 12.079 22.622 -1.300 1.00 25.00 C ATOM 530 C PRO A 37 12.250 24.142 -1.551 1.00 25.00 C ATOM 531 O PRO A 37 11.296 24.904 -1.457 1.00 25.00 O ATOM 532 CB PRO A 37 13.344 21.982 -0.714 1.00 25.00 C ATOM 533 CG PRO A 37 14.077 21.458 -1.907 1.00 25.00 C ATOM 534 CD PRO A 37 13.005 20.987 -2.860 1.00 25.00 C ATOM 0 HA PRO A 37 11.213 22.637 -0.638 1.00 25.00 H new ATOM 0 HB2 PRO A 37 13.942 22.711 -0.168 1.00 25.00 H new ATOM 0 HB3 PRO A 37 13.099 21.183 -0.015 1.00 25.00 H new ATOM 0 HG2 PRO A 37 14.694 22.234 -2.361 1.00 25.00 H new ATOM 0 HG3 PRO A 37 14.744 20.641 -1.631 1.00 25.00 H new ATOM 0 HD2 PRO A 37 13.284 21.170 -3.898 1.00 25.00 H new ATOM 0 HD3 PRO A 37 12.826 19.916 -2.762 1.00 25.00 H new ATOM 542 N THR A 38 13.472 24.599 -1.773 1.00 25.00 N ATOM 543 CA THR A 38 13.772 26.018 -1.834 1.00 25.00 C ATOM 544 C THR A 38 13.378 26.708 -3.131 1.00 25.00 C ATOM 545 O THR A 38 13.947 26.443 -4.185 1.00 25.00 O ATOM 546 CB THR A 38 15.270 26.194 -1.663 1.00 25.00 C ATOM 547 OG1 THR A 38 15.936 25.117 -2.330 1.00 25.00 O ATOM 548 CG2 THR A 38 15.648 26.149 -0.196 1.00 25.00 C ATOM 0 H THR A 38 14.282 23.996 -1.916 1.00 25.00 H new ATOM 0 HA THR A 38 13.181 26.480 -1.043 1.00 25.00 H new ATOM 0 HB THR A 38 15.562 27.158 -2.081 1.00 25.00 H new ATOM 0 HG1 THR A 38 15.588 25.032 -3.242 1.00 25.00 H new ATOM 0 HG21 THR A 38 16.726 26.277 -0.094 1.00 25.00 H new ATOM 0 HG22 THR A 38 15.135 26.950 0.337 1.00 25.00 H new ATOM 0 HG23 THR A 38 15.355 25.188 0.226 1.00 25.00 H new ATOM 556 N GLY A 39 12.444 27.642 -3.030 1.00 25.00 N ATOM 557 CA GLY A 39 12.086 28.498 -4.154 1.00 25.00 C ATOM 558 C GLY A 39 11.302 27.821 -5.261 1.00 25.00 C ATOM 559 O GLY A 39 11.011 28.446 -6.276 1.00 25.00 O ATOM 0 H GLY A 39 11.917 27.828 -2.177 1.00 25.00 H new ATOM 0 HA2 GLY A 39 11.501 29.337 -3.778 1.00 25.00 H new ATOM 0 HA3 GLY A 39 13.000 28.912 -4.580 1.00 25.00 H new ATOM 563 N LEU A 40 10.975 26.553 -5.079 1.00 25.00 N ATOM 564 CA LEU A 40 10.277 25.778 -6.099 1.00 25.00 C ATOM 565 C LEU A 40 8.824 25.593 -5.708 1.00 25.00 C ATOM 566 O LEU A 40 8.518 25.252 -4.570 1.00 25.00 O ATOM 567 CB LEU A 40 10.936 24.405 -6.255 1.00 25.00 C ATOM 568 CG LEU A 40 12.359 24.391 -6.833 1.00 25.00 C ATOM 569 CD1 LEU A 40 12.938 22.988 -6.714 1.00 25.00 C ATOM 570 CD2 LEU A 40 12.382 24.840 -8.296 1.00 25.00 C ATOM 0 H LEU A 40 11.183 26.032 -4.227 1.00 25.00 H new ATOM 0 HA LEU A 40 10.332 26.317 -7.045 1.00 25.00 H new ATOM 0 HB2 LEU A 40 10.960 23.925 -5.277 1.00 25.00 H new ATOM 0 HB3 LEU A 40 10.301 23.792 -6.895 1.00 25.00 H new ATOM 0 HG LEU A 40 12.964 25.096 -6.262 1.00 25.00 H new ATOM 0 HD11 LEU A 40 13.948 22.975 -7.124 1.00 25.00 H new ATOM 0 HD12 LEU A 40 12.968 22.695 -5.665 1.00 25.00 H new ATOM 0 HD13 LEU A 40 12.313 22.288 -7.268 1.00 25.00 H new ATOM 0 HD21 LEU A 40 13.406 24.816 -8.668 1.00 25.00 H new ATOM 0 HD22 LEU A 40 11.764 24.169 -8.892 1.00 25.00 H new ATOM 0 HD23 LEU A 40 11.992 25.855 -8.371 1.00 25.00 H new ATOM 582 N VAL A 41 7.936 25.801 -6.664 1.00 25.00 N ATOM 583 CA VAL A 41 6.506 25.613 -6.454 1.00 25.00 C ATOM 584 C VAL A 41 5.993 24.671 -7.536 1.00 25.00 C ATOM 585 O VAL A 41 6.503 24.671 -8.654 1.00 25.00 O ATOM 586 CB VAL A 41 5.730 26.974 -6.490 1.00 25.00 C ATOM 587 CG1 VAL A 41 6.131 27.838 -5.283 1.00 25.00 C ATOM 588 CG2 VAL A 41 5.997 27.759 -7.794 1.00 25.00 C ATOM 0 H VAL A 41 8.182 26.104 -7.606 1.00 25.00 H new ATOM 0 HA VAL A 41 6.338 25.186 -5.465 1.00 25.00 H new ATOM 0 HB VAL A 41 4.666 26.743 -6.449 1.00 25.00 H new ATOM 0 HG11 VAL A 41 5.588 28.782 -5.315 1.00 25.00 H new ATOM 0 HG12 VAL A 41 5.888 27.310 -4.361 1.00 25.00 H new ATOM 0 HG13 VAL A 41 7.203 28.035 -5.316 1.00 25.00 H new ATOM 0 HG21 VAL A 41 5.439 28.695 -7.776 1.00 25.00 H new ATOM 0 HG22 VAL A 41 7.062 27.973 -7.878 1.00 25.00 H new ATOM 0 HG23 VAL A 41 5.678 27.163 -8.649 1.00 25.00 H new ATOM 598 N PHE A 42 5.014 23.844 -7.211 1.00 25.00 N ATOM 599 CA PHE A 42 4.449 22.924 -8.196 1.00 25.00 C ATOM 600 C PHE A 42 3.425 23.663 -9.049 1.00 25.00 C ATOM 601 O PHE A 42 2.544 24.346 -8.524 1.00 25.00 O ATOM 602 CB PHE A 42 3.772 21.735 -7.510 1.00 25.00 C ATOM 603 CG PHE A 42 2.986 20.864 -8.462 1.00 25.00 C ATOM 604 CD1 PHE A 42 3.574 20.382 -9.642 1.00 25.00 C ATOM 605 CD2 PHE A 42 1.640 20.544 -8.196 1.00 25.00 C ATOM 606 CE1 PHE A 42 2.831 19.603 -10.554 1.00 25.00 C ATOM 607 CE2 PHE A 42 0.896 19.750 -9.107 1.00 25.00 C ATOM 608 CZ PHE A 42 1.503 19.276 -10.282 1.00 25.00 C ATOM 0 H PHE A 42 4.594 23.787 -6.283 1.00 25.00 H new ATOM 0 HA PHE A 42 5.259 22.548 -8.822 1.00 25.00 H new ATOM 0 HB2 PHE A 42 4.531 21.129 -7.016 1.00 25.00 H new ATOM 0 HB3 PHE A 42 3.104 22.105 -6.732 1.00 25.00 H new ATOM 0 HD1 PHE A 42 4.608 20.610 -9.854 1.00 25.00 H new ATOM 0 HD2 PHE A 42 1.171 20.905 -7.293 1.00 25.00 H new ATOM 0 HE1 PHE A 42 3.293 19.258 -11.467 1.00 25.00 H new ATOM 0 HE2 PHE A 42 -0.136 19.510 -8.897 1.00 25.00 H new ATOM 0 HZ PHE A 42 0.944 18.661 -10.971 1.00 25.00 H new ATOM 618 N SER A 43 3.518 23.494 -10.361 1.00 25.00 N ATOM 619 CA SER A 43 2.560 24.077 -11.286 1.00 25.00 C ATOM 620 C SER A 43 1.871 22.949 -12.050 1.00 25.00 C ATOM 621 O SER A 43 2.470 22.258 -12.874 1.00 25.00 O ATOM 622 CB SER A 43 3.264 25.039 -12.235 1.00 25.00 C ATOM 623 OG SER A 43 2.345 25.587 -13.160 1.00 25.00 O ATOM 0 H SER A 43 4.256 22.952 -10.811 1.00 25.00 H new ATOM 0 HA SER A 43 1.809 24.647 -10.740 1.00 25.00 H new ATOM 0 HB2 SER A 43 3.736 25.840 -11.666 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.058 24.516 -12.769 1.00 25.00 H new ATOM 0 HG SER A 43 2.814 26.203 -13.761 1.00 25.00 H new ATOM 629 N ASN A 44 0.602 22.744 -11.739 1.00 25.00 N ATOM 630 CA ASN A 44 -0.174 21.652 -12.323 1.00 25.00 C ATOM 631 C ASN A 44 -0.351 21.791 -13.836 1.00 25.00 C ATOM 632 O ASN A 44 -0.529 20.798 -14.531 1.00 25.00 O ATOM 633 CB ASN A 44 -1.550 21.591 -11.658 1.00 25.00 C ATOM 634 CG ASN A 44 -2.368 20.407 -12.123 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.913 19.273 -12.119 1.00 25.00 O ATOM 636 ND2 ASN A 44 -3.590 20.668 -12.517 1.00 25.00 N ATOM 0 H ASN A 44 0.080 23.322 -11.080 1.00 25.00 H new ATOM 0 HA ASN A 44 0.384 20.733 -12.145 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -1.425 21.539 -10.576 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -2.094 22.511 -11.872 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -4.196 19.911 -12.834 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -3.935 21.628 -12.506 1.00 25.00 H new ATOM 643 N SER A 45 -0.311 23.018 -14.339 1.00 25.00 N ATOM 644 CA SER A 45 -0.507 23.265 -15.766 1.00 25.00 C ATOM 645 C SER A 45 0.639 22.717 -16.619 1.00 25.00 C ATOM 646 O SER A 45 0.422 22.325 -17.756 1.00 25.00 O ATOM 647 CB SER A 45 -0.647 24.764 -16.012 1.00 25.00 C ATOM 648 OG SER A 45 0.388 25.467 -15.351 1.00 25.00 O ATOM 0 H SER A 45 -0.145 23.857 -13.784 1.00 25.00 H new ATOM 0 HA SER A 45 -1.416 22.742 -16.062 1.00 25.00 H new ATOM 0 HB2 SER A 45 -0.610 24.969 -17.082 1.00 25.00 H new ATOM 0 HB3 SER A 45 -1.617 25.109 -15.654 1.00 25.00 H new ATOM 0 HG SER A 45 0.289 26.428 -15.517 1.00 25.00 H new ATOM 654 N CYS A 46 1.845 22.670 -16.063 1.00 25.00 N ATOM 655 CA CYS A 46 3.000 22.126 -16.786 1.00 25.00 C ATOM 656 C CYS A 46 3.350 20.731 -16.294 1.00 25.00 C ATOM 657 O CYS A 46 4.265 20.107 -16.823 1.00 25.00 O ATOM 658 CB CYS A 46 4.226 23.027 -16.597 1.00 25.00 C ATOM 659 SG CYS A 46 4.803 23.096 -14.874 1.00 25.00 S ATOM 0 H CYS A 46 2.053 22.999 -15.120 1.00 25.00 H new ATOM 0 HA CYS A 46 2.728 22.080 -17.840 1.00 25.00 H new ATOM 0 HB2 CYS A 46 5.036 22.666 -17.231 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.984 24.035 -16.933 1.00 25.00 H new ATOM 664 N LYS A 47 2.656 20.279 -15.248 1.00 25.00 N ATOM 665 CA LYS A 47 2.947 18.996 -14.582 1.00 25.00 C ATOM 666 C LYS A 47 4.413 18.983 -14.167 1.00 25.00 C ATOM 667 O LYS A 47 5.107 17.980 -14.309 1.00 25.00 O ATOM 668 CB LYS A 47 2.620 17.800 -15.501 1.00 25.00 C ATOM 669 CG LYS A 47 1.151 17.714 -15.915 1.00 25.00 C ATOM 670 CD LYS A 47 0.271 17.387 -14.721 1.00 25.00 C ATOM 671 CE LYS A 47 -1.175 17.285 -15.109 1.00 25.00 C ATOM 672 NZ LYS A 47 -1.970 16.992 -13.883 1.00 25.00 N ATOM 0 H LYS A 47 1.875 20.788 -14.834 1.00 25.00 H new ATOM 0 HA LYS A 47 2.316 18.897 -13.698 1.00 25.00 H new ATOM 0 HB2 LYS A 47 3.236 17.866 -16.398 1.00 25.00 H new ATOM 0 HB3 LYS A 47 2.897 16.877 -14.991 1.00 25.00 H new ATOM 0 HG2 LYS A 47 0.837 18.660 -16.355 1.00 25.00 H new ATOM 0 HG3 LYS A 47 1.029 16.949 -16.682 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.596 16.446 -14.276 1.00 25.00 H new ATOM 0 HD3 LYS A 47 0.390 18.158 -13.959 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -1.512 18.215 -15.566 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -1.315 16.497 -15.849 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -2.961 16.817 -14.145 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -1.583 16.150 -13.411 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -1.922 17.804 -13.236 1.00 25.00 H new ATOM 686 N CYS A 48 4.885 20.130 -13.696 1.00 25.00 N ATOM 687 CA CYS A 48 6.295 20.327 -13.402 1.00 25.00 C ATOM 688 C CYS A 48 6.461 21.268 -12.216 1.00 25.00 C ATOM 689 O CYS A 48 5.505 21.913 -11.787 1.00 25.00 O ATOM 690 CB CYS A 48 6.994 20.906 -14.649 1.00 25.00 C ATOM 691 SG CYS A 48 6.799 22.706 -14.940 1.00 25.00 S ATOM 0 H CYS A 48 4.302 20.946 -13.508 1.00 25.00 H new ATOM 0 HA CYS A 48 6.750 19.371 -13.143 1.00 25.00 H new ATOM 0 HB2 CYS A 48 8.059 20.687 -14.575 1.00 25.00 H new ATOM 0 HB3 CYS A 48 6.620 20.377 -15.525 1.00 25.00 H new ATOM 696 N CYS A 49 7.673 21.361 -11.690 1.00 25.00 N ATOM 697 CA CYS A 49 7.970 22.296 -10.613 1.00 25.00 C ATOM 698 C CYS A 49 8.649 23.489 -11.262 1.00 25.00 C ATOM 699 O CYS A 49 9.480 23.314 -12.147 1.00 25.00 O ATOM 700 CB CYS A 49 8.896 21.665 -9.572 1.00 25.00 C ATOM 701 SG CYS A 49 8.150 21.546 -7.915 1.00 25.00 S ATOM 0 H CYS A 49 8.469 20.799 -11.992 1.00 25.00 H new ATOM 0 HA CYS A 49 7.058 22.585 -10.091 1.00 25.00 H new ATOM 0 HB2 CYS A 49 9.180 20.667 -9.907 1.00 25.00 H new ATOM 0 HB3 CYS A 49 9.812 22.252 -9.508 1.00 25.00 H new ATOM 706 N THR A 50 8.290 24.689 -10.843 1.00 25.00 N ATOM 707 CA THR A 50 8.845 25.908 -11.420 1.00 25.00 C ATOM 708 C THR A 50 9.458 26.768 -10.335 1.00 25.00 C ATOM 709 O THR A 50 8.995 26.768 -9.197 1.00 25.00 O ATOM 710 CB THR A 50 7.744 26.743 -12.116 1.00 25.00 C ATOM 711 OG1 THR A 50 6.685 26.996 -11.190 1.00 25.00 O ATOM 712 CG2 THR A 50 7.158 25.997 -13.298 1.00 25.00 C ATOM 0 H THR A 50 7.611 24.850 -10.099 1.00 25.00 H new ATOM 0 HA THR A 50 9.600 25.609 -12.147 1.00 25.00 H new ATOM 0 HB THR A 50 8.196 27.673 -12.462 1.00 25.00 H new ATOM 0 HG1 THR A 50 5.987 27.526 -11.628 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.387 26.608 -13.768 1.00 25.00 H new ATOM 0 HG22 THR A 50 7.945 25.786 -14.022 1.00 25.00 H new ATOM 0 HG23 THR A 50 6.720 25.060 -12.956 1.00 25.00 H new ATOM 720 N TRP A 51 10.481 27.530 -10.689 1.00 25.00 N ATOM 721 CA TRP A 51 11.082 28.474 -9.768 1.00 25.00 C ATOM 722 C TRP A 51 10.121 29.640 -9.603 1.00 25.00 C ATOM 723 O TRP A 51 9.594 30.155 -10.584 1.00 25.00 O ATOM 724 CB TRP A 51 12.407 28.982 -10.336 1.00 25.00 C ATOM 725 CG TRP A 51 13.096 29.935 -9.424 1.00 25.00 C ATOM 726 CD1 TRP A 51 13.276 29.800 -8.094 1.00 25.00 C ATOM 727 CD2 TRP A 51 13.694 31.201 -9.769 1.00 25.00 C ATOM 728 NE1 TRP A 51 13.928 30.876 -7.561 1.00 25.00 N ATOM 729 CE2 TRP A 51 14.201 31.767 -8.561 1.00 25.00 C ATOM 730 CE3 TRP A 51 13.846 31.918 -10.974 1.00 25.00 C ATOM 731 CZ2 TRP A 51 14.849 33.019 -8.529 1.00 25.00 C ATOM 732 CZ3 TRP A 51 14.497 33.179 -10.946 1.00 25.00 C ATOM 733 CH2 TRP A 51 14.990 33.716 -9.717 1.00 25.00 C ATOM 0 H TRP A 51 10.912 27.511 -11.613 1.00 25.00 H new ATOM 0 HA TRP A 51 11.274 27.995 -8.808 1.00 25.00 H new ATOM 0 HB2 TRP A 51 13.063 28.134 -10.531 1.00 25.00 H new ATOM 0 HB3 TRP A 51 12.224 29.470 -11.293 1.00 25.00 H new ATOM 0 HD1 TRP A 51 12.945 28.946 -7.521 1.00 25.00 H new ATOM 0 HE1 TRP A 51 14.171 30.995 -6.578 1.00 25.00 H new ATOM 0 HE3 TRP A 51 13.473 31.514 -11.903 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 15.226 33.424 -7.601 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 14.621 33.738 -11.862 1.00 25.00 H new ATOM 0 HH2 TRP A 51 15.479 34.679 -9.715 1.00 25.00 H new ATOM 744 N ASN A 52 9.910 30.073 -8.372 1.00 25.00 N ATOM 745 CA ASN A 52 9.048 31.221 -8.099 1.00 25.00 C ATOM 746 C ASN A 52 9.836 32.530 -8.244 1.00 25.00 C ATOM 747 O ASN A 52 10.108 33.221 -7.263 1.00 25.00 O ATOM 748 CB ASN A 52 8.441 31.117 -6.699 1.00 25.00 C ATOM 749 CG ASN A 52 7.393 32.172 -6.454 1.00 25.00 C ATOM 750 OD1 ASN A 52 6.781 32.679 -7.380 1.00 25.00 O ATOM 751 ND2 ASN A 52 7.169 32.498 -5.210 1.00 25.00 N ATOM 0 H ASN A 52 10.323 29.649 -7.541 1.00 25.00 H new ATOM 0 HA ASN A 52 8.237 31.222 -8.827 1.00 25.00 H new ATOM 0 HB2 ASN A 52 7.998 30.130 -6.569 1.00 25.00 H new ATOM 0 HB3 ASN A 52 9.231 31.212 -5.954 1.00 25.00 H new ATOM 0 HD21 ASN A 52 6.462 33.198 -4.986 1.00 25.00 H new ATOM 0 HD22 ASN A 52 7.701 32.052 -4.462 1.00 25.00 H new ATOM 758 N GLY A 53 10.231 32.833 -9.473 1.00 25.00 N ATOM 759 CA GLY A 53 11.014 34.025 -9.768 1.00 25.00 C ATOM 760 C GLY A 53 10.476 34.739 -10.992 1.00 25.00 C ATOM 761 O GLY A 53 11.181 34.927 -11.974 1.00 25.00 O ATOM 0 H GLY A 53 10.019 32.262 -10.291 1.00 25.00 H new ATOM 0 HA2 GLY A 53 10.994 34.699 -8.911 1.00 25.00 H new ATOM 0 HA3 GLY A 53 12.056 33.749 -9.932 1.00 25.00 H new ATOM 765 N LEU A 54 9.199 35.086 -10.950 1.00 25.00 N ATOM 766 CA LEU A 54 8.536 35.747 -12.077 1.00 25.00 C ATOM 767 C LEU A 54 9.174 37.105 -12.382 1.00 25.00 C ATOM 768 O LEU A 54 9.338 37.941 -11.491 1.00 25.00 O ATOM 769 CB LEU A 54 7.048 35.928 -11.762 1.00 25.00 C ATOM 770 CG LEU A 54 6.195 36.405 -12.948 1.00 25.00 C ATOM 771 CD1 LEU A 54 4.873 35.658 -12.942 1.00 25.00 C ATOM 772 CD2 LEU A 54 5.949 37.913 -12.902 1.00 25.00 C ATOM 0 H LEU A 54 8.593 34.922 -10.146 1.00 25.00 H new ATOM 0 HA LEU A 54 8.652 35.117 -12.959 1.00 25.00 H new ATOM 0 HB2 LEU A 54 6.648 34.980 -11.403 1.00 25.00 H new ATOM 0 HB3 LEU A 54 6.947 36.645 -10.948 1.00 25.00 H new ATOM 0 HG LEU A 54 6.739 36.195 -13.869 1.00 25.00 H new ATOM 0 HD11 LEU A 54 4.263 35.992 -13.781 1.00 25.00 H new ATOM 0 HD12 LEU A 54 5.059 34.588 -13.032 1.00 25.00 H new ATOM 0 HD13 LEU A 54 4.347 35.857 -12.009 1.00 25.00 H new ATOM 0 HD21 LEU A 54 5.342 38.209 -13.758 1.00 25.00 H new ATOM 0 HD22 LEU A 54 5.426 38.168 -11.981 1.00 25.00 H new ATOM 0 HD23 LEU A 54 6.903 38.439 -12.935 1.00 25.00 H new ATOM 784 N VAL A 55 9.477 37.344 -13.653 1.00 25.00 N ATOM 785 CA VAL A 55 10.012 38.633 -14.099 1.00 25.00 C ATOM 786 C VAL A 55 9.026 39.170 -15.151 1.00 25.00 C ATOM 787 O VAL A 55 8.662 38.442 -16.068 1.00 25.00 O ATOM 788 CB VAL A 55 11.445 38.484 -14.703 1.00 25.00 C ATOM 789 CG1 VAL A 55 12.045 39.853 -15.053 1.00 25.00 C ATOM 790 CG2 VAL A 55 12.373 37.779 -13.703 1.00 25.00 C ATOM 0 H VAL A 55 9.362 36.659 -14.400 1.00 25.00 H new ATOM 0 HA VAL A 55 10.109 39.320 -13.258 1.00 25.00 H new ATOM 0 HB VAL A 55 11.358 37.891 -15.613 1.00 25.00 H new ATOM 0 HG11 VAL A 55 13.042 39.717 -15.471 1.00 25.00 H new ATOM 0 HG12 VAL A 55 11.410 40.352 -15.785 1.00 25.00 H new ATOM 0 HG13 VAL A 55 12.109 40.463 -14.152 1.00 25.00 H new ATOM 0 HG21 VAL A 55 13.368 37.682 -14.137 1.00 25.00 H new ATOM 0 HG22 VAL A 55 12.432 38.365 -12.786 1.00 25.00 H new ATOM 0 HG23 VAL A 55 11.978 36.789 -13.476 1.00 25.00 H new ATOM 800 N PRO A 56 8.523 40.411 -14.986 1.00 25.00 N ATOM 801 CA PRO A 56 7.494 40.936 -15.896 1.00 25.00 C ATOM 802 C PRO A 56 8.037 41.648 -17.144 1.00 25.00 C ATOM 803 O PRO A 56 7.296 42.361 -17.824 1.00 25.00 O ATOM 804 CB PRO A 56 6.767 41.941 -15.004 1.00 25.00 C ATOM 805 CG PRO A 56 7.864 42.535 -14.206 1.00 25.00 C ATOM 806 CD PRO A 56 8.816 41.388 -13.914 1.00 25.00 C ATOM 0 HA PRO A 56 6.886 40.131 -16.307 1.00 25.00 H new ATOM 0 HB2 PRO A 56 6.241 42.694 -15.591 1.00 25.00 H new ATOM 0 HB3 PRO A 56 6.025 41.455 -14.371 1.00 25.00 H new ATOM 0 HG2 PRO A 56 8.365 43.331 -14.757 1.00 25.00 H new ATOM 0 HG3 PRO A 56 7.485 42.976 -13.284 1.00 25.00 H new ATOM 0 HD2 PRO A 56 9.856 41.713 -13.941 1.00 25.00 H new ATOM 0 HD3 PRO A 56 8.641 40.963 -12.926 1.00 25.00 H new ATOM 814 N ARG A 57 9.332 41.513 -17.406 1.00 25.00 N ATOM 815 CA ARG A 57 9.983 42.188 -18.530 1.00 25.00 C ATOM 816 C ARG A 57 11.095 41.289 -19.045 1.00 25.00 C ATOM 817 O ARG A 57 11.659 41.576 -20.115 1.00 25.00 O ATOM 818 CB ARG A 57 10.545 43.555 -18.089 1.00 25.00 C ATOM 819 CG ARG A 57 11.703 43.479 -17.078 1.00 25.00 C ATOM 820 CD ARG A 57 13.057 43.527 -17.776 1.00 25.00 C ATOM 821 NE ARG A 57 14.155 43.105 -16.891 1.00 25.00 N ATOM 822 CZ ARG A 57 15.149 42.293 -17.242 1.00 25.00 C ATOM 823 NH1 ARG A 57 15.234 41.757 -18.434 1.00 25.00 N ATOM 824 NH2 ARG A 57 16.078 42.020 -16.370 1.00 25.00 N ATOM 825 OXT ARG A 57 11.477 40.391 -18.272 1.00 25.00 O ATOM 0 H ARG A 57 9.961 40.935 -16.849 1.00 25.00 H new ATOM 0 HA ARG A 57 9.260 42.373 -19.324 1.00 25.00 H new ATOM 0 HB2 ARG A 57 10.887 44.094 -18.973 1.00 25.00 H new ATOM 0 HB3 ARG A 57 9.737 44.141 -17.651 1.00 25.00 H new ATOM 0 HG2 ARG A 57 11.627 44.306 -16.373 1.00 25.00 H new ATOM 0 HG3 ARG A 57 11.623 42.559 -16.500 1.00 25.00 H new ATOM 0 HD2 ARG A 57 13.033 42.883 -18.655 1.00 25.00 H new ATOM 0 HD3 ARG A 57 13.246 44.541 -18.129 1.00 25.00 H new ATOM 0 HE ARG A 57 14.154 43.462 -15.936 1.00 25.00 H new ATOM 0 HH11 ARG A 57 14.521 41.957 -19.135 1.00 25.00 H new ATOM 0 HH12 ARG A 57 16.013 41.140 -18.661 1.00 25.00 H new ATOM 0 HH21 ARG A 57 16.036 42.427 -15.436 1.00 25.00 H new ATOM 0 HH22 ARG A 57 16.847 41.399 -16.622 1.00 25.00 H new TER 839 ARG A 57