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= 0.731 K(o=1.6,f=-3.4) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 168:sc= 0.83 (180deg=0) 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= 0.0239 USER MOD Set 3.1: A 16 ASN : amide:sc= 0.509 K(o=0.18,f=-7.4!) USER MOD Set 3.2: A 22 SER OG : rot -157:sc= -0.33 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.155 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00532 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 7 GLN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= 0.925 (180deg=0.49) USER MOD Single : A 14 TYR OH : rot 10:sc= 1.26 USER MOD Single : A 21 SER OG : rot 62:sc= 0.245 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0069 X(o=-0.0069,f=-0.072) USER MOD Single : A 34 GLN : amide:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.038 K(o=-0.038,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.553 -6.355 -5.879 1.00 25.00 N ATOM 2 CA GLY A 1 2.559 -5.546 -6.619 1.00 25.00 C ATOM 3 C GLY A 1 3.024 -4.116 -6.791 1.00 25.00 C ATOM 4 O GLY A 1 4.160 -3.830 -6.444 1.00 25.00 O ATOM 0 H1 GLY A 1 3.844 -7.166 -6.462 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.384 -5.769 -5.661 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.130 -6.699 -4.993 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.381 -5.992 -7.598 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.608 -5.559 -6.086 1.00 25.00 H new ATOM 10 N SER A 2 2.175 -3.222 -7.287 1.00 25.00 N ATOM 11 CA SER A 2 2.536 -1.817 -7.467 1.00 25.00 C ATOM 12 C SER A 2 1.254 -0.993 -7.360 1.00 25.00 C ATOM 13 O SER A 2 0.187 -1.479 -7.765 1.00 25.00 O ATOM 14 CB SER A 2 3.171 -1.635 -8.858 1.00 25.00 C ATOM 15 OG SER A 2 3.491 -0.270 -9.089 1.00 25.00 O ATOM 0 H SER A 2 1.223 -3.447 -7.575 1.00 25.00 H new ATOM 0 HA SER A 2 3.253 -1.494 -6.712 1.00 25.00 H new ATOM 0 HB2 SER A 2 4.072 -2.243 -8.934 1.00 25.00 H new ATOM 0 HB3 SER A 2 2.483 -1.988 -9.626 1.00 25.00 H new ATOM 0 HG SER A 2 3.895 -0.174 -9.977 1.00 25.00 H new ATOM 21 N PRO A 3 1.310 0.223 -6.774 1.00 25.00 N ATOM 22 CA PRO A 3 0.052 0.967 -6.670 1.00 25.00 C ATOM 23 C PRO A 3 -0.447 1.491 -8.021 1.00 25.00 C ATOM 24 O PRO A 3 0.342 1.965 -8.836 1.00 25.00 O ATOM 25 CB PRO A 3 0.408 2.113 -5.726 1.00 25.00 C ATOM 26 CG PRO A 3 1.851 2.367 -5.991 1.00 25.00 C ATOM 27 CD PRO A 3 2.443 1.000 -6.216 1.00 25.00 C ATOM 0 HA PRO A 3 -0.767 0.342 -6.313 1.00 25.00 H new ATOM 0 HB2 PRO A 3 -0.196 2.998 -5.928 1.00 25.00 H new ATOM 0 HB3 PRO A 3 0.236 1.840 -4.685 1.00 25.00 H new ATOM 0 HG2 PRO A 3 1.987 3.006 -6.863 1.00 25.00 H new ATOM 0 HG3 PRO A 3 2.326 2.871 -5.149 1.00 25.00 H new ATOM 0 HD2 PRO A 3 3.285 1.036 -6.907 1.00 25.00 H new ATOM 0 HD3 PRO A 3 2.811 0.564 -5.287 1.00 25.00 H new ATOM 35 N THR A 4 -1.747 1.416 -8.268 1.00 25.00 N ATOM 36 CA THR A 4 -2.336 1.877 -9.534 1.00 25.00 C ATOM 37 C THR A 4 -2.570 3.399 -9.513 1.00 25.00 C ATOM 38 O THR A 4 -3.112 3.980 -10.448 1.00 25.00 O ATOM 39 CB THR A 4 -3.657 1.162 -9.798 1.00 25.00 C ATOM 40 OG1 THR A 4 -4.490 1.264 -8.638 1.00 25.00 O ATOM 41 CG2 THR A 4 -3.431 -0.325 -10.083 1.00 25.00 C ATOM 0 H THR A 4 -2.426 1.038 -7.607 1.00 25.00 H new ATOM 0 HA THR A 4 -1.633 1.642 -10.333 1.00 25.00 H new ATOM 0 HB THR A 4 -4.126 1.630 -10.663 1.00 25.00 H new ATOM 0 HG1 THR A 4 -5.341 0.807 -8.805 1.00 25.00 H new ATOM 0 HG21 THR A 4 -4.390 -0.810 -10.268 1.00 25.00 H new ATOM 0 HG22 THR A 4 -2.794 -0.435 -10.961 1.00 25.00 H new ATOM 0 HG23 THR A 4 -2.948 -0.791 -9.224 1.00 25.00 H new ATOM 49 N PHE A 5 -2.077 4.031 -8.452 1.00 25.00 N ATOM 50 CA PHE A 5 -2.153 5.475 -8.252 1.00 25.00 C ATOM 51 C PHE A 5 -1.733 6.294 -9.478 1.00 25.00 C ATOM 52 O PHE A 5 -2.494 7.138 -9.932 1.00 25.00 O ATOM 53 CB PHE A 5 -1.267 5.805 -7.051 1.00 25.00 C ATOM 54 CG PHE A 5 -1.250 7.261 -6.670 1.00 25.00 C ATOM 55 CD1 PHE A 5 -0.236 8.102 -7.156 1.00 25.00 C ATOM 56 CD2 PHE A 5 -2.199 7.790 -5.772 1.00 25.00 C ATOM 57 CE1 PHE A 5 -0.130 9.439 -6.728 1.00 25.00 C ATOM 58 CE2 PHE A 5 -2.120 9.141 -5.350 1.00 25.00 C ATOM 59 CZ PHE A 5 -1.087 9.960 -5.826 1.00 25.00 C ATOM 0 H PHE A 5 -1.604 3.544 -7.691 1.00 25.00 H new ATOM 0 HA PHE A 5 -3.193 5.750 -8.079 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -1.606 5.222 -6.194 1.00 25.00 H new ATOM 0 HB3 PHE A 5 -0.247 5.488 -7.269 1.00 25.00 H new ATOM 0 HD1 PHE A 5 0.475 7.716 -7.871 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -2.994 7.160 -5.402 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.676 10.062 -7.086 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -2.854 9.538 -4.664 1.00 25.00 H new ATOM 0 HZ PHE A 5 -1.022 10.989 -5.504 1.00 25.00 H new ATOM 69 N CYS A 6 -0.552 6.030 -10.023 1.00 25.00 N ATOM 70 CA CYS A 6 -0.072 6.758 -11.209 1.00 25.00 C ATOM 71 C CYS A 6 -0.008 5.878 -12.461 1.00 25.00 C ATOM 72 O CYS A 6 0.276 6.349 -13.551 1.00 25.00 O ATOM 73 CB CYS A 6 1.289 7.411 -10.922 1.00 25.00 C ATOM 74 SG CYS A 6 2.770 6.411 -11.280 1.00 25.00 S ATOM 0 H CYS A 6 0.094 5.323 -9.671 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.802 7.539 -11.421 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.353 8.332 -11.501 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.316 7.693 -9.870 1.00 25.00 H new ATOM 79 N GLN A 7 -0.337 4.606 -12.340 1.00 25.00 N ATOM 80 CA GLN A 7 -0.378 3.736 -13.499 1.00 25.00 C ATOM 81 C GLN A 7 -1.506 4.182 -14.415 1.00 25.00 C ATOM 82 O GLN A 7 -2.576 4.565 -13.952 1.00 25.00 O ATOM 83 CB GLN A 7 -0.589 2.317 -13.037 1.00 25.00 C ATOM 84 CG GLN A 7 0.639 1.702 -12.330 1.00 25.00 C ATOM 85 CD GLN A 7 0.424 0.232 -12.004 1.00 25.00 C ATOM 86 OE1 GLN A 7 0.146 -0.571 -12.868 1.00 25.00 O ATOM 87 NE2 GLN A 7 0.516 -0.112 -10.763 1.00 25.00 N ATOM 0 H GLN A 7 -0.578 4.155 -11.458 1.00 25.00 H new ATOM 0 HA GLN A 7 0.560 3.789 -14.052 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -1.440 2.289 -12.356 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -0.848 1.700 -13.897 1.00 25.00 H new ATOM 0 HG2 GLN A 7 1.517 1.809 -12.967 1.00 25.00 H new ATOM 0 HG3 GLN A 7 0.843 2.252 -11.411 1.00 25.00 H new ATOM 0 HE21 GLN A 7 0.752 0.585 -10.057 1.00 25.00 H new ATOM 0 HE22 GLN A 7 0.353 -1.081 -10.489 1.00 25.00 H new ATOM 96 N GLY A 8 -1.250 4.179 -15.711 1.00 25.00 N ATOM 97 CA GLY A 8 -2.242 4.617 -16.670 1.00 25.00 C ATOM 98 C GLY A 8 -2.294 6.132 -16.830 1.00 25.00 C ATOM 99 O GLY A 8 -3.150 6.661 -17.566 1.00 25.00 O ATOM 0 H GLY A 8 -0.365 3.879 -16.120 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -2.028 4.163 -17.638 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -3.223 4.257 -16.359 1.00 25.00 H new ATOM 103 N LYS A 9 -1.397 6.836 -16.157 1.00 25.00 N ATOM 104 CA LYS A 9 -1.314 8.281 -16.257 1.00 25.00 C ATOM 105 C LYS A 9 0.011 8.579 -16.917 1.00 25.00 C ATOM 106 O LYS A 9 0.907 7.743 -16.903 1.00 25.00 O ATOM 107 CB LYS A 9 -1.385 8.932 -14.877 1.00 25.00 C ATOM 108 CG LYS A 9 -2.781 9.435 -14.576 1.00 25.00 C ATOM 109 CD LYS A 9 -3.776 8.317 -14.252 1.00 25.00 C ATOM 110 CE LYS A 9 -3.478 7.668 -12.910 1.00 25.00 C ATOM 111 NZ LYS A 9 -4.309 6.432 -12.635 1.00 25.00 N ATOM 0 H LYS A 9 -0.709 6.421 -15.528 1.00 25.00 H new ATOM 0 HA LYS A 9 -2.148 8.682 -16.834 1.00 25.00 H new ATOM 0 HB2 LYS A 9 -1.084 8.211 -14.117 1.00 25.00 H new ATOM 0 HB3 LYS A 9 -0.679 9.761 -14.827 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -2.736 10.126 -13.734 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -3.148 10.000 -15.433 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -4.788 8.722 -14.243 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -3.742 7.561 -15.037 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -2.422 7.401 -12.872 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -3.652 8.396 -12.118 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -4.401 6.297 -11.608 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -5.253 6.548 -13.055 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -3.844 5.601 -13.053 1.00 25.00 H new ATOM 125 N ALA A 10 0.101 9.728 -17.567 1.00 25.00 N ATOM 126 CA ALA A 10 1.325 10.097 -18.280 1.00 25.00 C ATOM 127 C ALA A 10 2.454 10.318 -17.264 1.00 25.00 C ATOM 128 O ALA A 10 2.213 10.732 -16.125 1.00 25.00 O ATOM 129 CB ALA A 10 1.092 11.361 -19.103 1.00 25.00 C ATOM 0 H ALA A 10 -0.648 10.419 -17.619 1.00 25.00 H new ATOM 0 HA ALA A 10 1.608 9.294 -18.960 1.00 25.00 H new ATOM 0 HB1 ALA A 10 2.009 11.627 -19.629 1.00 25.00 H new ATOM 0 HB2 ALA A 10 0.297 11.182 -19.827 1.00 25.00 H new ATOM 0 HB3 ALA A 10 0.804 12.178 -18.441 1.00 25.00 H new ATOM 135 N ASP A 11 3.677 10.087 -17.692 1.00 25.00 N ATOM 136 CA ASP A 11 4.847 10.356 -16.873 1.00 25.00 C ATOM 137 C ASP A 11 4.877 11.862 -16.626 1.00 25.00 C ATOM 138 O ASP A 11 4.681 12.653 -17.559 1.00 25.00 O ATOM 139 CB ASP A 11 6.141 9.914 -17.579 1.00 25.00 C ATOM 140 CG ASP A 11 6.238 8.404 -17.746 1.00 25.00 C ATOM 141 OD1 ASP A 11 7.212 7.807 -17.221 1.00 25.00 O ATOM 142 OD2 ASP A 11 5.354 7.806 -18.389 1.00 25.00 O ATOM 0 H ASP A 11 3.891 9.708 -18.615 1.00 25.00 H new ATOM 0 HA ASP A 11 4.787 9.798 -15.939 1.00 25.00 H new ATOM 0 HB2 ASP A 11 6.194 10.387 -18.560 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.000 10.267 -17.008 1.00 25.00 H new ATOM 147 N GLY A 12 5.060 12.269 -15.375 1.00 25.00 N ATOM 148 CA GLY A 12 5.001 13.686 -15.043 1.00 25.00 C ATOM 149 C GLY A 12 4.721 13.880 -13.563 1.00 25.00 C ATOM 150 O GLY A 12 4.638 12.891 -12.809 1.00 25.00 O ATOM 0 H GLY A 12 5.247 11.649 -14.587 1.00 25.00 H new ATOM 0 HA2 GLY A 12 5.944 14.166 -15.306 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.222 14.170 -15.632 1.00 25.00 H new ATOM 154 N LEU A 13 4.590 15.128 -13.139 1.00 25.00 N ATOM 155 CA LEU A 13 4.355 15.441 -11.729 1.00 25.00 C ATOM 156 C LEU A 13 2.861 15.661 -11.468 1.00 25.00 C ATOM 157 O LEU A 13 2.142 16.163 -12.323 1.00 25.00 O ATOM 158 CB LEU A 13 5.103 16.714 -11.308 1.00 25.00 C ATOM 159 CG LEU A 13 6.615 16.828 -11.549 1.00 25.00 C ATOM 160 CD1 LEU A 13 7.098 18.163 -10.971 1.00 25.00 C ATOM 161 CD2 LEU A 13 7.388 15.692 -10.922 1.00 25.00 C ATOM 0 H LEU A 13 4.642 15.944 -13.748 1.00 25.00 H new ATOM 0 HA LEU A 13 4.720 14.593 -11.149 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.629 17.553 -11.818 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.933 16.852 -10.240 1.00 25.00 H new ATOM 0 HG LEU A 13 6.794 16.778 -12.623 1.00 25.00 H new ATOM 0 HD11 LEU A 13 8.171 18.262 -11.133 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.579 18.983 -11.467 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.888 18.194 -9.902 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.452 15.821 -11.122 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.220 15.688 -9.845 1.00 25.00 H new ATOM 0 HD23 LEU A 13 7.052 14.746 -11.345 1.00 25.00 H new ATOM 173 N TYR A 14 2.410 15.306 -10.273 1.00 25.00 N ATOM 174 CA TYR A 14 1.005 15.473 -9.897 1.00 25.00 C ATOM 175 C TYR A 14 0.931 16.092 -8.493 1.00 25.00 C ATOM 176 O TYR A 14 1.830 15.881 -7.672 1.00 25.00 O ATOM 177 CB TYR A 14 0.280 14.113 -9.968 1.00 25.00 C ATOM 178 CG TYR A 14 0.196 13.583 -11.390 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.236 12.789 -11.926 1.00 25.00 C ATOM 180 CD2 TYR A 14 -0.894 13.888 -12.225 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.198 12.328 -13.273 1.00 25.00 C ATOM 182 CE2 TYR A 14 -0.931 13.424 -13.577 1.00 25.00 C ATOM 183 CZ TYR A 14 0.109 12.657 -14.079 1.00 25.00 C ATOM 184 OH TYR A 14 0.080 12.235 -15.377 1.00 25.00 O ATOM 0 H TYR A 14 2.995 14.899 -9.543 1.00 25.00 H new ATOM 0 HA TYR A 14 0.503 16.147 -10.592 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.804 13.390 -9.343 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.726 14.217 -9.560 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.077 12.527 -11.301 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.712 14.479 -11.841 1.00 25.00 H new ATOM 0 HE1 TYR A 14 2.006 11.729 -13.667 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -1.771 13.672 -14.209 1.00 25.00 H new ATOM 0 HH TYR A 14 0.805 11.594 -15.529 1.00 25.00 H new ATOM 194 N PRO A 15 -0.102 16.928 -8.238 1.00 25.00 N ATOM 195 CA PRO A 15 -0.097 17.654 -6.971 1.00 25.00 C ATOM 196 C PRO A 15 -0.368 16.789 -5.754 1.00 25.00 C ATOM 197 O PRO A 15 -1.114 15.802 -5.821 1.00 25.00 O ATOM 198 CB PRO A 15 -1.236 18.665 -7.164 1.00 25.00 C ATOM 199 CG PRO A 15 -2.158 17.995 -8.119 1.00 25.00 C ATOM 200 CD PRO A 15 -1.257 17.317 -9.074 1.00 25.00 C ATOM 0 HA PRO A 15 0.882 18.087 -6.768 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -1.734 18.890 -6.221 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -0.867 19.610 -7.563 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -2.809 17.283 -7.612 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -2.803 18.715 -8.622 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -1.734 16.449 -9.529 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -0.960 17.980 -9.886 1.00 25.00 H new ATOM 208 N ASN A 16 0.209 17.178 -4.627 1.00 25.00 N ATOM 209 CA ASN A 16 -0.055 16.501 -3.362 1.00 25.00 C ATOM 210 C ASN A 16 -1.156 17.305 -2.663 1.00 25.00 C ATOM 211 O ASN A 16 -1.047 18.519 -2.572 1.00 25.00 O ATOM 212 CB ASN A 16 1.222 16.420 -2.526 1.00 25.00 C ATOM 213 CG ASN A 16 1.072 15.510 -1.328 1.00 25.00 C ATOM 214 OD1 ASN A 16 0.119 15.623 -0.567 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.992 14.603 -1.166 1.00 25.00 N ATOM 0 H ASN A 16 0.863 17.958 -4.560 1.00 25.00 H new ATOM 0 HA ASN A 16 -0.382 15.472 -3.512 1.00 25.00 H new ATOM 0 HB2 ASN A 16 2.040 16.061 -3.151 1.00 25.00 H new ATOM 0 HB3 ASN A 16 1.495 17.419 -2.187 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.935 13.953 -0.382 1.00 25.00 H new ATOM 0 HD22 ASN A 16 2.770 14.543 -1.823 1.00 25.00 H new ATOM 222 N PRO A 17 -2.236 16.653 -2.194 1.00 25.00 N ATOM 223 CA PRO A 17 -3.312 17.415 -1.542 1.00 25.00 C ATOM 224 C PRO A 17 -3.047 17.780 -0.068 1.00 25.00 C ATOM 225 O PRO A 17 -3.744 18.605 0.490 1.00 25.00 O ATOM 226 CB PRO A 17 -4.486 16.448 -1.618 1.00 25.00 C ATOM 227 CG PRO A 17 -3.839 15.111 -1.446 1.00 25.00 C ATOM 228 CD PRO A 17 -2.574 15.220 -2.267 1.00 25.00 C ATOM 0 HA PRO A 17 -3.452 18.380 -2.030 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -5.220 16.644 -0.836 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -5.008 16.523 -2.572 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -3.620 14.903 -0.399 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -4.481 14.306 -1.804 1.00 25.00 H new ATOM 0 HD2 PRO A 17 -1.777 14.599 -1.859 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -2.735 14.898 -3.296 1.00 25.00 H new ATOM 236 N ARG A 18 -2.090 17.119 0.569 1.00 25.00 N ATOM 237 CA ARG A 18 -1.789 17.332 1.989 1.00 25.00 C ATOM 238 C ARG A 18 -0.701 18.379 2.170 1.00 25.00 C ATOM 239 O ARG A 18 -0.751 19.180 3.092 1.00 25.00 O ATOM 240 CB ARG A 18 -1.330 16.028 2.641 1.00 25.00 C ATOM 241 CG ARG A 18 -2.385 14.940 2.738 1.00 25.00 C ATOM 242 CD ARG A 18 -1.780 13.672 3.305 1.00 25.00 C ATOM 243 NE ARG A 18 -2.798 12.633 3.537 1.00 25.00 N ATOM 244 CZ ARG A 18 -2.594 11.477 4.165 1.00 25.00 C ATOM 245 NH1 ARG A 18 -3.603 10.664 4.344 1.00 25.00 N ATOM 246 NH2 ARG A 18 -1.412 11.134 4.623 1.00 25.00 N ATOM 0 H ARG A 18 -1.498 16.419 0.122 1.00 25.00 H new ATOM 0 HA ARG A 18 -2.704 17.682 2.466 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -0.482 15.639 2.077 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -0.970 16.251 3.645 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -3.206 15.275 3.372 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -2.805 14.742 1.752 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -1.024 13.292 2.618 1.00 25.00 H new ATOM 0 HD3 ARG A 18 -1.273 13.900 4.243 1.00 25.00 H new ATOM 0 HE ARG A 18 -3.739 12.815 3.187 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -4.530 10.919 4.004 1.00 25.00 H new ATOM 0 HH12 ARG A 18 -3.463 9.775 4.823 1.00 25.00 H new ATOM 0 HH21 ARG A 18 -0.617 11.761 4.502 1.00 25.00 H new ATOM 0 HH22 ARG A 18 -1.289 10.241 5.100 1.00 25.00 H new ATOM 260 N GLU A 19 0.282 18.341 1.296 1.00 25.00 N ATOM 261 CA GLU A 19 1.416 19.255 1.382 1.00 25.00 C ATOM 262 C GLU A 19 1.369 20.246 0.238 1.00 25.00 C ATOM 263 O GLU A 19 0.595 20.112 -0.695 1.00 25.00 O ATOM 264 CB GLU A 19 2.737 18.495 1.319 1.00 25.00 C ATOM 265 CG GLU A 19 3.044 17.667 2.571 1.00 25.00 C ATOM 266 CD GLU A 19 2.425 16.297 2.528 1.00 25.00 C ATOM 267 OE1 GLU A 19 1.704 15.937 3.482 1.00 25.00 O ATOM 268 OE2 GLU A 19 2.703 15.556 1.566 1.00 25.00 O ATOM 0 H GLU A 19 0.325 17.688 0.514 1.00 25.00 H new ATOM 0 HA GLU A 19 1.352 19.779 2.336 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.722 17.833 0.453 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.546 19.208 1.161 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.124 17.570 2.681 1.00 25.00 H new ATOM 0 HG3 GLU A 19 2.680 18.198 3.451 1.00 25.00 H new ATOM 275 N ARG A 20 2.251 21.239 0.300 1.00 25.00 N ATOM 276 CA ARG A 20 2.384 22.241 -0.769 1.00 25.00 C ATOM 277 C ARG A 20 3.687 22.095 -1.561 1.00 25.00 C ATOM 278 O ARG A 20 3.728 22.305 -2.763 1.00 25.00 O ATOM 279 CB ARG A 20 2.291 23.648 -0.165 1.00 25.00 C ATOM 280 CG ARG A 20 2.105 24.784 -1.172 1.00 25.00 C ATOM 281 CD ARG A 20 0.800 24.612 -1.924 1.00 25.00 C ATOM 282 NE ARG A 20 0.439 25.841 -2.659 1.00 25.00 N ATOM 283 CZ ARG A 20 -0.350 26.806 -2.212 1.00 25.00 C ATOM 284 NH1 ARG A 20 -0.930 26.765 -1.033 1.00 25.00 N ATOM 285 NH2 ARG A 20 -0.568 27.844 -2.972 1.00 25.00 N ATOM 0 H ARG A 20 2.891 21.377 1.082 1.00 25.00 H new ATOM 0 HA ARG A 20 1.568 22.077 -1.473 1.00 25.00 H new ATOM 0 HB2 ARG A 20 1.458 23.669 0.538 1.00 25.00 H new ATOM 0 HB3 ARG A 20 3.198 23.839 0.409 1.00 25.00 H new ATOM 0 HG2 ARG A 20 2.110 25.743 -0.654 1.00 25.00 H new ATOM 0 HG3 ARG A 20 2.938 24.797 -1.874 1.00 25.00 H new ATOM 0 HD2 ARG A 20 0.887 23.780 -2.623 1.00 25.00 H new ATOM 0 HD3 ARG A 20 0.005 24.358 -1.223 1.00 25.00 H new ATOM 0 HE ARG A 20 0.832 25.957 -3.593 1.00 25.00 H new ATOM 0 HH11 ARG A 20 -0.780 25.965 -0.419 1.00 25.00 H new ATOM 0 HH12 ARG A 20 -1.530 27.533 -0.733 1.00 25.00 H new ATOM 0 HH21 ARG A 20 -0.134 27.902 -3.893 1.00 25.00 H new ATOM 0 HH22 ARG A 20 -1.173 28.597 -2.645 1.00 25.00 H new ATOM 299 N SER A 21 4.740 21.733 -0.849 1.00 25.00 N ATOM 300 CA SER A 21 6.074 21.610 -1.433 1.00 25.00 C ATOM 301 C SER A 21 6.329 20.224 -2.045 1.00 25.00 C ATOM 302 O SER A 21 7.168 20.091 -2.927 1.00 25.00 O ATOM 303 CB SER A 21 7.131 21.865 -0.339 1.00 25.00 C ATOM 304 OG SER A 21 8.438 21.605 -0.825 1.00 25.00 O ATOM 0 H SER A 21 4.700 21.516 0.147 1.00 25.00 H new ATOM 0 HA SER A 21 6.143 22.346 -2.234 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.065 22.898 0.002 1.00 25.00 H new ATOM 0 HB3 SER A 21 6.927 21.231 0.524 1.00 25.00 H new ATOM 0 HG SER A 21 8.638 22.213 -1.568 1.00 25.00 H new ATOM 310 N SER A 22 5.654 19.184 -1.571 1.00 25.00 N ATOM 311 CA SER A 22 5.876 17.851 -2.117 1.00 25.00 C ATOM 312 C SER A 22 4.955 17.592 -3.280 1.00 25.00 C ATOM 313 O SER A 22 3.910 18.229 -3.425 1.00 25.00 O ATOM 314 CB SER A 22 5.666 16.771 -1.058 1.00 25.00 C ATOM 315 OG SER A 22 4.291 16.615 -0.778 1.00 25.00 O ATOM 0 H SER A 22 4.961 19.235 -0.824 1.00 25.00 H new ATOM 0 HA SER A 22 6.911 17.810 -2.457 1.00 25.00 H new ATOM 0 HB2 SER A 22 6.082 15.826 -1.407 1.00 25.00 H new ATOM 0 HB3 SER A 22 6.201 17.038 -0.147 1.00 25.00 H new ATOM 0 HG SER A 22 4.181 16.223 0.113 1.00 25.00 H new ATOM 321 N PHE A 23 5.335 16.643 -4.112 1.00 25.00 N ATOM 322 CA PHE A 23 4.541 16.232 -5.250 1.00 25.00 C ATOM 323 C PHE A 23 4.592 14.731 -5.377 1.00 25.00 C ATOM 324 O PHE A 23 5.456 14.059 -4.792 1.00 25.00 O ATOM 325 CB PHE A 23 5.076 16.864 -6.541 1.00 25.00 C ATOM 326 CG PHE A 23 6.549 16.636 -6.770 1.00 25.00 C ATOM 327 CD1 PHE A 23 7.444 17.686 -6.601 1.00 25.00 C ATOM 328 CD2 PHE A 23 7.041 15.388 -7.173 1.00 25.00 C ATOM 329 CE1 PHE A 23 8.836 17.526 -6.812 1.00 25.00 C ATOM 330 CE2 PHE A 23 8.441 15.202 -7.388 1.00 25.00 C ATOM 331 CZ PHE A 23 9.333 16.289 -7.201 1.00 25.00 C ATOM 0 H PHE A 23 6.212 16.131 -4.015 1.00 25.00 H new ATOM 0 HA PHE A 23 3.514 16.563 -5.096 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.520 16.461 -7.388 1.00 25.00 H new ATOM 0 HB3 PHE A 23 4.884 17.937 -6.515 1.00 25.00 H new ATOM 0 HD1 PHE A 23 7.067 18.652 -6.300 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.360 14.563 -7.322 1.00 25.00 H new ATOM 0 HE1 PHE A 23 9.506 18.361 -6.671 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.819 14.237 -7.692 1.00 25.00 H new ATOM 0 HZ PHE A 23 10.393 16.155 -7.360 1.00 25.00 H new ATOM 341 N TYR A 24 3.742 14.216 -6.238 1.00 25.00 N ATOM 342 CA TYR A 24 3.792 12.823 -6.658 1.00 25.00 C ATOM 343 C TYR A 24 4.400 12.907 -8.025 1.00 25.00 C ATOM 344 O TYR A 24 4.242 13.905 -8.710 1.00 25.00 O ATOM 345 CB TYR A 24 2.386 12.244 -6.780 1.00 25.00 C ATOM 346 CG TYR A 24 1.613 12.187 -5.491 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.940 11.239 -4.502 1.00 25.00 C ATOM 348 CD2 TYR A 24 0.536 13.067 -5.238 1.00 25.00 C ATOM 349 CE1 TYR A 24 1.209 11.163 -3.279 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.187 12.986 -4.019 1.00 25.00 C ATOM 351 CZ TYR A 24 0.150 12.033 -3.060 1.00 25.00 C ATOM 352 OH TYR A 24 -0.570 11.975 -1.872 1.00 25.00 O ATOM 0 H TYR A 24 2.990 14.751 -6.672 1.00 25.00 H new ATOM 0 HA TYR A 24 4.340 12.193 -5.958 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.824 12.841 -7.498 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.458 11.236 -7.189 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.760 10.557 -4.673 1.00 25.00 H new ATOM 0 HD2 TYR A 24 0.262 13.806 -5.977 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.478 10.434 -2.529 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.004 13.668 -3.834 1.00 25.00 H new ATOM 0 HH TYR A 24 0.015 11.665 -1.150 1.00 25.00 H new ATOM 362 N SER A 25 5.116 11.880 -8.421 1.00 25.00 N ATOM 363 CA SER A 25 5.726 11.853 -9.739 1.00 25.00 C ATOM 364 C SER A 25 5.574 10.448 -10.264 1.00 25.00 C ATOM 365 O SER A 25 5.678 9.484 -9.495 1.00 25.00 O ATOM 366 CB SER A 25 7.214 12.219 -9.665 1.00 25.00 C ATOM 367 OG SER A 25 7.788 12.198 -10.945 1.00 25.00 O ATOM 0 H SER A 25 5.293 11.051 -7.853 1.00 25.00 H new ATOM 0 HA SER A 25 5.243 12.579 -10.393 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.330 13.209 -9.224 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.736 11.517 -9.014 1.00 25.00 H new ATOM 0 HG SER A 25 8.737 12.435 -10.882 1.00 25.00 H new ATOM 373 N CYS A 26 5.297 10.323 -11.552 1.00 25.00 N ATOM 374 CA CYS A 26 5.179 9.009 -12.176 1.00 25.00 C ATOM 375 C CYS A 26 6.281 8.919 -13.219 1.00 25.00 C ATOM 376 O CYS A 26 6.360 9.780 -14.094 1.00 25.00 O ATOM 377 CB CYS A 26 3.801 8.832 -12.826 1.00 25.00 C ATOM 378 SG CYS A 26 3.377 7.079 -13.116 1.00 25.00 S ATOM 0 H CYS A 26 5.150 11.109 -12.185 1.00 25.00 H new ATOM 0 HA CYS A 26 5.280 8.218 -11.433 1.00 25.00 H new ATOM 0 HB2 CYS A 26 3.042 9.284 -12.187 1.00 25.00 H new ATOM 0 HB3 CYS A 26 3.780 9.368 -13.775 1.00 25.00 H new ATOM 383 N ALA A 27 7.133 7.921 -13.095 1.00 25.00 N ATOM 384 CA ALA A 27 8.219 7.719 -14.039 1.00 25.00 C ATOM 385 C ALA A 27 8.384 6.214 -14.290 1.00 25.00 C ATOM 386 O ALA A 27 8.576 5.447 -13.348 1.00 25.00 O ATOM 387 CB ALA A 27 9.526 8.326 -13.481 1.00 25.00 C ATOM 0 H ALA A 27 7.095 7.231 -12.344 1.00 25.00 H new ATOM 0 HA ALA A 27 7.990 8.218 -14.981 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.334 8.169 -14.196 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.389 9.395 -13.316 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.778 7.842 -12.537 1.00 25.00 H new ATOM 393 N ALA A 28 8.232 5.803 -15.544 1.00 25.00 N ATOM 394 CA ALA A 28 8.304 4.386 -15.943 1.00 25.00 C ATOM 395 C ALA A 28 7.305 3.514 -15.159 1.00 25.00 C ATOM 396 O ALA A 28 7.575 2.355 -14.824 1.00 25.00 O ATOM 397 CB ALA A 28 9.758 3.850 -15.796 1.00 25.00 C ATOM 0 H ALA A 28 8.054 6.439 -16.322 1.00 25.00 H new ATOM 0 HA ALA A 28 8.020 4.325 -16.993 1.00 25.00 H new ATOM 0 HB1 ALA A 28 9.792 2.802 -16.095 1.00 25.00 H new ATOM 0 HB2 ALA A 28 10.426 4.431 -16.432 1.00 25.00 H new ATOM 0 HB3 ALA A 28 10.076 3.941 -14.757 1.00 25.00 H new ATOM 403 N GLY A 29 6.147 4.087 -14.856 1.00 25.00 N ATOM 404 CA GLY A 29 5.098 3.380 -14.144 1.00 25.00 C ATOM 405 C GLY A 29 5.326 3.257 -12.646 1.00 25.00 C ATOM 406 O GLY A 29 4.550 2.588 -11.957 1.00 25.00 O ATOM 0 H GLY A 29 5.912 5.050 -15.097 1.00 25.00 H new ATOM 0 HA2 GLY A 29 4.151 3.893 -14.314 1.00 25.00 H new ATOM 0 HA3 GLY A 29 4.999 2.380 -14.567 1.00 25.00 H new ATOM 410 N ARG A 30 6.390 3.851 -12.130 1.00 25.00 N ATOM 411 CA ARG A 30 6.723 3.756 -10.697 1.00 25.00 C ATOM 412 C ARG A 30 6.305 5.049 -10.032 1.00 25.00 C ATOM 413 O ARG A 30 6.502 6.122 -10.586 1.00 25.00 O ATOM 414 CB ARG A 30 8.223 3.519 -10.492 1.00 25.00 C ATOM 415 CG ARG A 30 8.806 2.296 -11.247 1.00 25.00 C ATOM 416 CD ARG A 30 8.138 0.992 -10.829 1.00 25.00 C ATOM 417 NE ARG A 30 8.705 -0.176 -11.520 1.00 25.00 N ATOM 418 CZ ARG A 30 9.687 -0.949 -11.057 1.00 25.00 C ATOM 419 NH1 ARG A 30 10.074 -1.972 -11.770 1.00 25.00 N ATOM 420 NH2 ARG A 30 10.299 -0.708 -9.928 1.00 25.00 N ATOM 0 H ARG A 30 7.047 4.409 -12.676 1.00 25.00 H new ATOM 0 HA ARG A 30 6.196 2.910 -10.256 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.762 4.412 -10.808 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.413 3.392 -9.426 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.680 2.439 -12.320 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.877 2.231 -11.058 1.00 25.00 H new ATOM 0 HD2 ARG A 30 8.245 0.861 -9.752 1.00 25.00 H new ATOM 0 HD3 ARG A 30 7.070 1.051 -11.038 1.00 25.00 H new ATOM 0 HE ARG A 30 8.313 -0.415 -12.431 1.00 25.00 H new ATOM 0 HH11 ARG A 30 9.626 -2.168 -12.665 1.00 25.00 H new ATOM 0 HH12 ARG A 30 10.824 -2.575 -11.432 1.00 25.00 H new ATOM 0 HH21 ARG A 30 10.030 0.098 -9.364 1.00 25.00 H new ATOM 0 HH22 ARG A 30 11.046 -1.326 -9.611 1.00 25.00 H new ATOM 434 N LEU A 31 5.726 4.941 -8.839 1.00 25.00 N ATOM 435 CA LEU A 31 5.311 6.111 -8.086 1.00 25.00 C ATOM 436 C LEU A 31 6.499 6.617 -7.254 1.00 25.00 C ATOM 437 O LEU A 31 6.990 5.911 -6.367 1.00 25.00 O ATOM 438 CB LEU A 31 4.134 5.728 -7.164 1.00 25.00 C ATOM 439 CG LEU A 31 3.093 6.807 -6.787 1.00 25.00 C ATOM 440 CD1 LEU A 31 2.441 6.412 -5.457 1.00 25.00 C ATOM 441 CD2 LEU A 31 3.617 8.230 -6.634 1.00 25.00 C ATOM 0 H LEU A 31 5.535 4.052 -8.376 1.00 25.00 H new ATOM 0 HA LEU A 31 4.987 6.902 -8.763 1.00 25.00 H new ATOM 0 HB2 LEU A 31 3.598 4.906 -7.639 1.00 25.00 H new ATOM 0 HB3 LEU A 31 4.556 5.340 -6.237 1.00 25.00 H new ATOM 0 HG LEU A 31 2.403 6.833 -7.631 1.00 25.00 H new ATOM 0 HD11 LEU A 31 1.703 7.164 -5.176 1.00 25.00 H new ATOM 0 HD12 LEU A 31 1.951 5.445 -5.565 1.00 25.00 H new ATOM 0 HD13 LEU A 31 3.205 6.347 -4.682 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.794 8.894 -6.369 1.00 25.00 H new ATOM 0 HD22 LEU A 31 4.373 8.257 -5.849 1.00 25.00 H new ATOM 0 HD23 LEU A 31 4.059 8.558 -7.575 1.00 25.00 H new ATOM 453 N PHE A 32 6.917 7.842 -7.507 1.00 25.00 N ATOM 454 CA PHE A 32 7.911 8.503 -6.700 1.00 25.00 C ATOM 455 C PHE A 32 7.187 9.594 -5.943 1.00 25.00 C ATOM 456 O PHE A 32 6.260 10.206 -6.475 1.00 25.00 O ATOM 457 CB PHE A 32 9.025 9.105 -7.562 1.00 25.00 C ATOM 458 CG PHE A 32 9.951 8.072 -8.164 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.581 7.391 -9.327 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.199 7.783 -7.562 1.00 25.00 C ATOM 461 CE1 PHE A 32 10.433 6.453 -9.915 1.00 25.00 C ATOM 462 CE2 PHE A 32 12.062 6.808 -8.122 1.00 25.00 C ATOM 463 CZ PHE A 32 11.683 6.145 -9.302 1.00 25.00 C ATOM 0 H PHE A 32 6.571 8.406 -8.284 1.00 25.00 H new ATOM 0 HA PHE A 32 8.389 7.793 -6.026 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.576 9.690 -8.365 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.610 9.795 -6.954 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.621 7.593 -9.778 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.496 8.310 -6.668 1.00 25.00 H new ATOM 0 HE1 PHE A 32 10.145 5.962 -10.833 1.00 25.00 H new ATOM 0 HE2 PHE A 32 13.003 6.576 -7.646 1.00 25.00 H new ATOM 0 HZ PHE A 32 12.336 5.406 -9.742 1.00 25.00 H new ATOM 473 N GLN A 33 7.587 9.835 -4.706 1.00 25.00 N ATOM 474 CA GLN A 33 6.999 10.914 -3.906 1.00 25.00 C ATOM 475 C GLN A 33 8.193 11.723 -3.382 1.00 25.00 C ATOM 476 O GLN A 33 9.055 11.159 -2.703 1.00 25.00 O ATOM 477 CB GLN A 33 6.156 10.312 -2.762 1.00 25.00 C ATOM 478 CG GLN A 33 5.025 9.389 -3.240 1.00 25.00 C ATOM 479 CD GLN A 33 4.209 8.847 -2.100 1.00 25.00 C ATOM 480 OE1 GLN A 33 3.507 9.574 -1.434 1.00 25.00 O ATOM 481 NE2 GLN A 33 4.290 7.557 -1.890 1.00 25.00 N ATOM 0 H GLN A 33 8.315 9.303 -4.228 1.00 25.00 H new ATOM 0 HA GLN A 33 6.325 11.552 -4.478 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.812 9.751 -2.097 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.726 11.124 -2.175 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.374 9.938 -3.920 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.450 8.560 -3.805 1.00 25.00 H new ATOM 0 HE21 GLN A 33 4.895 6.982 -2.476 1.00 25.00 H new ATOM 0 HE22 GLN A 33 3.748 7.127 -1.140 1.00 25.00 H new ATOM 490 N GLN A 34 8.312 12.987 -3.766 1.00 25.00 N ATOM 491 CA GLN A 34 9.505 13.784 -3.444 1.00 25.00 C ATOM 492 C GLN A 34 9.122 15.241 -3.193 1.00 25.00 C ATOM 493 O GLN A 34 7.984 15.650 -3.447 1.00 25.00 O ATOM 494 CB GLN A 34 10.517 13.723 -4.607 1.00 25.00 C ATOM 495 CG GLN A 34 11.109 12.332 -4.827 1.00 25.00 C ATOM 496 CD GLN A 34 12.220 12.334 -5.835 1.00 25.00 C ATOM 497 OE1 GLN A 34 13.250 12.927 -5.628 1.00 25.00 O ATOM 498 NE2 GLN A 34 11.994 11.705 -6.946 1.00 25.00 N ATOM 0 H GLN A 34 7.602 13.489 -4.300 1.00 25.00 H new ATOM 0 HA GLN A 34 9.958 13.369 -2.543 1.00 25.00 H new ATOM 0 HB2 GLN A 34 10.025 14.049 -5.524 1.00 25.00 H new ATOM 0 HB3 GLN A 34 11.326 14.427 -4.412 1.00 25.00 H new ATOM 0 HG2 GLN A 34 11.483 11.946 -3.879 1.00 25.00 H new ATOM 0 HG3 GLN A 34 10.323 11.654 -5.159 1.00 25.00 H new ATOM 0 HE21 GLN A 34 11.110 11.215 -7.084 1.00 25.00 H new ATOM 0 HE22 GLN A 34 12.700 11.700 -7.682 1.00 25.00 H new ATOM 507 N SER A 35 10.056 16.018 -2.679 1.00 25.00 N ATOM 508 CA SER A 35 9.827 17.423 -2.342 1.00 25.00 C ATOM 509 C SER A 35 10.534 18.365 -3.329 1.00 25.00 C ATOM 510 O SER A 35 11.525 17.989 -3.956 1.00 25.00 O ATOM 511 CB SER A 35 10.320 17.707 -0.913 1.00 25.00 C ATOM 512 OG SER A 35 11.683 17.355 -0.765 1.00 25.00 O ATOM 0 H SER A 35 11.003 15.697 -2.480 1.00 25.00 H new ATOM 0 HA SER A 35 8.755 17.609 -2.407 1.00 25.00 H new ATOM 0 HB2 SER A 35 10.187 18.764 -0.682 1.00 25.00 H new ATOM 0 HB3 SER A 35 9.717 17.147 -0.199 1.00 25.00 H new ATOM 0 HG SER A 35 11.973 17.547 0.151 1.00 25.00 H new ATOM 518 N CYS A 36 10.043 19.597 -3.405 1.00 25.00 N ATOM 519 CA CYS A 36 10.669 20.660 -4.189 1.00 25.00 C ATOM 520 C CYS A 36 11.071 21.778 -3.210 1.00 25.00 C ATOM 521 O CYS A 36 10.254 22.642 -2.886 1.00 25.00 O ATOM 522 CB CYS A 36 9.679 21.184 -5.233 1.00 25.00 C ATOM 523 SG CYS A 36 10.276 20.944 -6.935 1.00 25.00 S ATOM 0 H CYS A 36 9.194 19.890 -2.922 1.00 25.00 H new ATOM 0 HA CYS A 36 11.548 20.292 -4.719 1.00 25.00 H new ATOM 0 HB2 CYS A 36 8.723 20.675 -5.111 1.00 25.00 H new ATOM 0 HB3 CYS A 36 9.500 22.245 -5.060 1.00 25.00 H new ATOM 528 N PRO A 37 12.288 21.708 -2.626 1.00 25.00 N ATOM 529 CA PRO A 37 12.595 22.638 -1.532 1.00 25.00 C ATOM 530 C PRO A 37 13.142 24.050 -1.862 1.00 25.00 C ATOM 531 O PRO A 37 12.443 25.046 -1.708 1.00 25.00 O ATOM 532 CB PRO A 37 13.598 21.828 -0.702 1.00 25.00 C ATOM 533 CG PRO A 37 14.350 21.011 -1.738 1.00 25.00 C ATOM 534 CD PRO A 37 13.353 20.702 -2.810 1.00 25.00 C ATOM 0 HA PRO A 37 11.664 22.930 -1.046 1.00 25.00 H new ATOM 0 HB2 PRO A 37 14.270 22.478 -0.141 1.00 25.00 H new ATOM 0 HB3 PRO A 37 13.094 21.189 0.022 1.00 25.00 H new ATOM 0 HG2 PRO A 37 15.196 21.570 -2.139 1.00 25.00 H new ATOM 0 HG3 PRO A 37 14.751 20.097 -1.300 1.00 25.00 H new ATOM 0 HD2 PRO A 37 13.801 20.775 -3.801 1.00 25.00 H new ATOM 0 HD3 PRO A 37 12.964 19.689 -2.710 1.00 25.00 H new ATOM 542 N THR A 38 14.420 24.155 -2.187 1.00 25.00 N ATOM 543 CA THR A 38 15.097 25.447 -2.231 1.00 25.00 C ATOM 544 C THR A 38 14.694 26.389 -3.360 1.00 25.00 C ATOM 545 O THR A 38 15.230 26.324 -4.478 1.00 25.00 O ATOM 546 CB THR A 38 16.602 25.198 -2.302 1.00 25.00 C ATOM 547 OG1 THR A 38 16.843 23.874 -2.801 1.00 25.00 O ATOM 548 CG2 THR A 38 17.234 25.310 -0.911 1.00 25.00 C ATOM 0 H THR A 38 15.014 23.360 -2.425 1.00 25.00 H new ATOM 0 HA THR A 38 14.788 25.964 -1.322 1.00 25.00 H new ATOM 0 HB THR A 38 17.043 25.945 -2.962 1.00 25.00 H new ATOM 0 HG1 THR A 38 17.809 23.713 -2.849 1.00 25.00 H new ATOM 0 HG21 THR A 38 18.306 25.129 -0.983 1.00 25.00 H new ATOM 0 HG22 THR A 38 17.060 26.309 -0.512 1.00 25.00 H new ATOM 0 HG23 THR A 38 16.785 24.571 -0.247 1.00 25.00 H new ATOM 556 N GLY A 39 13.784 27.294 -3.035 1.00 25.00 N ATOM 557 CA GLY A 39 13.335 28.301 -3.977 1.00 25.00 C ATOM 558 C GLY A 39 12.383 27.741 -5.019 1.00 25.00 C ATOM 559 O GLY A 39 12.146 28.367 -6.039 1.00 25.00 O ATOM 0 H GLY A 39 13.340 27.349 -2.118 1.00 25.00 H new ATOM 0 HA2 GLY A 39 12.841 29.107 -3.434 1.00 25.00 H new ATOM 0 HA3 GLY A 39 14.200 28.737 -4.477 1.00 25.00 H new ATOM 563 N LEU A 40 11.894 26.539 -4.775 1.00 25.00 N ATOM 564 CA LEU A 40 11.074 25.813 -5.753 1.00 25.00 C ATOM 565 C LEU A 40 9.607 25.764 -5.366 1.00 25.00 C ATOM 566 O LEU A 40 9.250 25.524 -4.208 1.00 25.00 O ATOM 567 CB LEU A 40 11.611 24.385 -5.848 1.00 25.00 C ATOM 568 CG LEU A 40 12.963 24.223 -6.535 1.00 25.00 C ATOM 569 CD1 LEU A 40 13.550 22.857 -6.149 1.00 25.00 C ATOM 570 CD2 LEU A 40 12.842 24.345 -8.049 1.00 25.00 C ATOM 0 H LEU A 40 12.047 26.033 -3.903 1.00 25.00 H new ATOM 0 HA LEU A 40 11.137 26.337 -6.707 1.00 25.00 H new ATOM 0 HB2 LEU A 40 11.687 23.979 -4.839 1.00 25.00 H new ATOM 0 HB3 LEU A 40 10.880 23.778 -6.381 1.00 25.00 H new ATOM 0 HG LEU A 40 13.626 25.022 -6.203 1.00 25.00 H new ATOM 0 HD11 LEU A 40 14.518 22.727 -6.633 1.00 25.00 H new ATOM 0 HD12 LEU A 40 13.676 22.808 -5.067 1.00 25.00 H new ATOM 0 HD13 LEU A 40 12.873 22.066 -6.472 1.00 25.00 H new ATOM 0 HD21 LEU A 40 13.825 24.224 -8.504 1.00 25.00 H new ATOM 0 HD22 LEU A 40 12.171 23.572 -8.424 1.00 25.00 H new ATOM 0 HD23 LEU A 40 12.443 25.327 -8.304 1.00 25.00 H new ATOM 582 N VAL A 41 8.748 25.969 -6.359 1.00 25.00 N ATOM 583 CA VAL A 41 7.298 25.931 -6.164 1.00 25.00 C ATOM 584 C VAL A 41 6.636 25.082 -7.261 1.00 25.00 C ATOM 585 O VAL A 41 7.140 25.010 -8.387 1.00 25.00 O ATOM 586 CB VAL A 41 6.672 27.363 -6.164 1.00 25.00 C ATOM 587 CG1 VAL A 41 7.154 28.147 -4.930 1.00 25.00 C ATOM 588 CG2 VAL A 41 7.059 28.157 -7.416 1.00 25.00 C ATOM 0 H VAL A 41 9.033 26.166 -7.319 1.00 25.00 H new ATOM 0 HA VAL A 41 7.114 25.482 -5.188 1.00 25.00 H new ATOM 0 HB VAL A 41 5.589 27.238 -6.147 1.00 25.00 H new ATOM 0 HG11 VAL A 41 6.713 29.144 -4.937 1.00 25.00 H new ATOM 0 HG12 VAL A 41 6.850 27.623 -4.024 1.00 25.00 H new ATOM 0 HG13 VAL A 41 8.241 28.230 -4.954 1.00 25.00 H new ATOM 0 HG21 VAL A 41 6.603 29.146 -7.375 1.00 25.00 H new ATOM 0 HG22 VAL A 41 8.143 28.259 -7.461 1.00 25.00 H new ATOM 0 HG23 VAL A 41 6.707 27.631 -8.304 1.00 25.00 H new ATOM 598 N PHE A 42 5.537 24.410 -6.929 1.00 25.00 N ATOM 599 CA PHE A 42 4.864 23.530 -7.892 1.00 25.00 C ATOM 600 C PHE A 42 3.792 24.301 -8.676 1.00 25.00 C ATOM 601 O PHE A 42 2.957 25.008 -8.094 1.00 25.00 O ATOM 602 CB PHE A 42 4.239 22.355 -7.174 1.00 25.00 C ATOM 603 CG PHE A 42 3.534 21.428 -8.090 1.00 25.00 C ATOM 604 CD1 PHE A 42 4.268 20.603 -8.971 1.00 25.00 C ATOM 605 CD2 PHE A 42 2.118 21.375 -8.138 1.00 25.00 C ATOM 606 CE1 PHE A 42 3.607 19.746 -9.881 1.00 25.00 C ATOM 607 CE2 PHE A 42 1.461 20.509 -9.046 1.00 25.00 C ATOM 608 CZ PHE A 42 2.222 19.698 -9.912 1.00 25.00 C ATOM 0 H PHE A 42 5.094 24.454 -6.011 1.00 25.00 H new ATOM 0 HA PHE A 42 5.607 23.160 -8.598 1.00 25.00 H new ATOM 0 HB2 PHE A 42 5.015 21.808 -6.639 1.00 25.00 H new ATOM 0 HB3 PHE A 42 3.536 22.724 -6.427 1.00 25.00 H new ATOM 0 HD1 PHE A 42 5.348 20.627 -8.949 1.00 25.00 H new ATOM 0 HD2 PHE A 42 1.536 22.000 -7.477 1.00 25.00 H new ATOM 0 HE1 PHE A 42 4.183 19.127 -10.554 1.00 25.00 H new ATOM 0 HE2 PHE A 42 0.382 20.470 -9.075 1.00 25.00 H new ATOM 0 HZ PHE A 42 1.723 19.035 -10.604 1.00 25.00 H new ATOM 618 N SER A 43 3.774 24.099 -9.978 1.00 25.00 N ATOM 619 CA SER A 43 2.794 24.705 -10.873 1.00 25.00 C ATOM 620 C SER A 43 1.907 23.622 -11.472 1.00 25.00 C ATOM 621 O SER A 43 2.283 22.884 -12.387 1.00 25.00 O ATOM 622 CB SER A 43 3.501 25.457 -12.003 1.00 25.00 C ATOM 623 OG SER A 43 2.555 26.079 -12.859 1.00 25.00 O ATOM 0 H SER A 43 4.448 23.501 -10.457 1.00 25.00 H new ATOM 0 HA SER A 43 2.186 25.406 -10.301 1.00 25.00 H new ATOM 0 HB2 SER A 43 4.169 26.209 -11.584 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.119 24.766 -12.576 1.00 25.00 H new ATOM 0 HG SER A 43 3.025 26.556 -13.575 1.00 25.00 H new ATOM 629 N ASN A 44 0.703 23.518 -10.937 1.00 25.00 N ATOM 630 CA ASN A 44 -0.243 22.471 -11.347 1.00 25.00 C ATOM 631 C ASN A 44 -0.766 22.641 -12.767 1.00 25.00 C ATOM 632 O ASN A 44 -1.175 21.659 -13.396 1.00 25.00 O ATOM 633 CB ASN A 44 -1.423 22.422 -10.371 1.00 25.00 C ATOM 634 CG ASN A 44 -2.325 21.224 -10.602 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.866 20.119 -10.893 1.00 25.00 O ATOM 636 ND2 ASN A 44 -3.598 21.429 -10.450 1.00 25.00 N ATOM 0 H ASN A 44 0.348 24.144 -10.214 1.00 25.00 H new ATOM 0 HA ASN A 44 0.313 21.534 -11.328 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -1.043 22.394 -9.350 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -2.008 23.336 -10.469 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -4.257 20.660 -10.572 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -3.940 22.359 -10.209 1.00 25.00 H new ATOM 643 N SER A 45 -0.747 23.858 -13.275 1.00 25.00 N ATOM 644 CA SER A 45 -1.244 24.141 -14.627 1.00 25.00 C ATOM 645 C SER A 45 -0.399 23.452 -15.694 1.00 25.00 C ATOM 646 O SER A 45 -0.936 23.008 -16.695 1.00 25.00 O ATOM 647 CB SER A 45 -1.252 25.649 -14.870 1.00 25.00 C ATOM 648 OG SER A 45 -0.073 26.232 -14.338 1.00 25.00 O ATOM 0 H SER A 45 -0.394 24.676 -12.778 1.00 25.00 H new ATOM 0 HA SER A 45 -2.259 23.749 -14.698 1.00 25.00 H new ATOM 0 HB2 SER A 45 -1.318 25.853 -15.939 1.00 25.00 H new ATOM 0 HB3 SER A 45 -2.131 26.096 -14.405 1.00 25.00 H new ATOM 0 HG SER A 45 -0.085 27.199 -14.499 1.00 25.00 H new ATOM 654 N CYS A 46 0.912 23.360 -15.465 1.00 25.00 N ATOM 655 CA CYS A 46 1.817 22.729 -16.424 1.00 25.00 C ATOM 656 C CYS A 46 2.402 21.398 -15.936 1.00 25.00 C ATOM 657 O CYS A 46 3.143 20.753 -16.651 1.00 25.00 O ATOM 658 CB CYS A 46 2.947 23.691 -16.762 1.00 25.00 C ATOM 659 SG CYS A 46 4.172 23.870 -15.435 1.00 25.00 S ATOM 0 H CYS A 46 1.369 23.714 -14.625 1.00 25.00 H new ATOM 0 HA CYS A 46 1.223 22.499 -17.309 1.00 25.00 H new ATOM 0 HB2 CYS A 46 3.450 23.344 -17.665 1.00 25.00 H new ATOM 0 HB3 CYS A 46 2.524 24.670 -16.989 1.00 25.00 H new ATOM 664 N LYS A 47 2.060 21.022 -14.706 1.00 25.00 N ATOM 665 CA LYS A 47 2.575 19.804 -14.048 1.00 25.00 C ATOM 666 C LYS A 47 4.108 19.868 -13.879 1.00 25.00 C ATOM 667 O LYS A 47 4.800 18.847 -13.932 1.00 25.00 O ATOM 668 CB LYS A 47 2.179 18.528 -14.811 1.00 25.00 C ATOM 669 CG LYS A 47 0.696 18.379 -15.094 1.00 25.00 C ATOM 670 CD LYS A 47 -0.123 18.293 -13.823 1.00 25.00 C ATOM 671 CE LYS A 47 -1.576 18.137 -14.165 1.00 25.00 C ATOM 672 NZ LYS A 47 -2.382 18.077 -12.911 1.00 25.00 N ATOM 0 H LYS A 47 1.412 21.553 -14.125 1.00 25.00 H new ATOM 0 HA LYS A 47 2.116 19.760 -13.061 1.00 25.00 H new ATOM 0 HB2 LYS A 47 2.717 18.509 -15.759 1.00 25.00 H new ATOM 0 HB3 LYS A 47 2.512 17.663 -14.238 1.00 25.00 H new ATOM 0 HG2 LYS A 47 0.354 19.227 -15.688 1.00 25.00 H new ATOM 0 HG3 LYS A 47 0.530 17.483 -15.692 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.211 17.448 -13.221 1.00 25.00 H new ATOM 0 HD3 LYS A 47 0.025 19.191 -13.223 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -1.906 18.973 -14.782 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -1.727 17.230 -14.750 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -3.391 18.174 -13.142 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -2.221 17.165 -12.438 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -2.096 18.851 -12.277 1.00 25.00 H new ATOM 686 N CYS A 48 4.627 21.071 -13.662 1.00 25.00 N ATOM 687 CA CYS A 48 6.062 21.281 -13.461 1.00 25.00 C ATOM 688 C CYS A 48 6.318 21.749 -12.040 1.00 25.00 C ATOM 689 O CYS A 48 5.422 22.276 -11.370 1.00 25.00 O ATOM 690 CB CYS A 48 6.600 22.349 -14.416 1.00 25.00 C ATOM 691 SG CYS A 48 5.650 22.592 -15.956 1.00 25.00 S ATOM 0 H CYS A 48 4.072 21.926 -13.620 1.00 25.00 H new ATOM 0 HA CYS A 48 6.567 20.334 -13.653 1.00 25.00 H new ATOM 0 HB2 CYS A 48 6.640 23.299 -13.883 1.00 25.00 H new ATOM 0 HB3 CYS A 48 7.625 22.089 -14.681 1.00 25.00 H new ATOM 696 N CYS A 49 7.582 21.710 -11.653 1.00 25.00 N ATOM 697 CA CYS A 49 8.040 22.402 -10.470 1.00 25.00 C ATOM 698 C CYS A 49 8.981 23.451 -11.032 1.00 25.00 C ATOM 699 O CYS A 49 9.810 23.137 -11.890 1.00 25.00 O ATOM 700 CB CYS A 49 8.748 21.456 -9.496 1.00 25.00 C ATOM 701 SG CYS A 49 9.239 22.317 -7.972 1.00 25.00 S ATOM 0 H CYS A 49 8.312 21.200 -12.150 1.00 25.00 H new ATOM 0 HA CYS A 49 7.228 22.832 -9.883 1.00 25.00 H new ATOM 0 HB2 CYS A 49 8.088 20.625 -9.249 1.00 25.00 H new ATOM 0 HB3 CYS A 49 9.630 21.031 -9.976 1.00 25.00 H new ATOM 706 N THR A 50 8.799 24.694 -10.638 1.00 25.00 N ATOM 707 CA THR A 50 9.564 25.809 -11.201 1.00 25.00 C ATOM 708 C THR A 50 10.254 26.570 -10.087 1.00 25.00 C ATOM 709 O THR A 50 9.817 26.531 -8.938 1.00 25.00 O ATOM 710 CB THR A 50 8.592 26.782 -11.929 1.00 25.00 C ATOM 711 OG1 THR A 50 7.547 27.159 -11.029 1.00 25.00 O ATOM 712 CG2 THR A 50 7.922 26.101 -13.124 1.00 25.00 C ATOM 0 H THR A 50 8.124 24.968 -9.924 1.00 25.00 H new ATOM 0 HA THR A 50 10.304 25.417 -11.899 1.00 25.00 H new ATOM 0 HB THR A 50 9.172 27.641 -12.266 1.00 25.00 H new ATOM 0 HG1 THR A 50 6.932 27.774 -11.481 1.00 25.00 H new ATOM 0 HG21 THR A 50 7.249 26.805 -13.613 1.00 25.00 H new ATOM 0 HG22 THR A 50 8.684 25.776 -13.832 1.00 25.00 H new ATOM 0 HG23 THR A 50 7.355 25.236 -12.779 1.00 25.00 H new ATOM 720 N TRP A 51 11.313 27.293 -10.412 1.00 25.00 N ATOM 721 CA TRP A 51 11.979 28.113 -9.426 1.00 25.00 C ATOM 722 C TRP A 51 11.188 29.408 -9.255 1.00 25.00 C ATOM 723 O TRP A 51 10.597 29.883 -10.215 1.00 25.00 O ATOM 724 CB TRP A 51 13.393 28.420 -9.851 1.00 25.00 C ATOM 725 CG TRP A 51 14.250 28.699 -8.669 1.00 25.00 C ATOM 726 CD1 TRP A 51 14.840 27.791 -7.856 1.00 25.00 C ATOM 727 CD2 TRP A 51 14.637 29.992 -8.142 1.00 25.00 C ATOM 728 NE1 TRP A 51 15.557 28.397 -6.865 1.00 25.00 N ATOM 729 CE2 TRP A 51 15.458 29.750 -7.000 1.00 25.00 C ATOM 730 CE3 TRP A 51 14.392 31.321 -8.527 1.00 25.00 C ATOM 731 CZ2 TRP A 51 16.016 30.803 -6.243 1.00 25.00 C ATOM 732 CZ3 TRP A 51 14.949 32.376 -7.761 1.00 25.00 C ATOM 733 CH2 TRP A 51 15.754 32.106 -6.634 1.00 25.00 C ATOM 0 H TRP A 51 11.724 27.326 -11.345 1.00 25.00 H new ATOM 0 HA TRP A 51 12.025 27.575 -8.479 1.00 25.00 H new ATOM 0 HB2 TRP A 51 13.800 27.578 -10.411 1.00 25.00 H new ATOM 0 HB3 TRP A 51 13.398 29.280 -10.521 1.00 25.00 H new ATOM 0 HD1 TRP A 51 14.754 26.721 -7.977 1.00 25.00 H new ATOM 0 HE1 TRP A 51 16.084 27.913 -6.138 1.00 25.00 H new ATOM 0 HE3 TRP A 51 13.787 31.536 -9.395 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 16.632 30.598 -5.380 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 14.755 33.400 -8.044 1.00 25.00 H new ATOM 0 HH2 TRP A 51 16.171 32.926 -6.069 1.00 25.00 H new ATOM 744 N ASN A 52 11.135 29.947 -8.050 1.00 25.00 N ATOM 745 CA ASN A 52 10.362 31.140 -7.773 1.00 25.00 C ATOM 746 C ASN A 52 11.085 32.416 -8.189 1.00 25.00 C ATOM 747 O ASN A 52 11.685 33.110 -7.371 1.00 25.00 O ATOM 748 CB ASN A 52 10.005 31.212 -6.287 1.00 25.00 C ATOM 749 CG ASN A 52 9.173 32.419 -5.955 1.00 25.00 C ATOM 750 OD1 ASN A 52 8.371 32.878 -6.759 1.00 25.00 O ATOM 751 ND2 ASN A 52 9.372 32.945 -4.778 1.00 25.00 N ATOM 0 H ASN A 52 11.626 29.570 -7.239 1.00 25.00 H new ATOM 0 HA ASN A 52 9.452 31.069 -8.369 1.00 25.00 H new ATOM 0 HB2 ASN A 52 9.462 30.311 -6.003 1.00 25.00 H new ATOM 0 HB3 ASN A 52 10.921 31.232 -5.697 1.00 25.00 H new ATOM 0 HD21 ASN A 52 8.849 33.773 -4.495 1.00 25.00 H new ATOM 0 HD22 ASN A 52 10.051 32.528 -4.141 1.00 25.00 H new ATOM 758 N GLY A 53 10.993 32.739 -9.470 1.00 25.00 N ATOM 759 CA GLY A 53 11.608 33.943 -10.010 1.00 25.00 C ATOM 760 C GLY A 53 10.659 35.130 -10.035 1.00 25.00 C ATOM 761 O GLY A 53 10.825 36.025 -10.864 1.00 25.00 O ATOM 0 H GLY A 53 10.494 32.179 -10.161 1.00 25.00 H new ATOM 0 HA2 GLY A 53 12.484 34.197 -9.413 1.00 25.00 H new ATOM 0 HA3 GLY A 53 11.959 33.743 -11.022 1.00 25.00 H new ATOM 765 N LEU A 54 9.659 35.122 -9.172 1.00 25.00 N ATOM 766 CA LEU A 54 8.685 36.209 -9.124 1.00 25.00 C ATOM 767 C LEU A 54 9.371 37.501 -8.649 1.00 25.00 C ATOM 768 O LEU A 54 10.074 37.501 -7.639 1.00 25.00 O ATOM 769 CB LEU A 54 7.537 35.839 -8.163 1.00 25.00 C ATOM 770 CG LEU A 54 6.425 36.910 -8.094 1.00 25.00 C ATOM 771 CD1 LEU A 54 5.056 36.256 -8.165 1.00 25.00 C ATOM 772 CD2 LEU A 54 6.543 37.762 -6.827 1.00 25.00 C ATOM 0 H LEU A 54 9.496 34.378 -8.494 1.00 25.00 H new ATOM 0 HA LEU A 54 8.276 36.369 -10.122 1.00 25.00 H new ATOM 0 HB2 LEU A 54 7.100 34.892 -8.479 1.00 25.00 H new ATOM 0 HB3 LEU A 54 7.945 35.684 -7.164 1.00 25.00 H new ATOM 0 HG LEU A 54 6.547 37.571 -8.952 1.00 25.00 H new ATOM 0 HD11 LEU A 54 4.283 37.023 -8.115 1.00 25.00 H new ATOM 0 HD12 LEU A 54 4.963 35.708 -9.102 1.00 25.00 H new ATOM 0 HD13 LEU A 54 4.938 35.567 -7.328 1.00 25.00 H new ATOM 0 HD21 LEU A 54 5.745 38.504 -6.812 1.00 25.00 H new ATOM 0 HD22 LEU A 54 6.459 37.122 -5.949 1.00 25.00 H new ATOM 0 HD23 LEU A 54 7.509 38.267 -6.817 1.00 25.00 H new ATOM 784 N VAL A 55 9.125 38.604 -9.352 1.00 25.00 N ATOM 785 CA VAL A 55 9.635 39.914 -8.938 1.00 25.00 C ATOM 786 C VAL A 55 8.417 40.779 -8.565 1.00 25.00 C ATOM 787 O VAL A 55 7.501 40.927 -9.372 1.00 25.00 O ATOM 788 CB VAL A 55 10.469 40.595 -10.079 1.00 25.00 C ATOM 789 CG1 VAL A 55 11.131 41.886 -9.556 1.00 25.00 C ATOM 790 CG2 VAL A 55 11.556 39.619 -10.610 1.00 25.00 C ATOM 0 H VAL A 55 8.576 38.619 -10.211 1.00 25.00 H new ATOM 0 HA VAL A 55 10.308 39.801 -8.088 1.00 25.00 H new ATOM 0 HB VAL A 55 9.795 40.849 -10.897 1.00 25.00 H new ATOM 0 HG11 VAL A 55 11.707 42.350 -10.357 1.00 25.00 H new ATOM 0 HG12 VAL A 55 10.361 42.578 -9.216 1.00 25.00 H new ATOM 0 HG13 VAL A 55 11.794 41.644 -8.725 1.00 25.00 H new ATOM 0 HG21 VAL A 55 12.127 40.105 -11.401 1.00 25.00 H new ATOM 0 HG22 VAL A 55 12.226 39.343 -9.796 1.00 25.00 H new ATOM 0 HG23 VAL A 55 11.078 38.723 -11.006 1.00 25.00 H new ATOM 800 N PRO A 56 8.353 41.282 -7.317 1.00 25.00 N ATOM 801 CA PRO A 56 7.165 42.010 -6.855 1.00 25.00 C ATOM 802 C PRO A 56 7.222 43.526 -7.131 1.00 25.00 C ATOM 803 O PRO A 56 6.485 44.293 -6.521 1.00 25.00 O ATOM 804 CB PRO A 56 7.211 41.760 -5.360 1.00 25.00 C ATOM 805 CG PRO A 56 8.664 41.805 -5.049 1.00 25.00 C ATOM 806 CD PRO A 56 9.345 41.149 -6.230 1.00 25.00 C ATOM 0 HA PRO A 56 6.260 41.677 -7.363 1.00 25.00 H new ATOM 0 HB2 PRO A 56 6.658 42.520 -4.808 1.00 25.00 H new ATOM 0 HB3 PRO A 56 6.774 40.796 -5.100 1.00 25.00 H new ATOM 0 HG2 PRO A 56 9.007 42.831 -4.918 1.00 25.00 H new ATOM 0 HG3 PRO A 56 8.885 41.274 -4.123 1.00 25.00 H new ATOM 0 HD2 PRO A 56 10.283 41.646 -6.479 1.00 25.00 H new ATOM 0 HD3 PRO A 56 9.581 40.104 -6.028 1.00 25.00 H new ATOM 814 N ARG A 57 8.125 43.960 -7.996 1.00 25.00 N ATOM 815 CA ARG A 57 8.283 45.385 -8.301 1.00 25.00 C ATOM 816 C ARG A 57 8.659 45.529 -9.753 1.00 25.00 C ATOM 817 O ARG A 57 8.545 46.642 -10.302 1.00 25.00 O ATOM 818 CB ARG A 57 9.389 45.993 -7.443 1.00 25.00 C ATOM 819 CG ARG A 57 10.750 45.338 -7.626 1.00 25.00 C ATOM 820 CD ARG A 57 11.813 45.991 -6.780 1.00 25.00 C ATOM 821 NE ARG A 57 13.127 45.436 -7.113 1.00 25.00 N ATOM 822 CZ ARG A 57 14.257 45.714 -6.478 1.00 25.00 C ATOM 823 NH1 ARG A 57 15.371 45.142 -6.868 1.00 25.00 N ATOM 824 NH2 ARG A 57 14.321 46.531 -5.454 1.00 25.00 N ATOM 825 OXT ARG A 57 9.181 44.535 -10.285 1.00 25.00 O ATOM 0 H ARG A 57 8.764 43.349 -8.504 1.00 25.00 H new ATOM 0 HA ARG A 57 7.346 45.902 -8.092 1.00 25.00 H new ATOM 0 HB2 ARG A 57 9.474 47.054 -7.678 1.00 25.00 H new ATOM 0 HB3 ARG A 57 9.101 45.921 -6.394 1.00 25.00 H new ATOM 0 HG2 ARG A 57 10.681 44.281 -7.368 1.00 25.00 H new ATOM 0 HG3 ARG A 57 11.039 45.392 -8.676 1.00 25.00 H new ATOM 0 HD2 ARG A 57 11.811 47.068 -6.946 1.00 25.00 H new ATOM 0 HD3 ARG A 57 11.598 45.831 -5.723 1.00 25.00 H new ATOM 0 HE ARG A 57 13.177 44.784 -7.896 1.00 25.00 H new ATOM 0 HH11 ARG A 57 15.362 44.490 -7.653 1.00 25.00 H new ATOM 0 HH12 ARG A 57 16.246 45.349 -6.387 1.00 25.00 H new ATOM 0 HH21 ARG A 57 13.475 46.986 -5.111 1.00 25.00 H new ATOM 0 HH22 ARG A 57 15.217 46.711 -5.000 1.00 25.00 H new TER 839 ARG A 57