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 43 SER OG : rot -82:sc= 0.142 USER MOD Set 1.2: A 45 SER OG : rot 180:sc= 0.139 USER MOD Set 2.1: A 25 SER OG : rot 169:sc= 0.265 USER MOD Set 2.2: A 34 GLN : amide:sc= 0.254 K(o=0.52,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot -142:sc= 0.979 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 7 GLN : amide:sc= 0.332 X(o=0.33,f=-0.0075) USER MOD Single : A 9 LYS NZ :NH3+ -135:sc= 0.26 (180deg=0) USER MOD Single : A 14 TYR OH : rot -8:sc= 1.28 USER MOD Single : A 16 ASN : amide:sc= 0.389 K(o=0.39,f=-3.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.252 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 44 ASN : amide:sc= -0.0405 K(o=-0.041,f=-0.67) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0.708 (180deg=0.644) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.079 -5.984 -9.913 1.00 25.00 N ATOM 2 CA GLY A 1 4.039 -5.016 -10.349 1.00 25.00 C ATOM 3 C GLY A 1 4.481 -3.590 -10.132 1.00 25.00 C ATOM 4 O GLY A 1 5.668 -3.354 -9.948 1.00 25.00 O ATOM 0 H1 GLY A 1 5.260 -6.666 -10.677 1.00 25.00 H new ATOM 0 H2 GLY A 1 5.957 -5.473 -9.689 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.748 -6.491 -9.067 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.816 -5.172 -11.405 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.117 -5.199 -9.798 1.00 25.00 H new ATOM 10 N SER A 2 3.545 -2.650 -10.137 1.00 25.00 N ATOM 11 CA SER A 2 3.835 -1.237 -9.873 1.00 25.00 C ATOM 12 C SER A 2 2.538 -0.687 -9.286 1.00 25.00 C ATOM 13 O SER A 2 1.484 -1.283 -9.519 1.00 25.00 O ATOM 14 CB SER A 2 4.190 -0.500 -11.170 1.00 25.00 C ATOM 15 OG SER A 2 4.994 0.630 -10.888 1.00 25.00 O ATOM 0 H SER A 2 2.561 -2.841 -10.324 1.00 25.00 H new ATOM 0 HA SER A 2 4.686 -1.109 -9.204 1.00 25.00 H new ATOM 0 HB2 SER A 2 4.719 -1.172 -11.845 1.00 25.00 H new ATOM 0 HB3 SER A 2 3.279 -0.188 -11.680 1.00 25.00 H new ATOM 0 HG SER A 2 4.742 1.367 -11.482 1.00 25.00 H new ATOM 21 N PRO A 3 2.584 0.411 -8.503 1.00 25.00 N ATOM 22 CA PRO A 3 1.302 0.883 -7.955 1.00 25.00 C ATOM 23 C PRO A 3 0.292 1.277 -9.030 1.00 25.00 C ATOM 24 O PRO A 3 0.653 1.870 -10.044 1.00 25.00 O ATOM 25 CB PRO A 3 1.709 2.121 -7.141 1.00 25.00 C ATOM 26 CG PRO A 3 3.142 1.906 -6.821 1.00 25.00 C ATOM 27 CD PRO A 3 3.701 1.262 -8.051 1.00 25.00 C ATOM 0 HA PRO A 3 0.804 0.102 -7.381 1.00 25.00 H new ATOM 0 HB2 PRO A 3 1.564 3.037 -7.714 1.00 25.00 H new ATOM 0 HB3 PRO A 3 1.110 2.214 -6.235 1.00 25.00 H new ATOM 0 HG2 PRO A 3 3.646 2.847 -6.600 1.00 25.00 H new ATOM 0 HG3 PRO A 3 3.263 1.266 -5.947 1.00 25.00 H new ATOM 0 HD2 PRO A 3 3.980 1.999 -8.804 1.00 25.00 H new ATOM 0 HD3 PRO A 3 4.594 0.677 -7.832 1.00 25.00 H new ATOM 35 N THR A 4 -0.982 1.000 -8.781 1.00 25.00 N ATOM 36 CA THR A 4 -2.055 1.372 -9.710 1.00 25.00 C ATOM 37 C THR A 4 -2.191 2.889 -9.761 1.00 25.00 C ATOM 38 O THR A 4 -2.681 3.463 -10.731 1.00 25.00 O ATOM 39 CB THR A 4 -3.391 0.772 -9.254 1.00 25.00 C ATOM 40 OG1 THR A 4 -3.555 1.027 -7.856 1.00 25.00 O ATOM 41 CG2 THR A 4 -3.408 -0.735 -9.461 1.00 25.00 C ATOM 0 H THR A 4 -1.303 0.517 -7.942 1.00 25.00 H new ATOM 0 HA THR A 4 -1.803 0.986 -10.698 1.00 25.00 H new ATOM 0 HB THR A 4 -4.192 1.225 -9.839 1.00 25.00 H new ATOM 0 HG1 THR A 4 -4.407 0.650 -7.552 1.00 25.00 H new ATOM 0 HG21 THR A 4 -4.366 -1.137 -9.130 1.00 25.00 H new ATOM 0 HG22 THR A 4 -3.266 -0.959 -10.518 1.00 25.00 H new ATOM 0 HG23 THR A 4 -2.604 -1.191 -8.883 1.00 25.00 H new ATOM 49 N PHE A 5 -1.675 3.534 -8.726 1.00 25.00 N ATOM 50 CA PHE A 5 -1.640 4.985 -8.628 1.00 25.00 C ATOM 51 C PHE A 5 -0.918 5.620 -9.817 1.00 25.00 C ATOM 52 O PHE A 5 -1.326 6.663 -10.300 1.00 25.00 O ATOM 53 CB PHE A 5 -0.923 5.355 -7.332 1.00 25.00 C ATOM 54 CG PHE A 5 -0.972 6.817 -7.003 1.00 25.00 C ATOM 55 CD1 PHE A 5 0.104 7.663 -7.334 1.00 25.00 C ATOM 56 CD2 PHE A 5 -2.082 7.357 -6.330 1.00 25.00 C ATOM 57 CE1 PHE A 5 0.085 9.038 -6.967 1.00 25.00 C ATOM 58 CE2 PHE A 5 -2.118 8.725 -5.982 1.00 25.00 C ATOM 59 CZ PHE A 5 -1.030 9.559 -6.299 1.00 25.00 C ATOM 0 H PHE A 5 -1.264 3.060 -7.922 1.00 25.00 H new ATOM 0 HA PHE A 5 -2.662 5.363 -8.632 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -1.367 4.793 -6.510 1.00 25.00 H new ATOM 0 HB3 PHE A 5 0.119 5.044 -7.404 1.00 25.00 H new ATOM 0 HD1 PHE A 5 0.952 7.265 -7.872 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -2.916 6.719 -6.077 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.925 9.675 -7.202 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -2.980 9.131 -5.473 1.00 25.00 H new ATOM 0 HZ PHE A 5 -1.055 10.604 -6.026 1.00 25.00 H new ATOM 69 N CYS A 6 0.135 4.969 -10.299 1.00 25.00 N ATOM 70 CA CYS A 6 0.931 5.503 -11.407 1.00 25.00 C ATOM 71 C CYS A 6 0.715 4.739 -12.717 1.00 25.00 C ATOM 72 O CYS A 6 1.302 5.064 -13.744 1.00 25.00 O ATOM 73 CB CYS A 6 2.409 5.458 -11.035 1.00 25.00 C ATOM 74 SG CYS A 6 3.123 7.114 -10.827 1.00 25.00 S ATOM 0 H CYS A 6 0.460 4.070 -9.942 1.00 25.00 H new ATOM 0 HA CYS A 6 0.603 6.529 -11.574 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.531 4.894 -10.110 1.00 25.00 H new ATOM 0 HB3 CYS A 6 2.959 4.923 -11.809 1.00 25.00 H new ATOM 79 N GLN A 7 -0.118 3.712 -12.690 1.00 25.00 N ATOM 80 CA GLN A 7 -0.394 2.940 -13.877 1.00 25.00 C ATOM 81 C GLN A 7 -1.306 3.741 -14.798 1.00 25.00 C ATOM 82 O GLN A 7 -2.340 4.250 -14.365 1.00 25.00 O ATOM 83 CB GLN A 7 -1.062 1.655 -13.475 1.00 25.00 C ATOM 84 CG GLN A 7 -0.097 0.502 -13.226 1.00 25.00 C ATOM 85 CD GLN A 7 -0.820 -0.775 -12.859 1.00 25.00 C ATOM 86 OE1 GLN A 7 -1.677 -1.236 -13.581 1.00 25.00 O ATOM 87 NE2 GLN A 7 -0.485 -1.342 -11.732 1.00 25.00 N ATOM 0 H GLN A 7 -0.613 3.398 -11.855 1.00 25.00 H new ATOM 0 HA GLN A 7 0.533 2.716 -14.406 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -1.644 1.829 -12.570 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -1.765 1.364 -14.256 1.00 25.00 H new ATOM 0 HG2 GLN A 7 0.505 0.334 -14.119 1.00 25.00 H new ATOM 0 HG3 GLN A 7 0.591 0.772 -12.425 1.00 25.00 H new ATOM 0 HE21 GLN A 7 0.241 -0.927 -11.148 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -0.949 -2.200 -11.435 1.00 25.00 H new ATOM 96 N GLY A 8 -0.910 3.864 -16.058 1.00 25.00 N ATOM 97 CA GLY A 8 -1.702 4.613 -17.022 1.00 25.00 C ATOM 98 C GLY A 8 -1.564 6.114 -16.859 1.00 25.00 C ATOM 99 O GLY A 8 -2.444 6.865 -17.269 1.00 25.00 O ATOM 0 H GLY A 8 -0.053 3.458 -16.433 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -1.398 4.333 -18.031 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -2.751 4.336 -16.917 1.00 25.00 H new ATOM 103 N LYS A 9 -0.476 6.560 -16.241 1.00 25.00 N ATOM 104 CA LYS A 9 -0.236 7.989 -16.036 1.00 25.00 C ATOM 105 C LYS A 9 0.957 8.404 -16.851 1.00 25.00 C ATOM 106 O LYS A 9 1.875 7.622 -17.071 1.00 25.00 O ATOM 107 CB LYS A 9 -0.007 8.320 -14.573 1.00 25.00 C ATOM 108 CG LYS A 9 -1.303 8.628 -13.868 1.00 25.00 C ATOM 109 CD LYS A 9 -2.037 7.354 -13.553 1.00 25.00 C ATOM 110 CE LYS A 9 -3.231 7.543 -12.657 1.00 25.00 C ATOM 111 NZ LYS A 9 -3.757 6.178 -12.307 1.00 25.00 N ATOM 0 H LYS A 9 0.256 5.954 -15.872 1.00 25.00 H new ATOM 0 HA LYS A 9 -1.122 8.537 -16.356 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.485 7.481 -14.082 1.00 25.00 H new ATOM 0 HB3 LYS A 9 0.664 9.175 -14.493 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -1.104 9.178 -12.949 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -1.923 9.269 -14.495 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -2.364 6.895 -14.486 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -1.347 6.656 -13.079 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -2.951 8.088 -11.756 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -3.998 8.132 -13.160 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -4.793 6.171 -12.400 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -3.347 5.472 -12.951 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -3.496 5.946 -11.327 1.00 25.00 H new ATOM 125 N ALA A 10 0.918 9.642 -17.299 1.00 25.00 N ATOM 126 CA ALA A 10 2.012 10.222 -18.060 1.00 25.00 C ATOM 127 C ALA A 10 3.114 10.575 -17.066 1.00 25.00 C ATOM 128 O ALA A 10 2.840 10.767 -15.879 1.00 25.00 O ATOM 129 CB ALA A 10 1.533 11.480 -18.803 1.00 25.00 C ATOM 0 H ALA A 10 0.132 10.274 -17.148 1.00 25.00 H new ATOM 0 HA ALA A 10 2.381 9.520 -18.807 1.00 25.00 H new ATOM 0 HB1 ALA A 10 2.361 11.906 -19.369 1.00 25.00 H new ATOM 0 HB2 ALA A 10 0.725 11.214 -19.485 1.00 25.00 H new ATOM 0 HB3 ALA A 10 1.172 12.213 -18.082 1.00 25.00 H new ATOM 135 N ASP A 11 4.337 10.684 -17.548 1.00 25.00 N ATOM 136 CA ASP A 11 5.451 11.092 -16.705 1.00 25.00 C ATOM 137 C ASP A 11 5.250 12.551 -16.291 1.00 25.00 C ATOM 138 O ASP A 11 4.756 13.361 -17.080 1.00 25.00 O ATOM 139 CB ASP A 11 6.762 10.942 -17.475 1.00 25.00 C ATOM 140 CG ASP A 11 6.991 9.521 -17.948 1.00 25.00 C ATOM 141 OD1 ASP A 11 6.610 9.210 -19.096 1.00 25.00 O ATOM 142 OD2 ASP A 11 7.502 8.694 -17.160 1.00 25.00 O ATOM 0 H ASP A 11 4.587 10.496 -18.519 1.00 25.00 H new ATOM 0 HA ASP A 11 5.493 10.463 -15.816 1.00 25.00 H new ATOM 0 HB2 ASP A 11 6.755 11.612 -18.335 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.592 11.249 -16.839 1.00 25.00 H new ATOM 147 N GLY A 12 5.615 12.885 -15.060 1.00 25.00 N ATOM 148 CA GLY A 12 5.462 14.249 -14.571 1.00 25.00 C ATOM 149 C GLY A 12 5.007 14.316 -13.127 1.00 25.00 C ATOM 150 O GLY A 12 4.906 13.294 -12.451 1.00 25.00 O ATOM 0 H GLY A 12 6.017 12.234 -14.385 1.00 25.00 H new ATOM 0 HA2 GLY A 12 6.413 14.773 -14.671 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.741 14.774 -15.197 1.00 25.00 H new ATOM 154 N LEU A 13 4.733 15.521 -12.652 1.00 25.00 N ATOM 155 CA LEU A 13 4.285 15.743 -11.277 1.00 25.00 C ATOM 156 C LEU A 13 2.765 15.844 -11.225 1.00 25.00 C ATOM 157 O LEU A 13 2.134 16.315 -12.170 1.00 25.00 O ATOM 158 CB LEU A 13 4.876 17.040 -10.727 1.00 25.00 C ATOM 159 CG LEU A 13 6.394 17.147 -10.571 1.00 25.00 C ATOM 160 CD1 LEU A 13 6.740 18.478 -9.928 1.00 25.00 C ATOM 161 CD2 LEU A 13 6.979 16.028 -9.727 1.00 25.00 C ATOM 0 H LEU A 13 4.813 16.375 -13.204 1.00 25.00 H new ATOM 0 HA LEU A 13 4.621 14.899 -10.674 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.552 17.853 -11.377 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.430 17.218 -9.749 1.00 25.00 H new ATOM 0 HG LEU A 13 6.825 17.067 -11.569 1.00 25.00 H new ATOM 0 HD11 LEU A 13 7.821 18.557 -9.815 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.380 19.291 -10.558 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.267 18.542 -8.948 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.059 16.156 -9.651 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.539 16.056 -8.730 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.759 15.068 -10.193 1.00 25.00 H new ATOM 173 N TYR A 14 2.191 15.413 -10.110 1.00 25.00 N ATOM 174 CA TYR A 14 0.740 15.379 -9.927 1.00 25.00 C ATOM 175 C TYR A 14 0.329 16.017 -8.592 1.00 25.00 C ATOM 176 O TYR A 14 1.084 15.959 -7.611 1.00 25.00 O ATOM 177 CB TYR A 14 0.259 13.922 -9.996 1.00 25.00 C ATOM 178 CG TYR A 14 0.294 13.374 -11.392 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.431 12.719 -11.857 1.00 25.00 C ATOM 180 CD2 TYR A 14 -0.806 13.525 -12.263 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.500 12.221 -13.184 1.00 25.00 C ATOM 182 CE2 TYR A 14 -0.752 13.022 -13.591 1.00 25.00 C ATOM 183 CZ TYR A 14 0.405 12.380 -14.037 1.00 25.00 C ATOM 184 OH TYR A 14 0.465 11.905 -15.318 1.00 25.00 O ATOM 0 H TYR A 14 2.716 15.076 -9.303 1.00 25.00 H new ATOM 0 HA TYR A 14 0.272 15.959 -10.723 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.884 13.305 -9.351 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.758 13.859 -9.609 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.275 12.588 -11.196 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.697 14.028 -11.917 1.00 25.00 H new ATOM 0 HE1 TYR A 14 2.393 11.723 -13.532 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -1.600 13.135 -14.250 1.00 25.00 H new ATOM 0 HH TYR A 14 1.377 11.603 -15.512 1.00 25.00 H new ATOM 194 N PRO A 15 -0.865 16.648 -8.541 1.00 25.00 N ATOM 195 CA PRO A 15 -1.280 17.310 -7.296 1.00 25.00 C ATOM 196 C PRO A 15 -1.617 16.340 -6.171 1.00 25.00 C ATOM 197 O PRO A 15 -2.081 15.224 -6.399 1.00 25.00 O ATOM 198 CB PRO A 15 -2.514 18.108 -7.728 1.00 25.00 C ATOM 199 CG PRO A 15 -3.082 17.320 -8.840 1.00 25.00 C ATOM 200 CD PRO A 15 -1.880 16.825 -9.599 1.00 25.00 C ATOM 0 HA PRO A 15 -0.479 17.919 -6.876 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -3.227 18.214 -6.910 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -2.245 19.114 -8.049 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.688 16.492 -8.472 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -3.727 17.931 -9.471 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -2.088 15.890 -10.118 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.556 17.543 -10.353 1.00 25.00 H new ATOM 208 N ASN A 16 -1.340 16.778 -4.955 1.00 25.00 N ATOM 209 CA ASN A 16 -1.440 15.964 -3.756 1.00 25.00 C ATOM 210 C ASN A 16 -2.411 16.588 -2.737 1.00 25.00 C ATOM 211 O ASN A 16 -2.607 17.796 -2.728 1.00 25.00 O ATOM 212 CB ASN A 16 -0.048 15.848 -3.142 1.00 25.00 C ATOM 213 CG ASN A 16 0.470 17.173 -2.673 1.00 25.00 C ATOM 214 OD1 ASN A 16 0.569 18.124 -3.438 1.00 25.00 O ATOM 215 ND2 ASN A 16 0.769 17.257 -1.429 1.00 25.00 N ATOM 0 H ASN A 16 -1.032 17.733 -4.770 1.00 25.00 H new ATOM 0 HA ASN A 16 -1.828 14.980 -4.020 1.00 25.00 H new ATOM 0 HB2 ASN A 16 -0.079 15.153 -2.303 1.00 25.00 H new ATOM 0 HB3 ASN A 16 0.639 15.430 -3.878 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.103 18.140 -1.043 1.00 25.00 H new ATOM 0 HD22 ASN A 16 0.672 16.441 -0.825 1.00 25.00 H new ATOM 222 N PRO A 17 -3.071 15.758 -1.903 1.00 25.00 N ATOM 223 CA PRO A 17 -4.099 16.283 -0.990 1.00 25.00 C ATOM 224 C PRO A 17 -3.636 16.825 0.372 1.00 25.00 C ATOM 225 O PRO A 17 -4.413 17.471 1.064 1.00 25.00 O ATOM 226 CB PRO A 17 -4.954 15.045 -0.737 1.00 25.00 C ATOM 227 CG PRO A 17 -3.948 13.950 -0.701 1.00 25.00 C ATOM 228 CD PRO A 17 -2.987 14.286 -1.810 1.00 25.00 C ATOM 0 HA PRO A 17 -4.568 17.153 -1.450 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -5.505 15.119 0.201 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -5.689 14.893 -1.527 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -3.442 13.907 0.264 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -4.414 12.977 -0.860 1.00 25.00 H new ATOM 0 HD2 PRO A 17 -1.975 13.955 -1.578 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -3.272 13.807 -2.747 1.00 25.00 H new ATOM 236 N ARG A 18 -2.436 16.455 0.811 1.00 25.00 N ATOM 237 CA ARG A 18 -2.010 16.725 2.200 1.00 25.00 C ATOM 238 C ARG A 18 -0.807 17.648 2.375 1.00 25.00 C ATOM 239 O ARG A 18 -0.861 18.623 3.115 1.00 25.00 O ATOM 240 CB ARG A 18 -1.702 15.385 2.878 1.00 25.00 C ATOM 241 CG ARG A 18 -1.284 15.512 4.340 1.00 25.00 C ATOM 242 CD ARG A 18 -1.049 14.154 4.971 1.00 25.00 C ATOM 243 NE ARG A 18 0.103 13.447 4.387 1.00 25.00 N ATOM 244 CZ ARG A 18 0.687 12.368 4.891 1.00 25.00 C ATOM 245 NH1 ARG A 18 0.294 11.810 6.011 1.00 25.00 N ATOM 246 NH2 ARG A 18 1.688 11.847 4.249 1.00 25.00 N ATOM 0 H ARG A 18 -1.742 15.973 0.240 1.00 25.00 H new ATOM 0 HA ARG A 18 -2.842 17.262 2.655 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -2.584 14.747 2.817 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -0.907 14.884 2.326 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -0.374 16.109 4.409 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -2.057 16.044 4.895 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -0.889 14.279 6.042 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -1.944 13.543 4.852 1.00 25.00 H new ATOM 0 HE ARG A 18 0.486 13.820 3.518 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -0.490 12.206 6.530 1.00 25.00 H new ATOM 0 HH12 ARG A 18 0.772 10.980 6.363 1.00 25.00 H new ATOM 0 HH21 ARG A 18 2.009 12.268 3.377 1.00 25.00 H new ATOM 0 HH22 ARG A 18 2.153 11.017 4.617 1.00 25.00 H new ATOM 260 N GLU A 19 0.310 17.260 1.796 1.00 25.00 N ATOM 261 CA GLU A 19 1.571 17.972 1.984 1.00 25.00 C ATOM 262 C GLU A 19 1.547 19.354 1.332 1.00 25.00 C ATOM 263 O GLU A 19 0.881 19.570 0.334 1.00 25.00 O ATOM 264 CB GLU A 19 2.732 17.175 1.402 1.00 25.00 C ATOM 265 CG GLU A 19 2.908 15.755 1.957 1.00 25.00 C ATOM 266 CD GLU A 19 1.881 14.739 1.432 1.00 25.00 C ATOM 267 OE1 GLU A 19 1.725 13.701 2.104 1.00 25.00 O ATOM 268 OE2 GLU A 19 1.158 15.011 0.443 1.00 25.00 O ATOM 0 H GLU A 19 0.377 16.447 1.183 1.00 25.00 H new ATOM 0 HA GLU A 19 1.706 18.094 3.059 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.599 17.109 0.322 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.654 17.730 1.576 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.909 15.402 1.710 1.00 25.00 H new ATOM 0 HG3 GLU A 19 2.842 15.792 3.044 1.00 25.00 H new ATOM 275 N ARG A 20 2.297 20.287 1.903 1.00 25.00 N ATOM 276 CA ARG A 20 2.347 21.657 1.384 1.00 25.00 C ATOM 277 C ARG A 20 3.390 21.800 0.276 1.00 25.00 C ATOM 278 O ARG A 20 3.076 22.121 -0.856 1.00 25.00 O ATOM 279 CB ARG A 20 2.658 22.622 2.544 1.00 25.00 C ATOM 280 CG ARG A 20 2.261 24.083 2.318 1.00 25.00 C ATOM 281 CD ARG A 20 3.034 24.792 1.197 1.00 25.00 C ATOM 282 NE ARG A 20 2.696 26.225 1.129 1.00 25.00 N ATOM 283 CZ ARG A 20 3.324 27.200 1.780 1.00 25.00 C ATOM 284 NH1 ARG A 20 4.348 26.975 2.567 1.00 25.00 N ATOM 285 NH2 ARG A 20 2.910 28.428 1.635 1.00 25.00 N ATOM 0 H ARG A 20 2.880 20.126 2.724 1.00 25.00 H new ATOM 0 HA ARG A 20 1.378 21.902 0.949 1.00 25.00 H new ATOM 0 HB2 ARG A 20 2.150 22.261 3.438 1.00 25.00 H new ATOM 0 HB3 ARG A 20 3.728 22.583 2.748 1.00 25.00 H new ATOM 0 HG2 ARG A 20 1.196 24.125 2.089 1.00 25.00 H new ATOM 0 HG3 ARG A 20 2.409 24.633 3.247 1.00 25.00 H new ATOM 0 HD2 ARG A 20 4.105 24.677 1.364 1.00 25.00 H new ATOM 0 HD3 ARG A 20 2.808 24.318 0.242 1.00 25.00 H new ATOM 0 HE ARG A 20 1.914 26.492 0.532 1.00 25.00 H new ATOM 0 HH11 ARG A 20 4.691 26.023 2.698 1.00 25.00 H new ATOM 0 HH12 ARG A 20 4.802 27.752 3.048 1.00 25.00 H new ATOM 0 HH21 ARG A 20 2.115 28.630 1.029 1.00 25.00 H new ATOM 0 HH22 ARG A 20 3.381 29.187 2.128 1.00 25.00 H new ATOM 299 N SER A 21 4.644 21.625 0.652 1.00 25.00 N ATOM 300 CA SER A 21 5.777 21.836 -0.256 1.00 25.00 C ATOM 301 C SER A 21 6.263 20.556 -0.934 1.00 25.00 C ATOM 302 O SER A 21 7.425 20.457 -1.325 1.00 25.00 O ATOM 303 CB SER A 21 6.936 22.452 0.526 1.00 25.00 C ATOM 304 OG SER A 21 6.493 23.577 1.275 1.00 25.00 O ATOM 0 H SER A 21 4.914 21.333 1.591 1.00 25.00 H new ATOM 0 HA SER A 21 5.427 22.501 -1.046 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.365 21.708 1.197 1.00 25.00 H new ATOM 0 HB3 SER A 21 7.726 22.754 -0.162 1.00 25.00 H new ATOM 0 HG SER A 21 7.248 23.958 1.771 1.00 25.00 H new ATOM 310 N SER A 22 5.384 19.576 -1.051 1.00 25.00 N ATOM 311 CA SER A 22 5.715 18.308 -1.686 1.00 25.00 C ATOM 312 C SER A 22 4.475 17.825 -2.416 1.00 25.00 C ATOM 313 O SER A 22 3.404 18.380 -2.227 1.00 25.00 O ATOM 314 CB SER A 22 6.203 17.287 -0.662 1.00 25.00 C ATOM 315 OG SER A 22 5.874 17.680 0.660 1.00 25.00 O ATOM 0 H SER A 22 4.424 19.634 -0.711 1.00 25.00 H new ATOM 0 HA SER A 22 6.534 18.440 -2.393 1.00 25.00 H new ATOM 0 HB2 SER A 22 5.758 16.315 -0.875 1.00 25.00 H new ATOM 0 HB3 SER A 22 7.283 17.170 -0.750 1.00 25.00 H new ATOM 0 HG SER A 22 6.198 17.005 1.292 1.00 25.00 H new ATOM 321 N PHE A 23 4.675 16.900 -3.341 1.00 25.00 N ATOM 322 CA PHE A 23 3.700 16.556 -4.377 1.00 25.00 C ATOM 323 C PHE A 23 3.943 15.108 -4.803 1.00 25.00 C ATOM 324 O PHE A 23 4.858 14.446 -4.294 1.00 25.00 O ATOM 325 CB PHE A 23 3.883 17.495 -5.578 1.00 25.00 C ATOM 326 CG PHE A 23 5.114 18.315 -5.503 1.00 25.00 C ATOM 327 CD1 PHE A 23 5.118 19.606 -4.935 1.00 25.00 C ATOM 328 CD2 PHE A 23 6.282 17.780 -5.978 1.00 25.00 C ATOM 329 CE1 PHE A 23 6.324 20.335 -4.841 1.00 25.00 C ATOM 330 CE2 PHE A 23 7.503 18.481 -5.895 1.00 25.00 C ATOM 331 CZ PHE A 23 7.518 19.761 -5.319 1.00 25.00 C ATOM 0 H PHE A 23 5.534 16.354 -3.398 1.00 25.00 H new ATOM 0 HA PHE A 23 2.684 16.664 -3.997 1.00 25.00 H new ATOM 0 HB2 PHE A 23 3.906 16.902 -6.493 1.00 25.00 H new ATOM 0 HB3 PHE A 23 3.019 18.156 -5.648 1.00 25.00 H new ATOM 0 HD1 PHE A 23 4.197 20.038 -4.571 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.268 16.798 -6.427 1.00 25.00 H new ATOM 0 HE1 PHE A 23 6.331 21.324 -4.406 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.414 18.039 -6.270 1.00 25.00 H new ATOM 0 HZ PHE A 23 8.447 20.307 -5.242 1.00 25.00 H new ATOM 341 N TYR A 24 3.178 14.629 -5.772 1.00 25.00 N ATOM 342 CA TYR A 24 3.357 13.276 -6.283 1.00 25.00 C ATOM 343 C TYR A 24 4.106 13.404 -7.592 1.00 25.00 C ATOM 344 O TYR A 24 4.083 14.453 -8.224 1.00 25.00 O ATOM 345 CB TYR A 24 2.010 12.629 -6.605 1.00 25.00 C ATOM 346 CG TYR A 24 1.127 12.330 -5.423 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.569 11.504 -4.377 1.00 25.00 C ATOM 348 CD2 TYR A 24 -0.181 12.836 -5.367 1.00 25.00 C ATOM 349 CE1 TYR A 24 0.712 11.181 -3.293 1.00 25.00 C ATOM 350 CE2 TYR A 24 -1.045 12.508 -4.289 1.00 25.00 C ATOM 351 CZ TYR A 24 -0.587 11.681 -3.263 1.00 25.00 C ATOM 352 OH TYR A 24 -1.421 11.349 -2.227 1.00 25.00 O ATOM 0 H TYR A 24 2.428 15.155 -6.221 1.00 25.00 H new ATOM 0 HA TYR A 24 3.879 12.672 -5.541 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.466 13.286 -7.284 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.194 11.698 -7.141 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.574 11.109 -4.398 1.00 25.00 H new ATOM 0 HD2 TYR A 24 -0.535 13.484 -6.155 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.067 10.548 -2.493 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -2.052 12.897 -4.263 1.00 25.00 H new ATOM 0 HH TYR A 24 -0.891 11.195 -1.417 1.00 25.00 H new ATOM 362 N SER A 25 4.777 12.337 -7.983 1.00 25.00 N ATOM 363 CA SER A 25 5.576 12.311 -9.194 1.00 25.00 C ATOM 364 C SER A 25 5.443 10.932 -9.808 1.00 25.00 C ATOM 365 O SER A 25 5.314 9.934 -9.092 1.00 25.00 O ATOM 366 CB SER A 25 7.035 12.589 -8.837 1.00 25.00 C ATOM 367 OG SER A 25 7.868 12.608 -9.980 1.00 25.00 O ATOM 0 H SER A 25 4.783 11.458 -7.466 1.00 25.00 H new ATOM 0 HA SER A 25 5.238 13.068 -9.901 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.105 13.547 -8.322 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.390 11.827 -8.143 1.00 25.00 H new ATOM 0 HG SER A 25 8.748 12.963 -9.737 1.00 25.00 H new ATOM 373 N CYS A 26 5.455 10.868 -11.126 1.00 25.00 N ATOM 374 CA CYS A 26 5.347 9.610 -11.834 1.00 25.00 C ATOM 375 C CYS A 26 6.436 9.563 -12.887 1.00 25.00 C ATOM 376 O CYS A 26 6.609 10.516 -13.642 1.00 25.00 O ATOM 377 CB CYS A 26 3.968 9.487 -12.488 1.00 25.00 C ATOM 378 SG CYS A 26 3.440 7.762 -12.725 1.00 25.00 S ATOM 0 H CYS A 26 5.540 11.684 -11.732 1.00 25.00 H new ATOM 0 HA CYS A 26 5.465 8.778 -11.139 1.00 25.00 H new ATOM 0 HB2 CYS A 26 3.233 10.004 -11.871 1.00 25.00 H new ATOM 0 HB3 CYS A 26 3.985 9.991 -13.454 1.00 25.00 H new ATOM 383 N ALA A 27 7.170 8.463 -12.927 1.00 25.00 N ATOM 384 CA ALA A 27 8.226 8.274 -13.915 1.00 25.00 C ATOM 385 C ALA A 27 8.264 6.798 -14.294 1.00 25.00 C ATOM 386 O ALA A 27 8.378 5.947 -13.418 1.00 25.00 O ATOM 387 CB ALA A 27 9.577 8.721 -13.337 1.00 25.00 C ATOM 0 H ALA A 27 7.054 7.681 -12.283 1.00 25.00 H new ATOM 0 HA ALA A 27 8.027 8.877 -14.801 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.358 8.575 -14.083 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.526 9.776 -13.066 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.807 8.130 -12.451 1.00 25.00 H new ATOM 393 N ALA A 28 8.118 6.501 -15.580 1.00 25.00 N ATOM 394 CA ALA A 28 8.098 5.125 -16.101 1.00 25.00 C ATOM 395 C ALA A 28 7.057 4.239 -15.385 1.00 25.00 C ATOM 396 O ALA A 28 7.277 3.045 -15.162 1.00 25.00 O ATOM 397 CB ALA A 28 9.510 4.501 -16.017 1.00 25.00 C ATOM 0 H ALA A 28 8.008 7.211 -16.304 1.00 25.00 H new ATOM 0 HA ALA A 28 7.795 5.176 -17.147 1.00 25.00 H new ATOM 0 HB1 ALA A 28 9.482 3.483 -16.405 1.00 25.00 H new ATOM 0 HB2 ALA A 28 10.206 5.096 -16.608 1.00 25.00 H new ATOM 0 HB3 ALA A 28 9.839 4.484 -14.978 1.00 25.00 H new ATOM 403 N GLY A 29 5.937 4.838 -15.000 1.00 25.00 N ATOM 404 CA GLY A 29 4.884 4.101 -14.312 1.00 25.00 C ATOM 405 C GLY A 29 5.206 3.778 -12.863 1.00 25.00 C ATOM 406 O GLY A 29 4.532 2.951 -12.236 1.00 25.00 O ATOM 0 H GLY A 29 5.735 5.826 -15.151 1.00 25.00 H new ATOM 0 HA2 GLY A 29 3.963 4.683 -14.348 1.00 25.00 H new ATOM 0 HA3 GLY A 29 4.695 3.171 -14.848 1.00 25.00 H new ATOM 410 N ARG A 30 6.236 4.413 -12.319 1.00 25.00 N ATOM 411 CA ARG A 30 6.641 4.214 -10.925 1.00 25.00 C ATOM 412 C ARG A 30 6.274 5.465 -10.154 1.00 25.00 C ATOM 413 O ARG A 30 6.437 6.570 -10.659 1.00 25.00 O ATOM 414 CB ARG A 30 8.159 4.001 -10.821 1.00 25.00 C ATOM 415 CG ARG A 30 8.735 2.936 -11.755 1.00 25.00 C ATOM 416 CD ARG A 30 8.184 1.560 -11.458 1.00 25.00 C ATOM 417 NE ARG A 30 8.791 0.545 -12.331 1.00 25.00 N ATOM 418 CZ ARG A 30 8.557 -0.760 -12.262 1.00 25.00 C ATOM 419 NH1 ARG A 30 9.162 -1.558 -13.096 1.00 25.00 N ATOM 420 NH2 ARG A 30 7.735 -1.274 -11.379 1.00 25.00 N ATOM 0 H ARG A 30 6.816 5.080 -12.827 1.00 25.00 H new ATOM 0 HA ARG A 30 6.139 3.333 -10.524 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.657 4.949 -11.026 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.402 3.729 -9.794 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.510 3.201 -12.788 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.821 2.920 -11.659 1.00 25.00 H new ATOM 0 HD2 ARG A 30 8.374 1.307 -10.415 1.00 25.00 H new ATOM 0 HD3 ARG A 30 7.103 1.561 -11.594 1.00 25.00 H new ATOM 0 HE ARG A 30 9.443 0.869 -13.046 1.00 25.00 H new ATOM 0 HH11 ARG A 30 9.806 -1.178 -13.790 1.00 25.00 H new ATOM 0 HH12 ARG A 30 8.992 -2.563 -13.055 1.00 25.00 H new ATOM 0 HH21 ARG A 30 7.252 -0.666 -10.717 1.00 25.00 H new ATOM 0 HH22 ARG A 30 7.578 -2.282 -11.354 1.00 25.00 H new ATOM 434 N LEU A 31 5.784 5.287 -8.939 1.00 25.00 N ATOM 435 CA LEU A 31 5.408 6.411 -8.089 1.00 25.00 C ATOM 436 C LEU A 31 6.604 6.886 -7.287 1.00 25.00 C ATOM 437 O LEU A 31 7.226 6.104 -6.571 1.00 25.00 O ATOM 438 CB LEU A 31 4.293 5.985 -7.120 1.00 25.00 C ATOM 439 CG LEU A 31 3.895 6.999 -6.026 1.00 25.00 C ATOM 440 CD1 LEU A 31 3.452 8.340 -6.604 1.00 25.00 C ATOM 441 CD2 LEU A 31 2.779 6.399 -5.170 1.00 25.00 C ATOM 0 H LEU A 31 5.636 4.371 -8.515 1.00 25.00 H new ATOM 0 HA LEU A 31 5.053 7.222 -8.725 1.00 25.00 H new ATOM 0 HB2 LEU A 31 3.404 5.752 -7.706 1.00 25.00 H new ATOM 0 HB3 LEU A 31 4.603 5.062 -6.631 1.00 25.00 H new ATOM 0 HG LEU A 31 4.777 7.196 -5.416 1.00 25.00 H new ATOM 0 HD11 LEU A 31 3.183 9.015 -5.792 1.00 25.00 H new ATOM 0 HD12 LEU A 31 4.268 8.774 -7.182 1.00 25.00 H new ATOM 0 HD13 LEU A 31 2.588 8.190 -7.251 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.493 7.110 -4.395 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.916 6.180 -5.799 1.00 25.00 H new ATOM 0 HD23 LEU A 31 3.132 5.478 -4.705 1.00 25.00 H new ATOM 453 N PHE A 32 6.860 8.180 -7.348 1.00 25.00 N ATOM 454 CA PHE A 32 7.821 8.826 -6.471 1.00 25.00 C ATOM 455 C PHE A 32 7.017 9.899 -5.753 1.00 25.00 C ATOM 456 O PHE A 32 6.158 10.521 -6.349 1.00 25.00 O ATOM 457 CB PHE A 32 8.967 9.459 -7.256 1.00 25.00 C ATOM 458 CG PHE A 32 9.904 8.458 -7.863 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.538 7.771 -9.027 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.160 8.204 -7.282 1.00 25.00 C ATOM 461 CE1 PHE A 32 10.418 6.838 -9.629 1.00 25.00 C ATOM 462 CE2 PHE A 32 12.050 7.265 -7.866 1.00 25.00 C ATOM 463 CZ PHE A 32 11.678 6.586 -9.046 1.00 25.00 C ATOM 0 H PHE A 32 6.408 8.814 -8.007 1.00 25.00 H new ATOM 0 HA PHE A 32 8.285 8.113 -5.789 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.553 10.083 -8.048 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.530 10.116 -6.594 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.571 7.955 -9.472 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.450 8.728 -6.383 1.00 25.00 H new ATOM 0 HE1 PHE A 32 10.125 6.321 -10.531 1.00 25.00 H new ATOM 0 HE2 PHE A 32 13.009 7.071 -7.409 1.00 25.00 H new ATOM 0 HZ PHE A 32 12.354 5.877 -9.500 1.00 25.00 H new ATOM 473 N GLN A 33 7.261 10.109 -4.476 1.00 25.00 N ATOM 474 CA GLN A 33 6.596 11.189 -3.751 1.00 25.00 C ATOM 475 C GLN A 33 7.743 12.129 -3.410 1.00 25.00 C ATOM 476 O GLN A 33 8.765 11.672 -2.903 1.00 25.00 O ATOM 477 CB GLN A 33 5.853 10.635 -2.534 1.00 25.00 C ATOM 478 CG GLN A 33 4.756 9.607 -2.923 1.00 25.00 C ATOM 479 CD GLN A 33 4.048 9.034 -1.716 1.00 25.00 C ATOM 480 OE1 GLN A 33 2.874 9.265 -1.506 1.00 25.00 O ATOM 481 NE2 GLN A 33 4.756 8.267 -0.929 1.00 25.00 N ATOM 0 H GLN A 33 7.909 9.555 -3.916 1.00 25.00 H new ATOM 0 HA GLN A 33 5.820 11.708 -4.313 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.568 10.161 -1.861 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.396 11.459 -1.986 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.026 10.088 -3.574 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.208 8.796 -3.494 1.00 25.00 H new ATOM 0 HE21 GLN A 33 5.740 8.094 -1.135 1.00 25.00 H new ATOM 0 HE22 GLN A 33 4.325 7.841 -0.109 1.00 25.00 H new ATOM 490 N GLN A 34 7.656 13.379 -3.845 1.00 25.00 N ATOM 491 CA GLN A 34 8.820 14.270 -3.836 1.00 25.00 C ATOM 492 C GLN A 34 8.515 15.663 -3.342 1.00 25.00 C ATOM 493 O GLN A 34 7.381 16.109 -3.375 1.00 25.00 O ATOM 494 CB GLN A 34 9.370 14.420 -5.266 1.00 25.00 C ATOM 495 CG GLN A 34 9.868 13.114 -5.880 1.00 25.00 C ATOM 496 CD GLN A 34 10.568 13.325 -7.207 1.00 25.00 C ATOM 497 OE1 GLN A 34 9.963 13.729 -8.185 1.00 25.00 O ATOM 498 NE2 GLN A 34 11.843 13.038 -7.246 1.00 25.00 N ATOM 0 H GLN A 34 6.801 13.801 -4.207 1.00 25.00 H new ATOM 0 HA GLN A 34 9.535 13.808 -3.156 1.00 25.00 H new ATOM 0 HB2 GLN A 34 8.589 14.834 -5.903 1.00 25.00 H new ATOM 0 HB3 GLN A 34 10.188 15.140 -5.256 1.00 25.00 H new ATOM 0 HG2 GLN A 34 10.553 12.628 -5.185 1.00 25.00 H new ATOM 0 HG3 GLN A 34 9.025 12.438 -6.022 1.00 25.00 H new ATOM 0 HE21 GLN A 34 12.316 12.702 -6.407 1.00 25.00 H new ATOM 0 HE22 GLN A 34 12.365 13.150 -8.115 1.00 25.00 H new ATOM 507 N SER A 35 9.575 16.381 -3.021 1.00 25.00 N ATOM 508 CA SER A 35 9.538 17.820 -2.834 1.00 25.00 C ATOM 509 C SER A 35 10.594 18.250 -3.843 1.00 25.00 C ATOM 510 O SER A 35 11.414 17.420 -4.246 1.00 25.00 O ATOM 511 CB SER A 35 9.943 18.213 -1.413 1.00 25.00 C ATOM 512 OG SER A 35 11.211 17.668 -1.085 1.00 25.00 O ATOM 0 H SER A 35 10.500 15.975 -2.881 1.00 25.00 H new ATOM 0 HA SER A 35 8.555 18.271 -2.972 1.00 25.00 H new ATOM 0 HB2 SER A 35 9.975 19.299 -1.326 1.00 25.00 H new ATOM 0 HB3 SER A 35 9.195 17.858 -0.705 1.00 25.00 H new ATOM 0 HG SER A 35 11.454 17.931 -0.173 1.00 25.00 H new ATOM 518 N CYS A 36 10.604 19.505 -4.261 1.00 25.00 N ATOM 519 CA CYS A 36 11.629 19.971 -5.192 1.00 25.00 C ATOM 520 C CYS A 36 12.644 20.734 -4.352 1.00 25.00 C ATOM 521 O CYS A 36 12.267 21.635 -3.608 1.00 25.00 O ATOM 522 CB CYS A 36 11.039 20.863 -6.277 1.00 25.00 C ATOM 523 SG CYS A 36 10.095 19.914 -7.510 1.00 25.00 S ATOM 0 H CYS A 36 9.927 20.213 -3.978 1.00 25.00 H new ATOM 0 HA CYS A 36 12.090 19.132 -5.713 1.00 25.00 H new ATOM 0 HB2 CYS A 36 10.388 21.608 -5.819 1.00 25.00 H new ATOM 0 HB3 CYS A 36 11.842 21.405 -6.776 1.00 25.00 H new ATOM 528 N PRO A 37 13.930 20.339 -4.397 1.00 25.00 N ATOM 529 CA PRO A 37 14.818 20.971 -3.415 1.00 25.00 C ATOM 530 C PRO A 37 15.138 22.451 -3.637 1.00 25.00 C ATOM 531 O PRO A 37 14.995 23.253 -2.719 1.00 25.00 O ATOM 532 CB PRO A 37 16.083 20.105 -3.494 1.00 25.00 C ATOM 533 CG PRO A 37 16.079 19.558 -4.882 1.00 25.00 C ATOM 534 CD PRO A 37 14.626 19.294 -5.174 1.00 25.00 C ATOM 0 HA PRO A 37 14.335 21.002 -2.438 1.00 25.00 H new ATOM 0 HB2 PRO A 37 16.980 20.695 -3.303 1.00 25.00 H new ATOM 0 HB3 PRO A 37 16.063 19.306 -2.753 1.00 25.00 H new ATOM 0 HG2 PRO A 37 16.504 20.269 -5.591 1.00 25.00 H new ATOM 0 HG3 PRO A 37 16.671 18.645 -4.952 1.00 25.00 H new ATOM 0 HD2 PRO A 37 14.409 19.373 -6.239 1.00 25.00 H new ATOM 0 HD3 PRO A 37 14.328 18.294 -4.861 1.00 25.00 H new ATOM 542 N THR A 38 15.653 22.824 -4.800 1.00 25.00 N ATOM 543 CA THR A 38 16.071 24.202 -4.996 1.00 25.00 C ATOM 544 C THR A 38 14.962 25.174 -5.345 1.00 25.00 C ATOM 545 O THR A 38 14.806 25.583 -6.485 1.00 25.00 O ATOM 546 CB THR A 38 17.123 24.231 -6.085 1.00 25.00 C ATOM 547 OG1 THR A 38 16.938 23.096 -6.939 1.00 25.00 O ATOM 548 CG2 THR A 38 18.467 24.145 -5.450 1.00 25.00 C ATOM 0 H THR A 38 15.789 22.209 -5.602 1.00 25.00 H new ATOM 0 HA THR A 38 16.455 24.542 -4.034 1.00 25.00 H new ATOM 0 HB THR A 38 17.040 25.150 -6.666 1.00 25.00 H new ATOM 0 HG1 THR A 38 17.614 23.107 -7.649 1.00 25.00 H new ATOM 0 HG21 THR A 38 19.236 24.165 -6.222 1.00 25.00 H new ATOM 0 HG22 THR A 38 18.606 24.991 -4.777 1.00 25.00 H new ATOM 0 HG23 THR A 38 18.544 23.216 -4.885 1.00 25.00 H new ATOM 556 N GLY A 39 14.309 25.673 -4.314 1.00 25.00 N ATOM 557 CA GLY A 39 13.391 26.801 -4.459 1.00 25.00 C ATOM 558 C GLY A 39 12.110 26.593 -5.266 1.00 25.00 C ATOM 559 O GLY A 39 11.302 27.515 -5.367 1.00 25.00 O ATOM 0 H GLY A 39 14.393 25.318 -3.361 1.00 25.00 H new ATOM 0 HA2 GLY A 39 13.105 27.127 -3.459 1.00 25.00 H new ATOM 0 HA3 GLY A 39 13.943 27.622 -4.917 1.00 25.00 H new ATOM 563 N LEU A 40 11.980 25.467 -5.955 1.00 25.00 N ATOM 564 CA LEU A 40 10.929 25.310 -6.968 1.00 25.00 C ATOM 565 C LEU A 40 9.572 24.955 -6.372 1.00 25.00 C ATOM 566 O LEU A 40 9.486 24.351 -5.305 1.00 25.00 O ATOM 567 CB LEU A 40 11.313 24.224 -7.988 1.00 25.00 C ATOM 568 CG LEU A 40 12.717 24.254 -8.624 1.00 25.00 C ATOM 569 CD1 LEU A 40 12.878 23.093 -9.599 1.00 25.00 C ATOM 570 CD2 LEU A 40 13.007 25.562 -9.348 1.00 25.00 C ATOM 0 H LEU A 40 12.581 24.651 -5.837 1.00 25.00 H new ATOM 0 HA LEU A 40 10.841 26.281 -7.456 1.00 25.00 H new ATOM 0 HB2 LEU A 40 11.195 23.257 -7.498 1.00 25.00 H new ATOM 0 HB3 LEU A 40 10.585 24.262 -8.798 1.00 25.00 H new ATOM 0 HG LEU A 40 13.432 24.163 -7.807 1.00 25.00 H new ATOM 0 HD11 LEU A 40 13.874 23.125 -10.042 1.00 25.00 H new ATOM 0 HD12 LEU A 40 12.747 22.151 -9.067 1.00 25.00 H new ATOM 0 HD13 LEU A 40 12.128 23.172 -10.386 1.00 25.00 H new ATOM 0 HD21 LEU A 40 14.009 25.527 -9.776 1.00 25.00 H new ATOM 0 HD22 LEU A 40 12.277 25.707 -10.144 1.00 25.00 H new ATOM 0 HD23 LEU A 40 12.943 26.390 -8.642 1.00 25.00 H new ATOM 582 N VAL A 41 8.522 25.278 -7.112 1.00 25.00 N ATOM 583 CA VAL A 41 7.158 24.977 -6.715 1.00 25.00 C ATOM 584 C VAL A 41 6.522 24.165 -7.841 1.00 25.00 C ATOM 585 O VAL A 41 6.882 24.275 -9.004 1.00 25.00 O ATOM 586 CB VAL A 41 6.316 26.271 -6.462 1.00 25.00 C ATOM 587 CG1 VAL A 41 6.891 27.029 -5.244 1.00 25.00 C ATOM 588 CG2 VAL A 41 6.325 27.215 -7.694 1.00 25.00 C ATOM 0 H VAL A 41 8.594 25.759 -8.009 1.00 25.00 H new ATOM 0 HA VAL A 41 7.175 24.422 -5.777 1.00 25.00 H new ATOM 0 HB VAL A 41 5.287 25.966 -6.274 1.00 25.00 H new ATOM 0 HG11 VAL A 41 6.305 27.931 -5.067 1.00 25.00 H new ATOM 0 HG12 VAL A 41 6.847 26.389 -4.363 1.00 25.00 H new ATOM 0 HG13 VAL A 41 7.927 27.303 -5.442 1.00 25.00 H new ATOM 0 HG21 VAL A 41 5.729 28.102 -7.477 1.00 25.00 H new ATOM 0 HG22 VAL A 41 7.350 27.512 -7.917 1.00 25.00 H new ATOM 0 HG23 VAL A 41 5.903 26.695 -8.554 1.00 25.00 H new ATOM 598 N PHE A 42 5.561 23.327 -7.494 1.00 25.00 N ATOM 599 CA PHE A 42 4.868 22.502 -8.508 1.00 25.00 C ATOM 600 C PHE A 42 3.890 23.383 -9.298 1.00 25.00 C ATOM 601 O PHE A 42 2.977 23.984 -8.728 1.00 25.00 O ATOM 602 CB PHE A 42 4.132 21.399 -7.835 1.00 25.00 C ATOM 603 CG PHE A 42 3.218 20.622 -8.739 1.00 25.00 C ATOM 604 CD1 PHE A 42 3.625 20.261 -10.036 1.00 25.00 C ATOM 605 CD2 PHE A 42 1.879 20.238 -8.309 1.00 25.00 C ATOM 606 CE1 PHE A 42 2.735 19.531 -10.866 1.00 25.00 C ATOM 607 CE2 PHE A 42 1.037 19.538 -9.117 1.00 25.00 C ATOM 608 CZ PHE A 42 1.511 19.190 -10.430 1.00 25.00 C ATOM 0 H PHE A 42 5.236 23.190 -6.537 1.00 25.00 H new ATOM 0 HA PHE A 42 5.598 22.073 -9.194 1.00 25.00 H new ATOM 0 HB2 PHE A 42 4.854 20.713 -7.392 1.00 25.00 H new ATOM 0 HB3 PHE A 42 3.545 21.816 -7.016 1.00 25.00 H new ATOM 0 HD1 PHE A 42 4.605 20.537 -10.397 1.00 25.00 H new ATOM 0 HD2 PHE A 42 1.546 20.517 -7.320 1.00 25.00 H new ATOM 0 HE1 PHE A 42 3.046 19.246 -11.860 1.00 25.00 H new ATOM 0 HE2 PHE A 42 0.049 19.254 -8.785 1.00 25.00 H new ATOM 0 HZ PHE A 42 0.860 18.635 -11.089 1.00 25.00 H new ATOM 618 N SER A 43 4.020 23.347 -10.619 1.00 25.00 N ATOM 619 CA SER A 43 3.094 24.024 -11.503 1.00 25.00 C ATOM 620 C SER A 43 2.269 22.972 -12.232 1.00 25.00 C ATOM 621 O SER A 43 2.765 22.227 -13.080 1.00 25.00 O ATOM 622 CB SER A 43 3.857 24.905 -12.488 1.00 25.00 C ATOM 623 OG SER A 43 2.945 25.562 -13.366 1.00 25.00 O ATOM 0 H SER A 43 4.768 22.849 -11.100 1.00 25.00 H new ATOM 0 HA SER A 43 2.429 24.671 -10.931 1.00 25.00 H new ATOM 0 HB2 SER A 43 4.448 25.643 -11.946 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.556 24.299 -13.064 1.00 25.00 H new ATOM 0 HG SER A 43 2.694 24.954 -14.092 1.00 25.00 H new ATOM 629 N ASN A 44 0.999 22.901 -11.868 1.00 25.00 N ATOM 630 CA ASN A 44 0.084 21.892 -12.404 1.00 25.00 C ATOM 631 C ASN A 44 -0.194 22.046 -13.905 1.00 25.00 C ATOM 632 O ASN A 44 -0.733 21.144 -14.539 1.00 25.00 O ATOM 633 CB ASN A 44 -1.239 21.921 -11.628 1.00 25.00 C ATOM 634 CG ASN A 44 -2.095 20.699 -11.895 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.599 19.595 -12.034 1.00 25.00 O ATOM 636 ND2 ASN A 44 -3.385 20.894 -11.950 1.00 25.00 N ATOM 0 H ASN A 44 0.569 23.536 -11.195 1.00 25.00 H new ATOM 0 HA ASN A 44 0.582 20.931 -12.278 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -1.029 21.987 -10.560 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -1.796 22.818 -11.900 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -4.013 20.107 -12.114 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -3.764 21.833 -11.829 1.00 25.00 H new ATOM 643 N SER A 45 0.158 23.181 -14.488 1.00 25.00 N ATOM 644 CA SER A 45 -0.032 23.364 -15.924 1.00 25.00 C ATOM 645 C SER A 45 0.969 22.506 -16.705 1.00 25.00 C ATOM 646 O SER A 45 0.588 21.792 -17.630 1.00 25.00 O ATOM 647 CB SER A 45 0.135 24.838 -16.294 1.00 25.00 C ATOM 648 OG SER A 45 1.354 25.346 -15.782 1.00 25.00 O ATOM 0 H SER A 45 0.570 23.978 -14.003 1.00 25.00 H new ATOM 0 HA SER A 45 -1.042 23.049 -16.186 1.00 25.00 H new ATOM 0 HB2 SER A 45 0.115 24.951 -17.378 1.00 25.00 H new ATOM 0 HB3 SER A 45 -0.701 25.415 -15.898 1.00 25.00 H new ATOM 0 HG SER A 45 1.445 26.290 -16.030 1.00 25.00 H new ATOM 654 N CYS A 46 2.240 22.565 -16.316 1.00 25.00 N ATOM 655 CA CYS A 46 3.313 21.857 -17.024 1.00 25.00 C ATOM 656 C CYS A 46 3.610 20.471 -16.462 1.00 25.00 C ATOM 657 O CYS A 46 4.426 19.752 -17.022 1.00 25.00 O ATOM 658 CB CYS A 46 4.604 22.676 -16.953 1.00 25.00 C ATOM 659 SG CYS A 46 5.210 22.882 -15.249 1.00 25.00 S ATOM 0 H CYS A 46 2.558 23.100 -15.508 1.00 25.00 H new ATOM 0 HA CYS A 46 2.962 21.733 -18.049 1.00 25.00 H new ATOM 0 HB2 CYS A 46 5.373 22.188 -17.552 1.00 25.00 H new ATOM 0 HB3 CYS A 46 4.432 23.658 -17.395 1.00 25.00 H new ATOM 664 N LYS A 47 2.976 20.131 -15.339 1.00 25.00 N ATOM 665 CA LYS A 47 3.206 18.851 -14.625 1.00 25.00 C ATOM 666 C LYS A 47 4.682 18.814 -14.233 1.00 25.00 C ATOM 667 O LYS A 47 5.335 17.778 -14.277 1.00 25.00 O ATOM 668 CB LYS A 47 2.808 17.604 -15.463 1.00 25.00 C ATOM 669 CG LYS A 47 1.304 17.284 -15.485 1.00 25.00 C ATOM 670 CD LYS A 47 0.513 18.447 -16.020 1.00 25.00 C ATOM 671 CE LYS A 47 -0.925 18.117 -16.303 1.00 25.00 C ATOM 672 NZ LYS A 47 -1.597 19.384 -16.742 1.00 25.00 N ATOM 0 H LYS A 47 2.284 20.730 -14.889 1.00 25.00 H new ATOM 0 HA LYS A 47 2.566 18.809 -13.744 1.00 25.00 H new ATOM 0 HB2 LYS A 47 3.147 17.752 -16.488 1.00 25.00 H new ATOM 0 HB3 LYS A 47 3.342 16.738 -15.072 1.00 25.00 H new ATOM 0 HG2 LYS A 47 1.125 16.403 -16.102 1.00 25.00 H new ATOM 0 HG3 LYS A 47 0.965 17.042 -14.478 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.555 19.265 -15.301 1.00 25.00 H new ATOM 0 HD3 LYS A 47 0.982 18.804 -16.937 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -0.999 17.355 -17.079 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -1.409 17.714 -15.413 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -2.624 19.230 -16.800 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -1.398 20.139 -16.054 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -1.235 19.663 -17.676 1.00 25.00 H new ATOM 686 N CYS A 48 5.215 19.979 -13.904 1.00 25.00 N ATOM 687 CA CYS A 48 6.641 20.138 -13.668 1.00 25.00 C ATOM 688 C CYS A 48 6.884 21.120 -12.531 1.00 25.00 C ATOM 689 O CYS A 48 5.964 21.811 -12.092 1.00 25.00 O ATOM 690 CB CYS A 48 7.320 20.629 -14.961 1.00 25.00 C ATOM 691 SG CYS A 48 7.189 22.422 -15.321 1.00 25.00 S ATOM 0 H CYS A 48 4.675 20.837 -13.793 1.00 25.00 H new ATOM 0 HA CYS A 48 7.069 19.177 -13.382 1.00 25.00 H new ATOM 0 HB2 CYS A 48 8.377 20.367 -14.913 1.00 25.00 H new ATOM 0 HB3 CYS A 48 6.893 20.080 -15.800 1.00 25.00 H new ATOM 696 N CYS A 49 8.115 21.174 -12.049 1.00 25.00 N ATOM 697 CA CYS A 49 8.481 22.101 -10.986 1.00 25.00 C ATOM 698 C CYS A 49 9.100 23.335 -11.627 1.00 25.00 C ATOM 699 O CYS A 49 9.968 23.215 -12.489 1.00 25.00 O ATOM 700 CB CYS A 49 9.478 21.446 -10.035 1.00 25.00 C ATOM 701 SG CYS A 49 8.839 21.268 -8.343 1.00 25.00 S ATOM 0 H CYS A 49 8.881 20.586 -12.377 1.00 25.00 H new ATOM 0 HA CYS A 49 7.598 22.379 -10.411 1.00 25.00 H new ATOM 0 HB2 CYS A 49 9.747 20.463 -10.421 1.00 25.00 H new ATOM 0 HB3 CYS A 49 10.392 22.040 -10.011 1.00 25.00 H new ATOM 706 N THR A 50 8.641 24.506 -11.223 1.00 25.00 N ATOM 707 CA THR A 50 9.099 25.766 -11.801 1.00 25.00 C ATOM 708 C THR A 50 9.617 26.686 -10.716 1.00 25.00 C ATOM 709 O THR A 50 9.175 26.618 -9.573 1.00 25.00 O ATOM 710 CB THR A 50 7.936 26.498 -12.504 1.00 25.00 C ATOM 711 OG1 THR A 50 6.855 26.666 -11.581 1.00 25.00 O ATOM 712 CG2 THR A 50 7.417 25.698 -13.677 1.00 25.00 C ATOM 0 H THR A 50 7.943 24.615 -10.488 1.00 25.00 H new ATOM 0 HA THR A 50 9.887 25.528 -12.515 1.00 25.00 H new ATOM 0 HB THR A 50 8.310 27.459 -12.856 1.00 25.00 H new ATOM 0 HG1 THR A 50 6.116 27.132 -12.024 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.598 26.239 -14.152 1.00 25.00 H new ATOM 0 HG22 THR A 50 8.220 25.548 -14.399 1.00 25.00 H new ATOM 0 HG23 THR A 50 7.058 24.730 -13.327 1.00 25.00 H new ATOM 720 N TRP A 51 10.531 27.572 -11.075 1.00 25.00 N ATOM 721 CA TRP A 51 11.006 28.580 -10.145 1.00 25.00 C ATOM 722 C TRP A 51 9.887 29.598 -9.968 1.00 25.00 C ATOM 723 O TRP A 51 9.131 29.857 -10.907 1.00 25.00 O ATOM 724 CB TRP A 51 12.256 29.252 -10.702 1.00 25.00 C ATOM 725 CG TRP A 51 12.892 30.149 -9.708 1.00 25.00 C ATOM 726 CD1 TRP A 51 13.525 29.783 -8.573 1.00 25.00 C ATOM 727 CD2 TRP A 51 12.954 31.588 -9.739 1.00 25.00 C ATOM 728 NE1 TRP A 51 13.981 30.864 -7.878 1.00 25.00 N ATOM 729 CE2 TRP A 51 13.646 32.001 -8.561 1.00 25.00 C ATOM 730 CE3 TRP A 51 12.501 32.572 -10.640 1.00 25.00 C ATOM 731 CZ2 TRP A 51 13.882 33.358 -8.261 1.00 25.00 C ATOM 732 CZ3 TRP A 51 12.747 33.940 -10.348 1.00 25.00 C ATOM 733 CH2 TRP A 51 13.432 34.315 -9.154 1.00 25.00 C ATOM 0 H TRP A 51 10.957 27.613 -12.001 1.00 25.00 H new ATOM 0 HA TRP A 51 11.267 28.133 -9.186 1.00 25.00 H new ATOM 0 HB2 TRP A 51 12.970 28.489 -11.012 1.00 25.00 H new ATOM 0 HB3 TRP A 51 11.994 29.824 -11.592 1.00 25.00 H new ATOM 0 HD1 TRP A 51 13.654 28.759 -8.254 1.00 25.00 H new ATOM 0 HE1 TRP A 51 14.489 30.830 -6.994 1.00 25.00 H new ATOM 0 HE3 TRP A 51 11.974 32.290 -11.540 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 14.401 33.644 -7.358 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 12.413 34.703 -11.036 1.00 25.00 H new ATOM 0 HH2 TRP A 51 13.602 35.361 -8.944 1.00 25.00 H new ATOM 744 N ASN A 52 9.763 30.166 -8.778 1.00 25.00 N ATOM 745 CA ASN A 52 8.716 31.150 -8.519 1.00 25.00 C ATOM 746 C ASN A 52 9.101 32.529 -9.057 1.00 25.00 C ATOM 747 O ASN A 52 9.598 33.376 -8.325 1.00 25.00 O ATOM 748 CB ASN A 52 8.419 31.252 -7.024 1.00 25.00 C ATOM 749 CG ASN A 52 7.301 32.220 -6.735 1.00 25.00 C ATOM 750 OD1 ASN A 52 6.372 32.350 -7.512 1.00 25.00 O ATOM 751 ND2 ASN A 52 7.390 32.910 -5.633 1.00 25.00 N ATOM 0 H ASN A 52 10.367 29.967 -7.981 1.00 25.00 H new ATOM 0 HA ASN A 52 7.820 30.810 -9.039 1.00 25.00 H new ATOM 0 HB2 ASN A 52 8.154 30.267 -6.639 1.00 25.00 H new ATOM 0 HB3 ASN A 52 9.319 31.569 -6.497 1.00 25.00 H new ATOM 0 HD21 ASN A 52 6.666 33.588 -5.396 1.00 25.00 H new ATOM 0 HD22 ASN A 52 8.184 32.772 -5.008 1.00 25.00 H new ATOM 758 N GLY A 53 8.849 32.745 -10.339 1.00 25.00 N ATOM 759 CA GLY A 53 9.154 34.017 -10.978 1.00 25.00 C ATOM 760 C GLY A 53 7.997 34.997 -10.948 1.00 25.00 C ATOM 761 O GLY A 53 7.812 35.768 -11.885 1.00 25.00 O ATOM 0 H GLY A 53 8.432 32.052 -10.961 1.00 25.00 H new ATOM 0 HA2 GLY A 53 10.015 34.467 -10.483 1.00 25.00 H new ATOM 0 HA3 GLY A 53 9.441 33.836 -12.014 1.00 25.00 H new ATOM 765 N LEU A 54 7.194 34.952 -9.894 1.00 25.00 N ATOM 766 CA LEU A 54 6.047 35.847 -9.775 1.00 25.00 C ATOM 767 C LEU A 54 6.514 37.259 -9.427 1.00 25.00 C ATOM 768 O LEU A 54 6.919 37.534 -8.298 1.00 25.00 O ATOM 769 CB LEU A 54 5.085 35.336 -8.714 1.00 25.00 C ATOM 770 CG LEU A 54 3.790 36.151 -8.537 1.00 25.00 C ATOM 771 CD1 LEU A 54 3.139 36.629 -9.853 1.00 25.00 C ATOM 772 CD2 LEU A 54 2.829 35.249 -7.824 1.00 25.00 C ATOM 0 H LEU A 54 7.313 34.309 -9.111 1.00 25.00 H new ATOM 0 HA LEU A 54 5.527 35.875 -10.732 1.00 25.00 H new ATOM 0 HB2 LEU A 54 4.815 34.309 -8.959 1.00 25.00 H new ATOM 0 HB3 LEU A 54 5.609 35.309 -7.758 1.00 25.00 H new ATOM 0 HG LEU A 54 4.036 37.062 -7.992 1.00 25.00 H new ATOM 0 HD11 LEU A 54 2.234 37.193 -9.627 1.00 25.00 H new ATOM 0 HD12 LEU A 54 3.838 37.266 -10.395 1.00 25.00 H new ATOM 0 HD13 LEU A 54 2.884 35.766 -10.467 1.00 25.00 H new ATOM 0 HD21 LEU A 54 1.886 35.773 -7.668 1.00 25.00 H new ATOM 0 HD22 LEU A 54 2.654 34.357 -8.425 1.00 25.00 H new ATOM 0 HD23 LEU A 54 3.248 34.961 -6.860 1.00 25.00 H new ATOM 784 N VAL A 55 6.446 38.153 -10.399 1.00 25.00 N ATOM 785 CA VAL A 55 6.823 39.546 -10.189 1.00 25.00 C ATOM 786 C VAL A 55 5.646 40.237 -9.482 1.00 25.00 C ATOM 787 O VAL A 55 4.525 40.212 -9.980 1.00 25.00 O ATOM 788 CB VAL A 55 7.142 40.248 -11.544 1.00 25.00 C ATOM 789 CG1 VAL A 55 7.559 41.711 -11.325 1.00 25.00 C ATOM 790 CG2 VAL A 55 8.273 39.497 -12.274 1.00 25.00 C ATOM 0 H VAL A 55 6.132 37.940 -11.346 1.00 25.00 H new ATOM 0 HA VAL A 55 7.725 39.607 -9.580 1.00 25.00 H new ATOM 0 HB VAL A 55 6.237 40.232 -12.152 1.00 25.00 H new ATOM 0 HG11 VAL A 55 7.775 42.176 -12.287 1.00 25.00 H new ATOM 0 HG12 VAL A 55 6.749 42.251 -10.835 1.00 25.00 H new ATOM 0 HG13 VAL A 55 8.449 41.745 -10.697 1.00 25.00 H new ATOM 0 HG21 VAL A 55 8.489 39.995 -13.219 1.00 25.00 H new ATOM 0 HG22 VAL A 55 9.168 39.494 -11.652 1.00 25.00 H new ATOM 0 HG23 VAL A 55 7.962 38.470 -12.467 1.00 25.00 H new ATOM 800 N PRO A 56 5.874 40.822 -8.288 1.00 25.00 N ATOM 801 CA PRO A 56 4.757 41.434 -7.555 1.00 25.00 C ATOM 802 C PRO A 56 4.443 42.876 -7.969 1.00 25.00 C ATOM 803 O PRO A 56 3.677 43.565 -7.290 1.00 25.00 O ATOM 804 CB PRO A 56 5.263 41.401 -6.115 1.00 25.00 C ATOM 805 CG PRO A 56 6.714 41.660 -6.256 1.00 25.00 C ATOM 806 CD PRO A 56 7.126 40.908 -7.506 1.00 25.00 C ATOM 0 HA PRO A 56 3.822 40.904 -7.739 1.00 25.00 H new ATOM 0 HB2 PRO A 56 4.777 42.159 -5.501 1.00 25.00 H new ATOM 0 HB3 PRO A 56 5.071 40.437 -5.643 1.00 25.00 H new ATOM 0 HG2 PRO A 56 6.917 42.727 -6.352 1.00 25.00 H new ATOM 0 HG3 PRO A 56 7.265 41.308 -5.384 1.00 25.00 H new ATOM 0 HD2 PRO A 56 7.905 41.437 -8.054 1.00 25.00 H new ATOM 0 HD3 PRO A 56 7.519 39.920 -7.268 1.00 25.00 H new ATOM 814 N ARG A 57 5.084 43.353 -9.029 1.00 25.00 N ATOM 815 CA ARG A 57 4.937 44.729 -9.495 1.00 25.00 C ATOM 816 C ARG A 57 4.408 44.765 -10.908 1.00 25.00 C ATOM 817 O ARG A 57 3.747 45.765 -11.245 1.00 25.00 O ATOM 818 CB ARG A 57 6.290 45.443 -9.462 1.00 25.00 C ATOM 819 CG ARG A 57 6.848 45.671 -8.067 1.00 25.00 C ATOM 820 CD ARG A 57 6.133 46.811 -7.346 1.00 25.00 C ATOM 821 NE ARG A 57 5.094 46.342 -6.408 1.00 25.00 N ATOM 822 CZ ARG A 57 3.781 46.506 -6.556 1.00 25.00 C ATOM 823 NH1 ARG A 57 3.250 47.112 -7.589 1.00 25.00 N ATOM 824 NH2 ARG A 57 2.985 46.050 -5.631 1.00 25.00 N ATOM 825 OXT ARG A 57 4.711 43.829 -11.664 1.00 25.00 O ATOM 0 H ARG A 57 5.724 42.794 -9.593 1.00 25.00 H new ATOM 0 HA ARG A 57 4.232 45.231 -8.833 1.00 25.00 H new ATOM 0 HB2 ARG A 57 7.009 44.859 -10.036 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.190 46.407 -9.962 1.00 25.00 H new ATOM 0 HG2 ARG A 57 6.751 44.755 -7.483 1.00 25.00 H new ATOM 0 HG3 ARG A 57 7.913 45.895 -8.134 1.00 25.00 H new ATOM 0 HD2 ARG A 57 6.866 47.404 -6.799 1.00 25.00 H new ATOM 0 HD3 ARG A 57 5.677 47.470 -8.084 1.00 25.00 H new ATOM 0 HE ARG A 57 5.410 45.849 -5.573 1.00 25.00 H new ATOM 0 HH11 ARG A 57 3.849 47.483 -8.326 1.00 25.00 H new ATOM 0 HH12 ARG A 57 2.237 47.212 -7.656 1.00 25.00 H new ATOM 0 HH21 ARG A 57 3.371 45.578 -4.813 1.00 25.00 H new ATOM 0 HH22 ARG A 57 1.976 46.165 -5.724 1.00 25.00 H new TER 839 ARG A 57