USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 435 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 Single : A 11 LYS NZ :NH3+ -140:sc= -1.67 (180deg=-5.49!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.194 USER MOD Single : A 15 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 16 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.059) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.15 X(o=-1.2,f=-0.67) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0.84) USER MOD Single : A 37 GLN : amide:sc= -2.82 K(o=-2.8,f=-4.6!) USER MOD Single : A 41 ASN : amide:sc= 0.159 X(o=0.16,f=-0.031) USER MOD Single : A 43 TYR OH : rot 95:sc= 0.887 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 48 ASN : amide:sc= -0.0594 K(o=-0.059,f=-0.61) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.361 -8.713 0.916 1.00 0.00 N ATOM 67 CA PRO A 8 -4.925 -8.584 0.646 1.00 0.00 C ATOM 68 C PRO A 8 -4.298 -7.413 1.395 1.00 0.00 C ATOM 69 O PRO A 8 -4.997 -6.504 1.842 1.00 0.00 O ATOM 70 CB PRO A 8 -4.868 -8.346 -0.865 1.00 0.00 C ATOM 71 CG PRO A 8 -6.189 -7.747 -1.204 1.00 0.00 C ATOM 72 CD PRO A 8 -7.180 -8.366 -0.258 1.00 0.00 C ATOM 0 HA PRO A 8 -4.368 -9.462 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.050 -7.676 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.705 -9.278 -1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.166 -6.663 -1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.457 -7.954 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.978 -7.670 0.000 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.654 -9.247 -0.692 1.00 0.00 H new ATOM 80 N ARG A 9 -2.976 -7.441 1.527 1.00 0.00 N ATOM 81 CA ARG A 9 -2.254 -6.382 2.222 1.00 0.00 C ATOM 82 C ARG A 9 -0.881 -6.158 1.595 1.00 0.00 C ATOM 83 O ARG A 9 -0.387 -6.997 0.843 1.00 0.00 O ATOM 84 CB ARG A 9 -2.100 -6.728 3.704 1.00 0.00 C ATOM 85 CG ARG A 9 -3.419 -6.784 4.456 1.00 0.00 C ATOM 86 CD ARG A 9 -3.207 -7.088 5.931 1.00 0.00 C ATOM 87 NE ARG A 9 -4.457 -7.424 6.607 1.00 0.00 N ATOM 88 CZ ARG A 9 -4.541 -7.702 7.903 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.452 -7.684 8.660 1.00 0.00 N ATOM 90 NH2 ARG A 9 -5.715 -7.998 8.445 1.00 0.00 N ATOM 0 H ARG A 9 -2.383 -8.186 1.162 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.831 -5.462 2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.599 -7.692 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.453 -5.988 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.940 -5.832 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.059 -7.548 4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.506 -7.916 6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.753 -6.225 6.417 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.313 -7.446 6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.548 -7.456 8.247 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.519 -7.898 9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.555 -8.012 7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.778 -8.211 9.440 1.00 0.00 H new ATOM 104 N ALA A 10 -0.272 -5.020 1.910 1.00 0.00 N ATOM 105 CA ALA A 10 1.044 -4.686 1.380 1.00 0.00 C ATOM 106 C ALA A 10 1.937 -4.087 2.462 1.00 0.00 C ATOM 107 O ALA A 10 1.450 -3.499 3.428 1.00 0.00 O ATOM 108 CB ALA A 10 0.913 -3.723 0.209 1.00 0.00 C ATOM 0 H ALA A 10 -0.669 -4.314 2.530 1.00 0.00 H new ATOM 0 HA ALA A 10 1.511 -5.607 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.904 -3.482 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.320 -4.187 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.422 -2.809 0.543 1.00 0.00 H new ATOM 114 N LYS A 11 3.246 -4.240 2.294 1.00 0.00 N ATOM 115 CA LYS A 11 4.208 -3.715 3.256 1.00 0.00 C ATOM 116 C LYS A 11 5.188 -2.762 2.580 1.00 0.00 C ATOM 117 O LYS A 11 5.760 -3.081 1.538 1.00 0.00 O ATOM 118 CB LYS A 11 4.972 -4.861 3.923 1.00 0.00 C ATOM 119 CG LYS A 11 5.656 -4.463 5.219 1.00 0.00 C ATOM 120 CD LYS A 11 6.196 -5.675 5.960 1.00 0.00 C ATOM 121 CE LYS A 11 7.607 -6.020 5.509 1.00 0.00 C ATOM 122 NZ LYS A 11 7.634 -6.524 4.108 1.00 0.00 N ATOM 0 H LYS A 11 3.665 -4.724 1.500 1.00 0.00 H new ATOM 0 HA LYS A 11 3.658 -3.163 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.280 -5.679 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.721 -5.240 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.472 -3.774 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.949 -3.931 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.193 -5.478 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.540 -6.529 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.240 -5.136 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.027 -6.774 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.309 -7.312 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.685 -6.855 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.927 -5.758 3.469 1.00 0.00 H new ATOM 136 N ALA A 12 5.378 -1.592 3.180 1.00 0.00 N ATOM 137 CA ALA A 12 6.292 -0.594 2.638 1.00 0.00 C ATOM 138 C ALA A 12 7.737 -1.080 2.704 1.00 0.00 C ATOM 139 O ALA A 12 8.161 -1.663 3.702 1.00 0.00 O ATOM 140 CB ALA A 12 6.141 0.722 3.385 1.00 0.00 C ATOM 0 H ALA A 12 4.911 -1.312 4.042 1.00 0.00 H new ATOM 0 HA ALA A 12 6.037 -0.435 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.830 1.457 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.118 1.084 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.367 0.569 4.440 1.00 0.00 H new ATOM 146 N LEU A 13 8.487 -0.836 1.635 1.00 0.00 N ATOM 147 CA LEU A 13 9.885 -1.249 1.571 1.00 0.00 C ATOM 148 C LEU A 13 10.809 -0.110 1.991 1.00 0.00 C ATOM 149 O LEU A 13 11.913 -0.343 2.484 1.00 0.00 O ATOM 150 CB LEU A 13 10.236 -1.711 0.156 1.00 0.00 C ATOM 151 CG LEU A 13 9.550 -2.991 -0.322 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.864 -3.250 -1.787 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.976 -4.176 0.534 1.00 0.00 C ATOM 0 H LEU A 13 8.151 -0.355 0.801 1.00 0.00 H new ATOM 0 HA LEU A 13 10.025 -2.080 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.988 -0.909 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.315 -1.858 0.101 1.00 0.00 H new ATOM 0 HG LEU A 13 8.472 -2.863 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.367 -4.165 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.509 -2.413 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.941 -3.358 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.478 -5.079 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.056 -4.306 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.699 -3.993 1.572 1.00 0.00 H new ATOM 165 N CYS A 14 10.349 1.120 1.793 1.00 0.00 N ATOM 166 CA CYS A 14 11.134 2.296 2.152 1.00 0.00 C ATOM 167 C CYS A 14 10.226 3.466 2.516 1.00 0.00 C ATOM 168 O CYS A 14 9.002 3.348 2.481 1.00 0.00 O ATOM 169 CB CYS A 14 12.057 2.691 0.999 1.00 0.00 C ATOM 170 SG CYS A 14 13.594 3.486 1.522 1.00 0.00 S ATOM 0 H CYS A 14 9.437 1.329 1.386 1.00 0.00 H new ATOM 0 HA CYS A 14 11.740 2.045 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.300 1.800 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.520 3.366 0.333 1.00 0.00 H new ATOM 0 HG CYS A 14 14.308 3.780 0.476 1.00 0.00 H new ATOM 176 N ASN A 15 10.834 4.594 2.867 1.00 0.00 N ATOM 177 CA ASN A 15 10.080 5.785 3.240 1.00 0.00 C ATOM 178 C ASN A 15 9.322 6.347 2.041 1.00 0.00 C ATOM 179 O ASN A 15 9.923 6.734 1.039 1.00 0.00 O ATOM 180 CB ASN A 15 11.018 6.852 3.809 1.00 0.00 C ATOM 181 CG ASN A 15 12.107 6.257 4.681 1.00 0.00 C ATOM 182 OD1 ASN A 15 11.826 5.555 5.653 1.00 0.00 O ATOM 183 ND2 ASN A 15 13.359 6.537 4.337 1.00 0.00 N ATOM 0 H ASN A 15 11.847 4.708 2.901 1.00 0.00 H new ATOM 0 HA ASN A 15 9.357 5.501 4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.475 7.406 2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.439 7.567 4.393 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.134 6.166 4.886 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.545 7.123 3.523 1.00 0.00 H new ATOM 190 N TYR A 16 7.999 6.388 2.152 1.00 0.00 N ATOM 191 CA TYR A 16 7.157 6.900 1.077 1.00 0.00 C ATOM 192 C TYR A 16 6.267 8.035 1.575 1.00 0.00 C ATOM 193 O TYR A 16 5.379 8.501 0.860 1.00 0.00 O ATOM 194 CB TYR A 16 6.296 5.778 0.496 1.00 0.00 C ATOM 195 CG TYR A 16 5.763 6.077 -0.887 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.526 5.815 -2.019 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.497 6.621 -1.063 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.044 6.087 -3.284 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.005 6.895 -2.324 1.00 0.00 C ATOM 200 CZ TYR A 16 4.783 6.627 -3.432 1.00 0.00 C ATOM 201 OH TYR A 16 4.298 6.898 -4.691 1.00 0.00 O ATOM 0 H TYR A 16 7.486 6.073 2.976 1.00 0.00 H new ATOM 0 HA TYR A 16 7.808 7.290 0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.885 4.862 0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.457 5.591 1.167 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.513 5.391 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.886 6.834 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.651 5.878 -4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.018 7.316 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 16 3.396 7.274 -4.620 1.00 0.00 H new ATOM 211 N ARG A 17 6.512 8.474 2.805 1.00 0.00 N ATOM 212 CA ARG A 17 5.733 9.553 3.400 1.00 0.00 C ATOM 213 C ARG A 17 6.273 10.914 2.971 1.00 0.00 C ATOM 214 O ARG A 17 6.187 11.889 3.716 1.00 0.00 O ATOM 215 CB ARG A 17 5.751 9.442 4.926 1.00 0.00 C ATOM 216 CG ARG A 17 7.146 9.526 5.525 1.00 0.00 C ATOM 217 CD ARG A 17 7.555 10.968 5.783 1.00 0.00 C ATOM 218 NE ARG A 17 8.537 11.074 6.860 1.00 0.00 N ATOM 219 CZ ARG A 17 8.215 11.093 8.148 1.00 0.00 C ATOM 220 NH1 ARG A 17 6.944 11.013 8.519 1.00 0.00 N ATOM 221 NH2 ARG A 17 9.165 11.191 9.069 1.00 0.00 N ATOM 0 H ARG A 17 7.244 8.099 3.409 1.00 0.00 H new ATOM 0 HA ARG A 17 4.705 9.462 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.135 10.237 5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.295 8.496 5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.177 8.965 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.862 9.059 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.970 11.396 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.673 11.555 6.038 1.00 0.00 H new ATOM 0 HE ARG A 17 9.524 11.137 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.211 10.937 7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.700 11.028 9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.144 11.252 8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.917 11.206 10.058 1.00 0.00 H new ATOM 235 N GLY A 18 6.830 10.971 1.765 1.00 0.00 N ATOM 236 CA GLY A 18 7.376 12.216 1.259 1.00 0.00 C ATOM 237 C GLY A 18 6.298 13.179 0.802 1.00 0.00 C ATOM 238 O GLY A 18 5.197 13.196 1.352 1.00 0.00 O ATOM 0 H GLY A 18 6.913 10.177 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.975 12.689 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.046 12.003 0.426 1.00 0.00 H new ATOM 242 N LYS A 19 6.616 13.985 -0.205 1.00 0.00 N ATOM 243 CA LYS A 19 5.667 14.956 -0.736 1.00 0.00 C ATOM 244 C LYS A 19 5.370 14.680 -2.206 1.00 0.00 C ATOM 245 O LYS A 19 6.205 14.927 -3.075 1.00 0.00 O ATOM 246 CB LYS A 19 6.214 16.376 -0.574 1.00 0.00 C ATOM 247 CG LYS A 19 7.674 16.514 -0.970 1.00 0.00 C ATOM 248 CD LYS A 19 8.600 16.125 0.171 1.00 0.00 C ATOM 249 CE LYS A 19 8.579 17.162 1.283 1.00 0.00 C ATOM 250 NZ LYS A 19 9.635 18.196 1.098 1.00 0.00 N ATOM 0 H LYS A 19 7.524 13.985 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 19 4.739 14.864 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.616 17.058 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.097 16.685 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.878 15.885 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.875 17.543 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.300 15.156 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.617 16.014 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.601 17.643 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.720 16.667 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.587 18.884 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.570 17.741 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.486 18.686 0.193 1.00 0.00 H new ATOM 264 N ASN A 20 4.174 14.166 -2.477 1.00 0.00 N ATOM 265 CA ASN A 20 3.767 13.856 -3.843 1.00 0.00 C ATOM 266 C ASN A 20 2.353 14.360 -4.117 1.00 0.00 C ATOM 267 O ASN A 20 1.571 14.617 -3.201 1.00 0.00 O ATOM 268 CB ASN A 20 3.839 12.348 -4.090 1.00 0.00 C ATOM 269 CG ASN A 20 5.214 11.903 -4.552 1.00 0.00 C ATOM 270 OD1 ASN A 20 5.814 11.000 -3.970 1.00 0.00 O ATOM 271 ND2 ASN A 20 5.718 12.538 -5.604 1.00 0.00 N ATOM 0 H ASN A 20 3.470 13.956 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 20 4.453 14.362 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.578 11.819 -3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.099 12.070 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.639 12.283 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.184 13.281 -6.055 1.00 0.00 H new ATOM 278 N PRO A 21 2.016 14.505 -5.407 1.00 0.00 N ATOM 279 CA PRO A 21 0.695 14.978 -5.831 1.00 0.00 C ATOM 280 C PRO A 21 -0.402 13.956 -5.558 1.00 0.00 C ATOM 281 O PRO A 21 -0.406 12.866 -6.130 1.00 0.00 O ATOM 282 CB PRO A 21 0.863 15.193 -7.338 1.00 0.00 C ATOM 283 CG PRO A 21 1.969 14.275 -7.731 1.00 0.00 C ATOM 284 CD PRO A 21 2.898 14.218 -6.550 1.00 0.00 C ATOM 0 HA PRO A 21 0.389 15.873 -5.290 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.056 14.959 -7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.110 16.230 -7.565 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.586 13.284 -7.975 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.486 14.643 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.370 13.240 -6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.699 14.952 -6.633 1.00 0.00 H new ATOM 292 N GLY A 22 -1.334 14.314 -4.680 1.00 0.00 N ATOM 293 CA GLY A 22 -2.424 13.416 -4.347 1.00 0.00 C ATOM 294 C GLY A 22 -1.971 11.975 -4.223 1.00 0.00 C ATOM 295 O GLY A 22 -2.423 11.108 -4.971 1.00 0.00 O ATOM 0 H GLY A 22 -1.353 15.210 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.878 13.733 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.196 13.486 -5.114 1.00 0.00 H new ATOM 299 N ASP A 23 -1.074 11.718 -3.277 1.00 0.00 N ATOM 300 CA ASP A 23 -0.558 10.371 -3.058 1.00 0.00 C ATOM 301 C ASP A 23 -0.746 9.947 -1.605 1.00 0.00 C ATOM 302 O ASP A 23 -1.272 10.705 -0.789 1.00 0.00 O ATOM 303 CB ASP A 23 0.922 10.301 -3.436 1.00 0.00 C ATOM 304 CG ASP A 23 1.132 10.121 -4.926 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.281 10.596 -5.707 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.146 9.503 -5.312 1.00 0.00 O ATOM 0 H ASP A 23 -0.689 12.424 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.119 9.686 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.421 11.214 -3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.391 9.474 -2.904 1.00 0.00 H new ATOM 311 N LEU A 24 -0.315 8.731 -1.289 1.00 0.00 N ATOM 312 CA LEU A 24 -0.436 8.205 0.066 1.00 0.00 C ATOM 313 C LEU A 24 0.921 8.173 0.762 1.00 0.00 C ATOM 314 O LEU A 24 1.870 7.564 0.268 1.00 0.00 O ATOM 315 CB LEU A 24 -1.040 6.799 0.037 1.00 0.00 C ATOM 316 CG LEU A 24 -1.688 6.320 1.336 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.820 5.348 1.040 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.651 5.674 2.243 1.00 0.00 C ATOM 0 H LEU A 24 0.121 8.091 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.096 8.866 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.789 6.763 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.255 6.094 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.104 7.185 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.270 5.017 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.575 5.844 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.427 4.485 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.130 5.339 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.205 4.819 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.126 6.400 2.482 1.00 0.00 H new ATOM 330 N LYS A 25 1.006 8.832 1.913 1.00 0.00 N ATOM 331 CA LYS A 25 2.245 8.877 2.680 1.00 0.00 C ATOM 332 C LYS A 25 2.293 7.747 3.703 1.00 0.00 C ATOM 333 O LYS A 25 1.399 7.615 4.539 1.00 0.00 O ATOM 334 CB LYS A 25 2.382 10.227 3.387 1.00 0.00 C ATOM 335 CG LYS A 25 2.703 11.376 2.448 1.00 0.00 C ATOM 336 CD LYS A 25 1.448 11.923 1.787 1.00 0.00 C ATOM 337 CE LYS A 25 0.657 12.807 2.738 1.00 0.00 C ATOM 338 NZ LYS A 25 -0.407 13.571 2.030 1.00 0.00 N ATOM 0 H LYS A 25 0.231 9.343 2.335 1.00 0.00 H new ATOM 0 HA LYS A 25 3.077 8.751 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.453 10.448 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.166 10.155 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.200 12.172 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.401 11.037 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.722 12.495 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.822 11.096 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.205 12.191 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.334 13.502 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.923 14.161 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.026 14.178 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.068 12.908 1.577 1.00 0.00 H new ATOM 352 N PHE A 26 3.343 6.936 3.633 1.00 0.00 N ATOM 353 CA PHE A 26 3.508 5.817 4.555 1.00 0.00 C ATOM 354 C PHE A 26 4.977 5.629 4.924 1.00 0.00 C ATOM 355 O PHE A 26 5.870 6.105 4.225 1.00 0.00 O ATOM 356 CB PHE A 26 2.958 4.532 3.933 1.00 0.00 C ATOM 357 CG PHE A 26 3.524 4.233 2.575 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.705 3.519 2.444 1.00 0.00 C ATOM 359 CD2 PHE A 26 2.876 4.665 1.429 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.229 3.242 1.195 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.395 4.390 0.178 1.00 0.00 C ATOM 362 CZ PHE A 26 4.574 3.679 0.061 1.00 0.00 C ATOM 0 H PHE A 26 4.093 7.032 2.948 1.00 0.00 H new ATOM 0 HA PHE A 26 2.949 6.041 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.171 3.696 4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.874 4.610 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.222 3.175 3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.955 5.223 1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.150 2.684 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.879 4.731 -0.708 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.982 3.466 -0.916 1.00 0.00 H new ATOM 372 N ASN A 27 5.217 4.931 6.030 1.00 0.00 N ATOM 373 CA ASN A 27 6.577 4.680 6.494 1.00 0.00 C ATOM 374 C ASN A 27 6.934 3.203 6.358 1.00 0.00 C ATOM 375 O ASN A 27 6.150 2.327 6.722 1.00 0.00 O ATOM 376 CB ASN A 27 6.730 5.122 7.951 1.00 0.00 C ATOM 377 CG ASN A 27 5.941 6.380 8.260 1.00 0.00 C ATOM 378 OD1 ASN A 27 4.737 6.325 8.510 1.00 0.00 O ATOM 379 ND2 ASN A 27 6.619 7.522 8.244 1.00 0.00 N ATOM 0 H ASN A 27 4.489 4.530 6.621 1.00 0.00 H new ATOM 0 HA ASN A 27 7.260 5.259 5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.399 4.318 8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.784 5.296 8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.142 8.401 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.617 7.520 8.032 1.00 0.00 H new ATOM 386 N LYS A 28 8.125 2.934 5.833 1.00 0.00 N ATOM 387 CA LYS A 28 8.589 1.564 5.650 1.00 0.00 C ATOM 388 C LYS A 28 8.121 0.674 6.796 1.00 0.00 C ATOM 389 O LYS A 28 8.095 1.096 7.952 1.00 0.00 O ATOM 390 CB LYS A 28 10.116 1.530 5.553 1.00 0.00 C ATOM 391 CG LYS A 28 10.685 0.128 5.413 1.00 0.00 C ATOM 392 CD LYS A 28 12.120 0.057 5.906 1.00 0.00 C ATOM 393 CE LYS A 28 12.661 -1.363 5.845 1.00 0.00 C ATOM 394 NZ LYS A 28 13.311 -1.653 4.538 1.00 0.00 N ATOM 0 H LYS A 28 8.787 3.647 5.527 1.00 0.00 H new ATOM 0 HA LYS A 28 8.164 1.183 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.431 2.128 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.539 1.998 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.070 -0.573 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.643 -0.180 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.746 0.712 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.172 0.424 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.381 -1.512 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.847 -2.069 6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.270 -2.675 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.814 -1.141 3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.304 -1.347 4.569 1.00 0.00 H new ATOM 408 N GLY A 29 7.754 -0.562 6.469 1.00 0.00 N ATOM 409 CA GLY A 29 7.294 -1.492 7.483 1.00 0.00 C ATOM 410 C GLY A 29 5.792 -1.440 7.680 1.00 0.00 C ATOM 411 O GLY A 29 5.158 -2.462 7.942 1.00 0.00 O ATOM 0 H GLY A 29 7.767 -0.935 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.585 -2.504 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.789 -1.268 8.428 1.00 0.00 H new ATOM 415 N ASP A 30 5.222 -0.247 7.554 1.00 0.00 N ATOM 416 CA ASP A 30 3.785 -0.065 7.721 1.00 0.00 C ATOM 417 C ASP A 30 3.009 -0.943 6.744 1.00 0.00 C ATOM 418 O ASP A 30 3.444 -1.167 5.614 1.00 0.00 O ATOM 419 CB ASP A 30 3.408 1.403 7.515 1.00 0.00 C ATOM 420 CG ASP A 30 3.944 2.298 8.615 1.00 0.00 C ATOM 421 OD1 ASP A 30 5.110 2.109 9.019 1.00 0.00 O ATOM 422 OD2 ASP A 30 3.197 3.188 9.072 1.00 0.00 O ATOM 0 H ASP A 30 5.733 0.609 7.337 1.00 0.00 H new ATOM 0 HA ASP A 30 3.522 -0.361 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.794 1.743 6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.323 1.494 7.473 1.00 0.00 H new ATOM 427 N VAL A 31 1.859 -1.440 7.187 1.00 0.00 N ATOM 428 CA VAL A 31 1.022 -2.294 6.353 1.00 0.00 C ATOM 429 C VAL A 31 -0.233 -1.558 5.898 1.00 0.00 C ATOM 430 O VAL A 31 -1.076 -1.185 6.714 1.00 0.00 O ATOM 431 CB VAL A 31 0.610 -3.577 7.099 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.347 -4.403 6.253 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.839 -4.391 7.477 1.00 0.00 C ATOM 0 H VAL A 31 1.485 -1.266 8.120 1.00 0.00 H new ATOM 0 HA VAL A 31 1.617 -2.565 5.481 1.00 0.00 H new ATOM 0 HB VAL A 31 0.094 -3.293 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.627 -5.305 6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.241 -3.817 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.140 -4.679 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.530 -5.294 8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.385 -4.666 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.484 -3.797 8.124 1.00 0.00 H new ATOM 443 N ILE A 32 -0.351 -1.355 4.590 1.00 0.00 N ATOM 444 CA ILE A 32 -1.505 -0.665 4.026 1.00 0.00 C ATOM 445 C ILE A 32 -2.545 -1.658 3.519 1.00 0.00 C ATOM 446 O ILE A 32 -2.212 -2.631 2.841 1.00 0.00 O ATOM 447 CB ILE A 32 -1.094 0.267 2.870 1.00 0.00 C ATOM 448 CG1 ILE A 32 -0.096 1.316 3.362 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.321 0.936 2.268 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.799 1.859 2.270 1.00 0.00 C ATOM 0 H ILE A 32 0.338 -1.658 3.901 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.938 -0.067 4.828 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.612 -0.329 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.644 2.142 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.524 0.877 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.015 1.591 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.000 0.174 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.828 1.523 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.481 2.598 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.374 1.043 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.188 2.328 1.498 1.00 0.00 H new ATOM 462 N LEU A 33 -3.806 -1.405 3.850 1.00 0.00 N ATOM 463 CA LEU A 33 -4.898 -2.276 3.426 1.00 0.00 C ATOM 464 C LEU A 33 -5.402 -1.883 2.041 1.00 0.00 C ATOM 465 O LEU A 33 -5.878 -0.765 1.836 1.00 0.00 O ATOM 466 CB LEU A 33 -6.046 -2.216 4.435 1.00 0.00 C ATOM 467 CG LEU A 33 -5.979 -3.218 5.588 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.217 -2.629 6.765 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.379 -3.636 6.013 1.00 0.00 C ATOM 0 H LEU A 33 -4.098 -0.604 4.410 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.518 -3.296 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.082 -1.211 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.983 -2.371 3.899 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.445 -4.104 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.180 -3.357 7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.202 -2.381 6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.722 -1.727 7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.312 -4.349 6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.938 -2.759 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.892 -4.100 5.170 1.00 0.00 H new ATOM 481 N LEU A 34 -5.296 -2.809 1.094 1.00 0.00 N ATOM 482 CA LEU A 34 -5.744 -2.560 -0.272 1.00 0.00 C ATOM 483 C LEU A 34 -7.243 -2.283 -0.312 1.00 0.00 C ATOM 484 O LEU A 34 -8.057 -3.198 -0.188 1.00 0.00 O ATOM 485 CB LEU A 34 -5.411 -3.757 -1.164 1.00 0.00 C ATOM 486 CG LEU A 34 -3.932 -3.956 -1.496 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.749 -5.143 -2.429 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.350 -2.694 -2.116 1.00 0.00 C ATOM 0 H LEU A 34 -4.904 -3.738 1.247 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.221 -1.679 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.778 -4.661 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.962 -3.652 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.396 -4.162 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.690 -5.269 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.128 -6.045 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.298 -4.967 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.297 -2.854 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.890 -2.457 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.446 -1.866 -1.414 1.00 0.00 H new ATOM 500 N ARG A 35 -7.601 -1.015 -0.488 1.00 0.00 N ATOM 501 CA ARG A 35 -9.002 -0.617 -0.545 1.00 0.00 C ATOM 502 C ARG A 35 -9.538 -0.720 -1.970 1.00 0.00 C ATOM 503 O ARG A 35 -10.653 -1.191 -2.192 1.00 0.00 O ATOM 504 CB ARG A 35 -9.171 0.812 -0.027 1.00 0.00 C ATOM 505 CG ARG A 35 -10.531 1.416 -0.337 1.00 0.00 C ATOM 506 CD ARG A 35 -11.627 0.782 0.506 1.00 0.00 C ATOM 507 NE ARG A 35 -11.493 1.118 1.920 1.00 0.00 N ATOM 508 CZ ARG A 35 -12.431 0.869 2.827 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.566 0.284 2.468 1.00 0.00 N ATOM 510 NH2 ARG A 35 -12.236 1.205 4.096 1.00 0.00 N ATOM 0 H ARG A 35 -6.940 -0.246 -0.594 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.572 -1.295 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.017 0.819 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.395 1.442 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.504 2.490 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.759 1.280 -1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.600 1.115 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.596 -0.301 0.386 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.632 1.569 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.720 0.024 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.285 0.094 3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.365 1.655 4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.957 1.013 4.791 1.00 0.00 H new ATOM 524 N ARG A 36 -8.736 -0.274 -2.932 1.00 0.00 N ATOM 525 CA ARG A 36 -9.131 -0.313 -4.335 1.00 0.00 C ATOM 526 C ARG A 36 -7.911 -0.474 -5.238 1.00 0.00 C ATOM 527 O ARG A 36 -6.951 0.289 -5.140 1.00 0.00 O ATOM 528 CB ARG A 36 -9.892 0.960 -4.709 1.00 0.00 C ATOM 529 CG ARG A 36 -10.659 0.849 -6.016 1.00 0.00 C ATOM 530 CD ARG A 36 -11.232 2.192 -6.442 1.00 0.00 C ATOM 531 NE ARG A 36 -12.445 2.041 -7.240 1.00 0.00 N ATOM 532 CZ ARG A 36 -13.245 3.053 -7.560 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.961 4.282 -7.151 1.00 0.00 N ATOM 534 NH2 ARG A 36 -14.331 2.836 -8.291 1.00 0.00 N ATOM 0 H ARG A 36 -7.809 0.118 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.785 -1.173 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.589 1.205 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.186 1.787 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.998 0.470 -6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.467 0.126 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.452 2.789 -5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.485 2.739 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.692 1.108 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.127 4.453 -6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.577 5.057 -7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.552 1.892 -8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.944 3.613 -8.536 1.00 0.00 H new ATOM 548 N GLN A 37 -7.958 -1.471 -6.115 1.00 0.00 N ATOM 549 CA GLN A 37 -6.857 -1.732 -7.035 1.00 0.00 C ATOM 550 C GLN A 37 -7.092 -1.044 -8.375 1.00 0.00 C ATOM 551 O GLN A 37 -8.031 -1.377 -9.100 1.00 0.00 O ATOM 552 CB GLN A 37 -6.684 -3.237 -7.243 1.00 0.00 C ATOM 553 CG GLN A 37 -5.542 -3.595 -8.180 1.00 0.00 C ATOM 554 CD GLN A 37 -5.979 -3.678 -9.629 1.00 0.00 C ATOM 555 OE1 GLN A 37 -7.157 -3.508 -9.945 1.00 0.00 O ATOM 556 NE2 GLN A 37 -5.030 -3.940 -10.520 1.00 0.00 N ATOM 0 H GLN A 37 -8.746 -2.111 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.946 -1.327 -6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.512 -3.711 -6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.612 -3.649 -7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.752 -2.850 -8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.116 -4.552 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.066 -4.074 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.265 -4.007 -11.510 1.00 0.00 H new ATOM 565 N LEU A 38 -6.234 -0.083 -8.700 1.00 0.00 N ATOM 566 CA LEU A 38 -6.349 0.652 -9.955 1.00 0.00 C ATOM 567 C LEU A 38 -5.575 -0.046 -11.068 1.00 0.00 C ATOM 568 O LEU A 38 -6.066 -0.180 -12.189 1.00 0.00 O ATOM 569 CB LEU A 38 -5.834 2.082 -9.779 1.00 0.00 C ATOM 570 CG LEU A 38 -6.455 2.884 -8.635 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.539 4.026 -8.224 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.824 3.413 -9.036 1.00 0.00 C ATOM 0 H LEU A 38 -5.452 0.205 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.402 0.683 -10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.756 2.042 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.002 2.624 -10.709 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.581 2.221 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.998 4.585 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.581 3.624 -7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.380 4.689 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.251 3.981 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.723 4.060 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.480 2.577 -9.279 1.00 0.00 H new ATOM 584 N ASP A 39 -4.364 -0.490 -10.751 1.00 0.00 N ATOM 585 CA ASP A 39 -3.523 -1.178 -11.723 1.00 0.00 C ATOM 586 C ASP A 39 -2.646 -2.223 -11.040 1.00 0.00 C ATOM 587 O ASP A 39 -2.754 -2.445 -9.835 1.00 0.00 O ATOM 588 CB ASP A 39 -2.648 -0.173 -12.475 1.00 0.00 C ATOM 589 CG ASP A 39 -2.208 -0.689 -13.831 1.00 0.00 C ATOM 590 OD1 ASP A 39 -3.065 -0.792 -14.734 1.00 0.00 O ATOM 591 OD2 ASP A 39 -1.007 -0.989 -13.989 1.00 0.00 O ATOM 0 H ASP A 39 -3.943 -0.386 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.174 -1.685 -12.435 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.199 0.758 -12.605 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.768 0.059 -11.875 1.00 0.00 H new ATOM 596 N GLU A 40 -1.779 -2.862 -11.820 1.00 0.00 N ATOM 597 CA GLU A 40 -0.885 -3.885 -11.289 1.00 0.00 C ATOM 598 C GLU A 40 0.333 -3.251 -10.623 1.00 0.00 C ATOM 599 O GLU A 40 1.016 -3.887 -9.822 1.00 0.00 O ATOM 600 CB GLU A 40 -0.436 -4.830 -12.406 1.00 0.00 C ATOM 601 CG GLU A 40 0.936 -5.439 -12.172 1.00 0.00 C ATOM 602 CD GLU A 40 0.963 -6.375 -10.979 1.00 0.00 C ATOM 603 OE1 GLU A 40 0.153 -6.175 -10.050 1.00 0.00 O ATOM 604 OE2 GLU A 40 1.794 -7.308 -10.975 1.00 0.00 O ATOM 0 H GLU A 40 -1.677 -2.690 -12.820 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.432 -4.455 -10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.168 -5.632 -12.508 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.426 -4.285 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.244 -5.984 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.662 -4.641 -12.019 1.00 0.00 H new ATOM 611 N ASN A 41 0.598 -1.994 -10.963 1.00 0.00 N ATOM 612 CA ASN A 41 1.734 -1.274 -10.399 1.00 0.00 C ATOM 613 C ASN A 41 1.273 -0.271 -9.346 1.00 0.00 C ATOM 614 O ASN A 41 2.040 0.111 -8.461 1.00 0.00 O ATOM 615 CB ASN A 41 2.505 -0.551 -11.505 1.00 0.00 C ATOM 616 CG ASN A 41 2.798 -1.451 -12.690 1.00 0.00 C ATOM 617 OD1 ASN A 41 3.905 -1.970 -12.831 1.00 0.00 O ATOM 618 ND2 ASN A 41 1.803 -1.641 -13.548 1.00 0.00 N ATOM 0 H ASN A 41 0.042 -1.453 -11.626 1.00 0.00 H new ATOM 0 HA ASN A 41 2.392 -2.000 -9.921 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.929 0.311 -11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.443 -0.170 -11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.940 -2.238 -14.364 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.901 -1.190 -13.391 1.00 0.00 H new ATOM 625 N TRP A 42 0.018 0.151 -9.447 1.00 0.00 N ATOM 626 CA TRP A 42 -0.545 1.109 -8.502 1.00 0.00 C ATOM 627 C TRP A 42 -1.594 0.447 -7.616 1.00 0.00 C ATOM 628 O TRP A 42 -2.210 -0.546 -8.003 1.00 0.00 O ATOM 629 CB TRP A 42 -1.163 2.291 -9.251 1.00 0.00 C ATOM 630 CG TRP A 42 -0.145 3.201 -9.869 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.482 3.033 -11.071 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.366 4.418 -9.315 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.351 4.073 -11.297 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.298 4.936 -10.235 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.125 5.122 -8.132 1.00 0.00 C ATOM 636 CZ2 TRP A 42 1.987 6.124 -10.006 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.810 6.300 -7.906 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.732 6.792 -8.840 1.00 0.00 C ATOM 0 H TRP A 42 -0.629 -0.155 -10.174 1.00 0.00 H new ATOM 0 HA TRP A 42 0.262 1.473 -7.866 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.823 1.912 -10.032 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.782 2.865 -8.562 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.319 2.205 -11.744 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.940 4.184 -12.122 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.585 4.751 -7.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.698 6.505 -10.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.632 6.851 -6.994 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.251 7.717 -8.635 1.00 0.00 H new ATOM 649 N TYR A 43 -1.794 1.004 -6.427 1.00 0.00 N ATOM 650 CA TYR A 43 -2.768 0.466 -5.485 1.00 0.00 C ATOM 651 C TYR A 43 -3.305 1.562 -4.570 1.00 0.00 C ATOM 652 O TYR A 43 -2.541 2.356 -4.021 1.00 0.00 O ATOM 653 CB TYR A 43 -2.138 -0.649 -4.648 1.00 0.00 C ATOM 654 CG TYR A 43 -1.726 -1.856 -5.459 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.626 -2.487 -6.309 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.436 -2.366 -5.376 1.00 0.00 C ATOM 657 CE1 TYR A 43 -2.255 -3.591 -7.051 1.00 0.00 C ATOM 658 CE2 TYR A 43 -0.055 -3.469 -6.116 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.968 -4.078 -6.952 1.00 0.00 C ATOM 660 OH TYR A 43 -0.593 -5.177 -7.691 1.00 0.00 O ATOM 0 H TYR A 43 -1.294 1.828 -6.093 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.600 0.056 -6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.264 -0.254 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.847 -0.962 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.634 -2.107 -6.391 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.281 -1.892 -4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.968 -4.070 -7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.952 -3.852 -6.040 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.165 -4.882 -8.522 1.00 0.00 H new ATOM 670 N GLN A 44 -4.624 1.598 -4.412 1.00 0.00 N ATOM 671 CA GLN A 44 -5.264 2.597 -3.564 1.00 0.00 C ATOM 672 C GLN A 44 -5.628 2.006 -2.206 1.00 0.00 C ATOM 673 O GLN A 44 -6.565 1.217 -2.092 1.00 0.00 O ATOM 674 CB GLN A 44 -6.517 3.148 -4.246 1.00 0.00 C ATOM 675 CG GLN A 44 -7.164 4.300 -3.493 1.00 0.00 C ATOM 676 CD GLN A 44 -8.555 4.622 -4.001 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.809 4.603 -5.205 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.467 4.920 -3.082 1.00 0.00 N ATOM 0 H GLN A 44 -5.270 0.948 -4.860 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.556 3.411 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.257 3.482 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.244 2.343 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.217 4.052 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.535 5.186 -3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.213 4.924 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.421 5.145 -3.364 1.00 0.00 H new ATOM 687 N GLY A 45 -4.880 2.393 -1.177 1.00 0.00 N ATOM 688 CA GLY A 45 -5.139 1.891 0.159 1.00 0.00 C ATOM 689 C GLY A 45 -5.448 3.000 1.145 1.00 0.00 C ATOM 690 O GLY A 45 -5.595 4.159 0.759 1.00 0.00 O ATOM 0 H GLY A 45 -4.099 3.046 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.977 1.194 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.272 1.330 0.508 1.00 0.00 H new ATOM 694 N GLU A 46 -5.548 2.644 2.422 1.00 0.00 N ATOM 695 CA GLU A 46 -5.844 3.619 3.466 1.00 0.00 C ATOM 696 C GLU A 46 -5.086 3.289 4.749 1.00 0.00 C ATOM 697 O GLU A 46 -5.184 2.179 5.272 1.00 0.00 O ATOM 698 CB GLU A 46 -7.348 3.659 3.744 1.00 0.00 C ATOM 699 CG GLU A 46 -7.698 4.213 5.115 1.00 0.00 C ATOM 700 CD GLU A 46 -9.131 4.702 5.199 1.00 0.00 C ATOM 701 OE1 GLU A 46 -10.002 4.102 4.535 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.381 5.684 5.929 1.00 0.00 O ATOM 0 H GLU A 46 -5.429 1.689 2.758 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.520 4.599 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.834 4.267 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.753 2.651 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.537 3.440 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.023 5.035 5.354 1.00 0.00 H new ATOM 709 N ILE A 47 -4.331 4.261 5.249 1.00 0.00 N ATOM 710 CA ILE A 47 -3.558 4.075 6.470 1.00 0.00 C ATOM 711 C ILE A 47 -3.912 5.131 7.512 1.00 0.00 C ATOM 712 O ILE A 47 -3.934 6.325 7.217 1.00 0.00 O ATOM 713 CB ILE A 47 -2.044 4.133 6.192 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.257 3.923 7.488 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.673 5.461 5.550 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.203 3.596 7.262 1.00 0.00 C ATOM 0 H ILE A 47 -4.238 5.185 4.827 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.812 3.088 6.856 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.786 3.333 5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.329 4.824 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.718 3.116 8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.600 5.486 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.211 5.573 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.942 6.277 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.699 3.460 8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.284 2.679 6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.679 4.413 6.720 1.00 0.00 H new ATOM 728 N ASN A 48 -4.188 4.682 8.732 1.00 0.00 N ATOM 729 CA ASN A 48 -4.540 5.589 9.819 1.00 0.00 C ATOM 730 C ASN A 48 -5.648 6.546 9.391 1.00 0.00 C ATOM 731 O ASN A 48 -5.573 7.749 9.637 1.00 0.00 O ATOM 732 CB ASN A 48 -3.311 6.382 10.268 1.00 0.00 C ATOM 733 CG ASN A 48 -2.435 5.597 11.226 1.00 0.00 C ATOM 734 OD1 ASN A 48 -2.932 4.918 12.124 1.00 0.00 O ATOM 735 ND2 ASN A 48 -1.124 5.689 11.038 1.00 0.00 N ATOM 0 H ASN A 48 -4.175 3.696 8.993 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.903 4.991 10.655 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.725 6.665 9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.634 7.306 10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.484 5.184 11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.757 6.264 10.280 1.00 0.00 H new ATOM 742 N GLY A 49 -6.678 6.002 8.749 1.00 0.00 N ATOM 743 CA GLY A 49 -7.787 6.821 8.298 1.00 0.00 C ATOM 744 C GLY A 49 -7.383 7.797 7.210 1.00 0.00 C ATOM 745 O GLY A 49 -8.026 8.830 7.022 1.00 0.00 O ATOM 0 H GLY A 49 -6.763 5.009 8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.583 6.176 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.194 7.374 9.145 1.00 0.00 H new ATOM 749 N VAL A 50 -6.313 7.470 6.492 1.00 0.00 N ATOM 750 CA VAL A 50 -5.823 8.326 5.418 1.00 0.00 C ATOM 751 C VAL A 50 -5.842 7.594 4.081 1.00 0.00 C ATOM 752 O VAL A 50 -5.094 6.639 3.873 1.00 0.00 O ATOM 753 CB VAL A 50 -4.391 8.817 5.701 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.924 9.761 4.604 1.00 0.00 C ATOM 755 CG2 VAL A 50 -4.319 9.491 7.063 1.00 0.00 C ATOM 0 H VAL A 50 -5.769 6.619 6.635 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.491 9.186 5.368 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.725 7.954 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.910 10.098 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.936 9.240 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.590 10.622 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.300 9.832 7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.996 10.345 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.609 8.780 7.837 1.00 0.00 H new ATOM 765 N SER A 51 -6.703 8.049 3.176 1.00 0.00 N ATOM 766 CA SER A 51 -6.823 7.436 1.858 1.00 0.00 C ATOM 767 C SER A 51 -5.824 8.048 0.881 1.00 0.00 C ATOM 768 O SER A 51 -5.628 9.263 0.855 1.00 0.00 O ATOM 769 CB SER A 51 -8.246 7.603 1.322 1.00 0.00 C ATOM 770 OG SER A 51 -9.190 6.985 2.180 1.00 0.00 O ATOM 0 H SER A 51 -7.328 8.840 3.331 1.00 0.00 H new ATOM 0 HA SER A 51 -6.603 6.373 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.479 8.663 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.316 7.167 0.325 1.00 0.00 H new ATOM 0 HG SER A 51 -10.092 7.107 1.816 1.00 0.00 H new ATOM 776 N GLY A 52 -5.193 7.197 0.078 1.00 0.00 N ATOM 777 CA GLY A 52 -4.222 7.671 -0.890 1.00 0.00 C ATOM 778 C GLY A 52 -3.831 6.603 -1.891 1.00 0.00 C ATOM 779 O GLY A 52 -4.319 5.474 -1.826 1.00 0.00 O ATOM 0 H GLY A 52 -5.337 6.187 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.633 8.529 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.331 8.017 -0.366 1.00 0.00 H new ATOM 783 N ILE A 53 -2.951 6.958 -2.821 1.00 0.00 N ATOM 784 CA ILE A 53 -2.496 6.021 -3.840 1.00 0.00 C ATOM 785 C ILE A 53 -0.991 5.796 -3.749 1.00 0.00 C ATOM 786 O ILE A 53 -0.229 6.727 -3.488 1.00 0.00 O ATOM 787 CB ILE A 53 -2.845 6.516 -5.256 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.248 7.904 -5.497 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.354 6.542 -5.452 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.389 8.384 -6.924 1.00 0.00 C ATOM 0 H ILE A 53 -2.539 7.888 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.013 5.079 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.416 5.825 -5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.733 8.619 -4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.191 7.887 -5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.584 6.894 -6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.756 5.538 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.804 7.213 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.944 9.374 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.880 7.690 -7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.445 8.434 -7.188 1.00 0.00 H new ATOM 802 N PHE A 54 -0.569 4.556 -3.968 1.00 0.00 N ATOM 803 CA PHE A 54 0.847 4.209 -3.911 1.00 0.00 C ATOM 804 C PHE A 54 1.178 3.110 -4.917 1.00 0.00 C ATOM 805 O PHE A 54 0.334 2.289 -5.278 1.00 0.00 O ATOM 806 CB PHE A 54 1.226 3.755 -2.500 1.00 0.00 C ATOM 807 CG PHE A 54 0.371 2.636 -1.979 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.821 2.904 -1.326 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.758 1.316 -2.144 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.610 1.876 -0.845 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.027 0.283 -1.666 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.213 0.564 -1.016 1.00 0.00 C ATOM 0 H PHE A 54 -1.186 3.774 -4.187 1.00 0.00 H new ATOM 0 HA PHE A 54 1.424 5.098 -4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.268 3.436 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.151 4.605 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.137 3.928 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.684 1.091 -2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.536 2.098 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.287 -0.742 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.829 -0.241 -0.642 1.00 0.00 H new ATOM 822 N PRO A 55 2.436 3.093 -5.381 1.00 0.00 N ATOM 823 CA PRO A 55 2.909 2.101 -6.351 1.00 0.00 C ATOM 824 C PRO A 55 3.008 0.703 -5.749 1.00 0.00 C ATOM 825 O PRO A 55 2.533 0.459 -4.640 1.00 0.00 O ATOM 826 CB PRO A 55 4.297 2.616 -6.737 1.00 0.00 C ATOM 827 CG PRO A 55 4.741 3.424 -5.567 1.00 0.00 C ATOM 828 CD PRO A 55 3.495 4.040 -4.993 1.00 0.00 C ATOM 0 HA PRO A 55 2.227 1.999 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.984 1.793 -6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.257 3.221 -7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.243 2.799 -4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.452 4.192 -5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.562 4.147 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.314 5.034 -5.401 1.00 0.00 H new ATOM 836 N ALA A 56 3.628 -0.212 -6.488 1.00 0.00 N ATOM 837 CA ALA A 56 3.791 -1.584 -6.026 1.00 0.00 C ATOM 838 C ALA A 56 5.261 -1.914 -5.793 1.00 0.00 C ATOM 839 O ALA A 56 5.590 -2.913 -5.153 1.00 0.00 O ATOM 840 CB ALA A 56 3.182 -2.555 -7.028 1.00 0.00 C ATOM 0 H ALA A 56 4.025 -0.027 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 56 3.268 -1.685 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.311 -3.576 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.119 -2.342 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.679 -2.443 -7.992 1.00 0.00 H new ATOM 846 N SER A 57 6.143 -1.069 -6.318 1.00 0.00 N ATOM 847 CA SER A 57 7.579 -1.274 -6.172 1.00 0.00 C ATOM 848 C SER A 57 8.046 -0.868 -4.777 1.00 0.00 C ATOM 849 O SER A 57 8.976 -1.456 -4.226 1.00 0.00 O ATOM 850 CB SER A 57 8.340 -0.473 -7.230 1.00 0.00 C ATOM 851 OG SER A 57 8.096 0.916 -7.093 1.00 0.00 O ATOM 0 H SER A 57 5.888 -0.236 -6.848 1.00 0.00 H new ATOM 0 HA SER A 57 7.786 -2.335 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.409 -0.668 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.039 -0.802 -8.225 1.00 0.00 H new ATOM 0 HG SER A 57 8.595 1.405 -7.780 1.00 0.00 H new ATOM 857 N SER A 58 7.393 0.143 -4.212 1.00 0.00 N ATOM 858 CA SER A 58 7.743 0.632 -2.884 1.00 0.00 C ATOM 859 C SER A 58 7.019 -0.166 -1.803 1.00 0.00 C ATOM 860 O SER A 58 7.137 0.128 -0.614 1.00 0.00 O ATOM 861 CB SER A 58 7.396 2.116 -2.756 1.00 0.00 C ATOM 862 OG SER A 58 8.467 2.931 -3.201 1.00 0.00 O ATOM 0 H SER A 58 6.619 0.639 -4.654 1.00 0.00 H new ATOM 0 HA SER A 58 8.817 0.504 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.502 2.335 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.164 2.350 -1.717 1.00 0.00 H new ATOM 0 HG SER A 58 8.166 3.862 -3.262 1.00 0.00 H new ATOM 868 N VAL A 59 6.269 -1.179 -2.227 1.00 0.00 N ATOM 869 CA VAL A 59 5.527 -2.021 -1.297 1.00 0.00 C ATOM 870 C VAL A 59 5.641 -3.493 -1.677 1.00 0.00 C ATOM 871 O VAL A 59 5.984 -3.826 -2.811 1.00 0.00 O ATOM 872 CB VAL A 59 4.038 -1.629 -1.251 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.854 -0.319 -0.500 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.469 -1.532 -2.658 1.00 0.00 C ATOM 0 H VAL A 59 6.160 -1.436 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 59 5.967 -1.868 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 59 3.492 -2.406 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.796 -0.058 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.222 -0.430 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.412 0.470 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.416 -1.254 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.017 -0.776 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.566 -2.496 -3.157 1.00 0.00 H new ATOM 884 N GLU A 60 5.352 -4.370 -0.721 1.00 0.00 N ATOM 885 CA GLU A 60 5.423 -5.807 -0.957 1.00 0.00 C ATOM 886 C GLU A 60 4.107 -6.485 -0.586 1.00 0.00 C ATOM 887 O GLU A 60 3.548 -6.239 0.482 1.00 0.00 O ATOM 888 CB GLU A 60 6.570 -6.422 -0.152 1.00 0.00 C ATOM 889 CG GLU A 60 7.904 -6.398 -0.878 1.00 0.00 C ATOM 890 CD GLU A 60 8.064 -7.556 -1.844 1.00 0.00 C ATOM 891 OE1 GLU A 60 8.466 -8.650 -1.397 1.00 0.00 O ATOM 892 OE2 GLU A 60 7.787 -7.368 -3.047 1.00 0.00 O ATOM 0 H GLU A 60 5.067 -4.111 0.223 1.00 0.00 H new ATOM 0 HA GLU A 60 5.607 -5.966 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.670 -5.885 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.318 -7.454 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.000 -5.459 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.712 -6.426 -0.147 1.00 0.00 H new ATOM 899 N VAL A 61 3.617 -7.341 -1.478 1.00 0.00 N ATOM 900 CA VAL A 61 2.368 -8.055 -1.246 1.00 0.00 C ATOM 901 C VAL A 61 2.609 -9.349 -0.477 1.00 0.00 C ATOM 902 O VAL A 61 1.734 -10.212 -0.404 1.00 0.00 O ATOM 903 CB VAL A 61 1.654 -8.384 -2.571 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.269 -8.953 -2.306 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.572 -7.146 -3.452 1.00 0.00 C ATOM 0 H VAL A 61 4.067 -7.556 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 61 1.733 -7.396 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 61 2.235 -9.141 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.219 -9.179 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.357 -9.866 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.325 -8.223 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.065 -7.396 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.014 -6.366 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.578 -6.788 -3.671 1.00 0.00 H new ATOM 915 N ILE A 62 3.801 -9.477 0.095 1.00 0.00 N ATOM 916 CA ILE A 62 4.157 -10.666 0.860 1.00 0.00 C ATOM 917 C ILE A 62 3.399 -10.716 2.182 1.00 0.00 C ATOM 918 O ILE A 62 3.016 -11.789 2.649 1.00 0.00 O ATOM 919 CB ILE A 62 5.669 -10.719 1.146 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.113 -9.462 1.899 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.449 -10.869 -0.151 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.013 -9.591 3.402 1.00 0.00 C ATOM 0 H ILE A 62 4.537 -8.772 0.043 1.00 0.00 H new ATOM 0 HA ILE A 62 3.880 -11.527 0.252 1.00 0.00 H new ATOM 0 HB ILE A 62 5.874 -11.587 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.144 -9.232 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.503 -8.619 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.516 -10.905 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.150 -11.790 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.241 -10.019 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.344 -8.664 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.979 -9.790 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.645 -10.413 3.739 1.00 0.00 H new