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+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.347 K(o=-0.35,f=-6.1!) USER MOD Single : A 16 TYR OH : rot -15:sc= -1.27 USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= -0.0657 (180deg=-0.545) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= -0.047 (180deg=-0.656) USER MOD Single : A 27 ASN : amide:sc= -0.745 X(o=-0.75,f=-0.78) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 41 ASN : amide:sc= -0.542 K(o=-0.54,f=-0.031) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 48 ASN : amide:sc= -0.0935 K(o=-0.094,f=-2.1!) 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 -179:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.494 -8.743 1.634 1.00 0.00 N ATOM 67 CA PRO A 8 -5.063 -8.614 1.343 1.00 0.00 C ATOM 68 C PRO A 8 -4.452 -7.372 1.981 1.00 0.00 C ATOM 69 O PRO A 8 -5.168 -6.478 2.432 1.00 0.00 O ATOM 70 CB PRO A 8 -5.019 -8.509 -0.183 1.00 0.00 C ATOM 71 CG PRO A 8 -6.353 -7.964 -0.563 1.00 0.00 C ATOM 72 CD PRO A 8 -7.327 -8.515 0.441 1.00 0.00 C ATOM 0 HA PRO A 8 -4.489 -9.450 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.214 -7.851 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.843 -9.482 -0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.349 -6.874 -0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.624 -8.265 -1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.136 -7.813 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.787 -9.438 0.090 1.00 0.00 H new ATOM 80 N ARG A 9 -3.124 -7.322 2.015 1.00 0.00 N ATOM 81 CA ARG A 9 -2.416 -6.189 2.599 1.00 0.00 C ATOM 82 C ARG A 9 -1.084 -5.958 1.892 1.00 0.00 C ATOM 83 O ARG A 9 -0.639 -6.786 1.098 1.00 0.00 O ATOM 84 CB ARG A 9 -2.180 -6.422 4.092 1.00 0.00 C ATOM 85 CG ARG A 9 -3.355 -6.014 4.965 1.00 0.00 C ATOM 86 CD ARG A 9 -3.380 -6.799 6.268 1.00 0.00 C ATOM 87 NE ARG A 9 -4.127 -8.047 6.141 1.00 0.00 N ATOM 88 CZ ARG A 9 -3.935 -9.101 6.926 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.025 -9.058 7.890 1.00 0.00 N ATOM 90 NH2 ARG A 9 -4.654 -10.202 6.749 1.00 0.00 N ATOM 0 H ARG A 9 -2.517 -8.053 1.645 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.035 -5.301 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.965 -7.478 4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.296 -5.865 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.295 -4.948 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.286 -6.177 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.358 -7.018 6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.827 -6.187 7.051 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.835 -8.113 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.470 -8.214 8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.880 -9.869 8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.355 -10.240 6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.505 -11.011 7.353 1.00 0.00 H new ATOM 104 N ALA A 10 -0.452 -4.826 2.187 1.00 0.00 N ATOM 105 CA ALA A 10 0.830 -4.487 1.582 1.00 0.00 C ATOM 106 C ALA A 10 1.811 -3.968 2.628 1.00 0.00 C ATOM 107 O ALA A 10 1.424 -3.267 3.563 1.00 0.00 O ATOM 108 CB ALA A 10 0.636 -3.456 0.479 1.00 0.00 C ATOM 0 H ALA A 10 -0.807 -4.129 2.841 1.00 0.00 H new ATOM 0 HA ALA A 10 1.250 -5.394 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.601 -3.212 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.023 -3.863 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.191 -2.554 0.898 1.00 0.00 H new ATOM 114 N LYS A 11 3.082 -4.317 2.464 1.00 0.00 N ATOM 115 CA LYS A 11 4.120 -3.886 3.393 1.00 0.00 C ATOM 116 C LYS A 11 5.057 -2.879 2.734 1.00 0.00 C ATOM 117 O LYS A 11 5.449 -3.046 1.579 1.00 0.00 O ATOM 118 CB LYS A 11 4.919 -5.092 3.892 1.00 0.00 C ATOM 119 CG LYS A 11 6.138 -4.715 4.716 1.00 0.00 C ATOM 120 CD LYS A 11 6.564 -5.850 5.632 1.00 0.00 C ATOM 121 CE LYS A 11 8.031 -5.734 6.018 1.00 0.00 C ATOM 122 NZ LYS A 11 8.397 -6.690 7.100 1.00 0.00 N ATOM 0 H LYS A 11 3.419 -4.898 1.696 1.00 0.00 H new ATOM 0 HA LYS A 11 3.635 -3.403 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.267 -5.726 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.239 -5.685 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.961 -4.454 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.916 -3.829 5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.948 -5.844 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.392 -6.805 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.653 -5.921 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.241 -4.716 6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.404 -6.580 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.822 -6.496 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.221 -7.663 6.778 1.00 0.00 H new ATOM 136 N ALA A 12 5.414 -1.836 3.475 1.00 0.00 N ATOM 137 CA ALA A 12 6.308 -0.804 2.963 1.00 0.00 C ATOM 138 C ALA A 12 7.741 -1.316 2.873 1.00 0.00 C ATOM 139 O ALA A 12 8.224 -2.003 3.774 1.00 0.00 O ATOM 140 CB ALA A 12 6.242 0.435 3.843 1.00 0.00 C ATOM 0 H ALA A 12 5.098 -1.683 4.433 1.00 0.00 H new ATOM 0 HA ALA A 12 5.980 -0.539 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.914 1.197 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.222 0.820 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.542 0.176 4.859 1.00 0.00 H new ATOM 146 N LEU A 13 8.417 -0.978 1.781 1.00 0.00 N ATOM 147 CA LEU A 13 9.797 -1.404 1.572 1.00 0.00 C ATOM 148 C LEU A 13 10.774 -0.308 1.985 1.00 0.00 C ATOM 149 O LEU A 13 11.879 -0.590 2.449 1.00 0.00 O ATOM 150 CB LEU A 13 10.020 -1.776 0.105 1.00 0.00 C ATOM 151 CG LEU A 13 9.117 -2.877 -0.453 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.117 -2.847 -1.974 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.562 -4.241 0.055 1.00 0.00 C ATOM 0 H LEU A 13 8.032 -0.410 1.026 1.00 0.00 H new ATOM 0 HA LEU A 13 9.979 -2.280 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.884 -0.880 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.057 -2.088 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 13 8.100 -2.697 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.469 -3.637 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.750 -1.880 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.132 -3.002 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.908 -5.012 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.588 -4.430 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.510 -4.259 1.144 1.00 0.00 H new ATOM 165 N CYS A 14 10.358 0.942 1.815 1.00 0.00 N ATOM 166 CA CYS A 14 11.196 2.082 2.171 1.00 0.00 C ATOM 167 C CYS A 14 10.343 3.269 2.606 1.00 0.00 C ATOM 168 O CYS A 14 9.114 3.204 2.586 1.00 0.00 O ATOM 169 CB CYS A 14 12.081 2.479 0.990 1.00 0.00 C ATOM 170 SG CYS A 14 11.165 3.060 -0.457 1.00 0.00 S ATOM 0 H CYS A 14 9.446 1.192 1.433 1.00 0.00 H new ATOM 0 HA CYS A 14 11.830 1.788 3.007 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.767 3.263 1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.689 1.622 0.701 1.00 0.00 H new ATOM 0 HG CYS A 14 12.001 3.374 -1.402 1.00 0.00 H new ATOM 176 N ASN A 15 11.003 4.353 3.000 1.00 0.00 N ATOM 177 CA ASN A 15 10.306 5.555 3.442 1.00 0.00 C ATOM 178 C ASN A 15 9.549 6.201 2.286 1.00 0.00 C ATOM 179 O ASN A 15 10.146 6.605 1.288 1.00 0.00 O ATOM 180 CB ASN A 15 11.297 6.555 4.039 1.00 0.00 C ATOM 181 CG ASN A 15 12.404 6.921 3.069 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.865 6.085 2.292 1.00 0.00 O ATOM 183 ND2 ASN A 15 12.836 8.176 3.111 1.00 0.00 N ATOM 0 H ASN A 15 12.020 4.424 3.022 1.00 0.00 H new ATOM 0 HA ASN A 15 9.587 5.266 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.764 7.458 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.735 6.133 4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.579 8.481 2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.424 8.835 3.772 1.00 0.00 H new ATOM 190 N TYR A 16 8.231 6.294 2.427 1.00 0.00 N ATOM 191 CA TYR A 16 7.392 6.889 1.394 1.00 0.00 C ATOM 192 C TYR A 16 6.565 8.040 1.959 1.00 0.00 C ATOM 193 O TYR A 16 5.681 8.572 1.288 1.00 0.00 O ATOM 194 CB TYR A 16 6.467 5.832 0.787 1.00 0.00 C ATOM 195 CG TYR A 16 6.123 6.090 -0.662 1.00 0.00 C ATOM 196 CD1 TYR A 16 7.025 5.792 -1.676 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.893 6.630 -1.019 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.715 6.026 -3.001 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.573 6.866 -2.342 1.00 0.00 C ATOM 200 CZ TYR A 16 5.487 6.563 -3.329 1.00 0.00 C ATOM 201 OH TYR A 16 5.174 6.797 -4.648 1.00 0.00 O ATOM 0 H TYR A 16 7.721 5.965 3.247 1.00 0.00 H new ATOM 0 HA TYR A 16 8.044 7.283 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.942 4.854 0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.546 5.790 1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.986 5.370 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.175 6.869 -0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.429 5.790 -3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.612 7.285 -2.602 1.00 0.00 H new ATOM 0 HH TYR A 16 5.990 6.761 -5.189 1.00 0.00 H new ATOM 211 N ARG A 17 6.861 8.419 3.198 1.00 0.00 N ATOM 212 CA ARG A 17 6.145 9.506 3.856 1.00 0.00 C ATOM 213 C ARG A 17 6.724 10.859 3.452 1.00 0.00 C ATOM 214 O ARG A 17 6.705 11.811 4.232 1.00 0.00 O ATOM 215 CB ARG A 17 6.212 9.343 5.375 1.00 0.00 C ATOM 216 CG ARG A 17 5.021 9.943 6.105 1.00 0.00 C ATOM 217 CD ARG A 17 3.908 8.922 6.287 1.00 0.00 C ATOM 218 NE ARG A 17 4.048 8.177 7.535 1.00 0.00 N ATOM 219 CZ ARG A 17 3.044 7.539 8.126 1.00 0.00 C ATOM 220 NH1 ARG A 17 1.834 7.554 7.584 1.00 0.00 N ATOM 221 NH2 ARG A 17 3.250 6.882 9.261 1.00 0.00 N ATOM 0 H ARG A 17 7.591 7.990 3.766 1.00 0.00 H new ATOM 0 HA ARG A 17 5.103 9.466 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.278 8.282 5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.126 9.810 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.339 10.314 7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.643 10.799 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.944 9.430 6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.913 8.227 5.447 1.00 0.00 H new ATOM 0 HE ARG A 17 4.967 8.145 7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.672 8.056 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.065 7.063 8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.180 6.867 9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.478 6.392 9.714 1.00 0.00 H new ATOM 235 N GLY A 18 7.237 10.937 2.228 1.00 0.00 N ATOM 236 CA GLY A 18 7.814 12.177 1.743 1.00 0.00 C ATOM 237 C GLY A 18 6.771 13.118 1.172 1.00 0.00 C ATOM 238 O GLY A 18 5.654 13.202 1.683 1.00 0.00 O ATOM 0 H GLY A 18 7.263 10.163 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.339 12.674 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.556 11.953 0.976 1.00 0.00 H new ATOM 242 N LYS A 19 7.136 13.828 0.111 1.00 0.00 N ATOM 243 CA LYS A 19 6.224 14.768 -0.531 1.00 0.00 C ATOM 244 C LYS A 19 5.945 14.357 -1.973 1.00 0.00 C ATOM 245 O LYS A 19 6.802 14.496 -2.845 1.00 0.00 O ATOM 246 CB LYS A 19 6.810 16.182 -0.497 1.00 0.00 C ATOM 247 CG LYS A 19 7.026 16.717 0.908 1.00 0.00 C ATOM 248 CD LYS A 19 8.367 16.277 1.471 1.00 0.00 C ATOM 249 CE LYS A 19 8.400 16.391 2.988 1.00 0.00 C ATOM 250 NZ LYS A 19 7.625 15.301 3.642 1.00 0.00 N ATOM 0 H LYS A 19 8.057 13.771 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 19 5.283 14.757 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.762 16.185 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.143 16.856 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.975 17.806 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.225 16.367 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.565 15.246 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.161 16.888 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.434 16.359 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.994 17.357 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.267 15.633 4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.825 15.032 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.241 14.476 3.788 1.00 0.00 H new ATOM 264 N ASN A 20 4.740 13.852 -2.217 1.00 0.00 N ATOM 265 CA ASN A 20 4.348 13.422 -3.554 1.00 0.00 C ATOM 266 C ASN A 20 2.992 14.007 -3.938 1.00 0.00 C ATOM 267 O ASN A 20 2.137 14.265 -3.091 1.00 0.00 O ATOM 268 CB ASN A 20 4.296 11.894 -3.626 1.00 0.00 C ATOM 269 CG ASN A 20 5.642 11.286 -3.970 1.00 0.00 C ATOM 270 OD1 ASN A 20 6.006 11.177 -5.141 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.388 10.884 -2.947 1.00 0.00 N ATOM 0 H ASN A 20 4.018 13.731 -1.506 1.00 0.00 H new ATOM 0 HA ASN A 20 5.094 13.787 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.956 11.499 -2.669 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.562 11.593 -4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.303 10.465 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.046 10.994 -1.992 1.00 0.00 H new ATOM 278 N PRO A 21 2.789 14.220 -5.247 1.00 0.00 N ATOM 279 CA PRO A 21 1.539 14.776 -5.773 1.00 0.00 C ATOM 280 C PRO A 21 0.374 13.799 -5.652 1.00 0.00 C ATOM 281 O PRO A 21 0.367 12.745 -6.286 1.00 0.00 O ATOM 282 CB PRO A 21 1.862 15.043 -7.245 1.00 0.00 C ATOM 283 CG PRO A 21 2.957 14.087 -7.572 1.00 0.00 C ATOM 284 CD PRO A 21 3.764 13.936 -6.313 1.00 0.00 C ATOM 0 HA PRO A 21 1.224 15.663 -5.224 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.990 14.878 -7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.178 16.075 -7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.554 13.127 -7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.574 14.464 -8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.180 12.933 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.602 14.632 -6.287 1.00 0.00 H new ATOM 292 N GLY A 22 -0.610 14.157 -4.833 1.00 0.00 N ATOM 293 CA GLY A 22 -1.767 13.301 -4.644 1.00 0.00 C ATOM 294 C GLY A 22 -1.386 11.848 -4.446 1.00 0.00 C ATOM 295 O GLY A 22 -1.888 10.966 -5.144 1.00 0.00 O ATOM 0 H GLY A 22 -0.627 15.025 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.333 13.646 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.424 13.387 -5.510 1.00 0.00 H new ATOM 299 N ASP A 23 -0.496 11.596 -3.493 1.00 0.00 N ATOM 300 CA ASP A 23 -0.047 10.238 -3.205 1.00 0.00 C ATOM 301 C ASP A 23 -0.293 9.884 -1.741 1.00 0.00 C ATOM 302 O ASP A 23 -0.781 10.707 -0.966 1.00 0.00 O ATOM 303 CB ASP A 23 1.439 10.089 -3.536 1.00 0.00 C ATOM 304 CG ASP A 23 1.674 9.726 -4.989 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.523 8.536 -5.336 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.009 10.633 -5.779 1.00 0.00 O ATOM 0 H ASP A 23 -0.071 12.314 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.621 9.551 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.954 11.023 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.875 9.321 -2.897 1.00 0.00 H new ATOM 311 N LEU A 24 0.047 8.654 -1.371 1.00 0.00 N ATOM 312 CA LEU A 24 -0.138 8.190 -0.001 1.00 0.00 C ATOM 313 C LEU A 24 1.198 8.112 0.733 1.00 0.00 C ATOM 314 O LEU A 24 2.120 7.424 0.294 1.00 0.00 O ATOM 315 CB LEU A 24 -0.817 6.819 0.007 1.00 0.00 C ATOM 316 CG LEU A 24 -1.498 6.415 1.315 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.503 5.299 1.071 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.464 5.988 2.346 1.00 0.00 C ATOM 0 H LEU A 24 0.452 7.961 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.775 8.908 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.562 6.800 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.070 6.064 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.034 7.280 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.978 5.025 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.263 5.641 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.990 4.431 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.967 5.704 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.101 5.137 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.217 6.816 2.543 1.00 0.00 H new ATOM 330 N LYS A 25 1.294 8.820 1.853 1.00 0.00 N ATOM 331 CA LYS A 25 2.514 8.829 2.651 1.00 0.00 C ATOM 332 C LYS A 25 2.532 7.662 3.633 1.00 0.00 C ATOM 333 O LYS A 25 1.618 7.507 4.444 1.00 0.00 O ATOM 334 CB LYS A 25 2.641 10.151 3.411 1.00 0.00 C ATOM 335 CG LYS A 25 3.147 11.299 2.554 1.00 0.00 C ATOM 336 CD LYS A 25 2.676 12.642 3.088 1.00 0.00 C ATOM 337 CE LYS A 25 1.342 13.047 2.480 1.00 0.00 C ATOM 338 NZ LYS A 25 0.192 12.552 3.287 1.00 0.00 N ATOM 0 H LYS A 25 0.541 9.396 2.229 1.00 0.00 H new ATOM 0 HA LYS A 25 3.361 8.723 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.668 10.418 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.318 10.012 4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.236 11.280 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.798 11.171 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.582 12.591 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.423 13.404 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.292 14.133 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.270 12.653 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.573 13.256 3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.153 11.656 2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.498 12.397 4.269 1.00 0.00 H new ATOM 352 N PHE A 26 3.577 6.845 3.555 1.00 0.00 N ATOM 353 CA PHE A 26 3.713 5.692 4.438 1.00 0.00 C ATOM 354 C PHE A 26 5.172 5.473 4.824 1.00 0.00 C ATOM 355 O PHE A 26 6.084 5.846 4.087 1.00 0.00 O ATOM 356 CB PHE A 26 3.158 4.437 3.761 1.00 0.00 C ATOM 357 CG PHE A 26 3.851 4.094 2.473 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.983 3.296 2.471 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.369 4.571 1.264 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.623 2.979 1.288 1.00 0.00 C ATOM 361 CE2 PHE A 26 4.004 4.256 0.078 1.00 0.00 C ATOM 362 CZ PHE A 26 5.133 3.460 0.089 1.00 0.00 C ATOM 0 H PHE A 26 4.342 6.960 2.890 1.00 0.00 H new ATOM 0 HA PHE A 26 3.142 5.890 5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.246 3.595 4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.095 4.579 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.370 2.917 3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.488 5.195 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.505 2.356 1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.618 4.632 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.631 3.214 -0.837 1.00 0.00 H new ATOM 372 N ASN A 27 5.385 4.864 5.987 1.00 0.00 N ATOM 373 CA ASN A 27 6.734 4.596 6.473 1.00 0.00 C ATOM 374 C ASN A 27 7.122 3.141 6.224 1.00 0.00 C ATOM 375 O ASN A 27 6.262 2.283 6.024 1.00 0.00 O ATOM 376 CB ASN A 27 6.833 4.914 7.966 1.00 0.00 C ATOM 377 CG ASN A 27 7.237 6.352 8.225 1.00 0.00 C ATOM 378 OD1 ASN A 27 8.098 6.900 7.537 1.00 0.00 O ATOM 379 ND2 ASN A 27 6.614 6.971 9.222 1.00 0.00 N ATOM 0 H ASN A 27 4.641 4.547 6.609 1.00 0.00 H new ATOM 0 HA ASN A 27 7.425 5.237 5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.872 4.718 8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.559 4.246 8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.843 7.940 9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.906 6.477 9.766 1.00 0.00 H new ATOM 386 N LYS A 28 8.423 2.871 6.240 1.00 0.00 N ATOM 387 CA LYS A 28 8.927 1.520 6.018 1.00 0.00 C ATOM 388 C LYS A 28 8.386 0.558 7.071 1.00 0.00 C ATOM 389 O LYS A 28 8.382 0.865 8.263 1.00 0.00 O ATOM 390 CB LYS A 28 10.457 1.514 6.044 1.00 0.00 C ATOM 391 CG LYS A 28 11.060 0.120 6.025 1.00 0.00 C ATOM 392 CD LYS A 28 12.439 0.101 6.662 1.00 0.00 C ATOM 393 CE LYS A 28 13.299 -1.019 6.095 1.00 0.00 C ATOM 394 NZ LYS A 28 14.625 -1.095 6.768 1.00 0.00 N ATOM 0 H LYS A 28 9.148 3.570 6.404 1.00 0.00 H new ATOM 0 HA LYS A 28 8.585 1.188 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.829 2.073 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.799 2.037 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.403 -0.569 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.128 -0.234 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.931 1.059 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.341 -0.024 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.779 -1.970 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.443 -0.861 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.181 -1.870 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.133 -0.197 6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.489 -1.271 7.784 1.00 0.00 H new ATOM 408 N GLY A 29 7.930 -0.608 6.623 1.00 0.00 N ATOM 409 CA GLY A 29 7.395 -1.597 7.540 1.00 0.00 C ATOM 410 C GLY A 29 5.889 -1.499 7.684 1.00 0.00 C ATOM 411 O GLY A 29 5.200 -2.515 7.775 1.00 0.00 O ATOM 0 H GLY A 29 7.922 -0.885 5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.659 -2.594 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.859 -1.470 8.518 1.00 0.00 H new ATOM 415 N ASP A 30 5.377 -0.273 7.707 1.00 0.00 N ATOM 416 CA ASP A 30 3.943 -0.046 7.842 1.00 0.00 C ATOM 417 C ASP A 30 3.157 -0.960 6.907 1.00 0.00 C ATOM 418 O ASP A 30 3.676 -1.417 5.888 1.00 0.00 O ATOM 419 CB ASP A 30 3.607 1.417 7.546 1.00 0.00 C ATOM 420 CG ASP A 30 3.793 2.310 8.757 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.772 2.100 9.505 1.00 0.00 O ATOM 422 OD2 ASP A 30 2.960 3.218 8.958 1.00 0.00 O ATOM 0 H ASP A 30 5.934 0.579 7.634 1.00 0.00 H new ATOM 0 HA ASP A 30 3.659 -0.276 8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.240 1.775 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.575 1.487 7.201 1.00 0.00 H new ATOM 427 N VAL A 31 1.904 -1.224 7.261 1.00 0.00 N ATOM 428 CA VAL A 31 1.046 -2.084 6.454 1.00 0.00 C ATOM 429 C VAL A 31 -0.158 -1.315 5.922 1.00 0.00 C ATOM 430 O VAL A 31 -0.886 -0.678 6.683 1.00 0.00 O ATOM 431 CB VAL A 31 0.550 -3.298 7.261 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.374 -4.160 6.415 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.727 -4.111 7.777 1.00 0.00 C ATOM 0 H VAL A 31 1.460 -0.855 8.102 1.00 0.00 H new ATOM 0 HA VAL A 31 1.648 -2.436 5.616 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.016 -2.935 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.714 -5.013 7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.234 -3.570 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.164 -4.516 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.358 -4.965 8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.322 -4.465 6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.346 -3.487 8.421 1.00 0.00 H new ATOM 443 N ILE A 32 -0.361 -1.380 4.610 1.00 0.00 N ATOM 444 CA ILE A 32 -1.478 -0.691 3.976 1.00 0.00 C ATOM 445 C ILE A 32 -2.561 -1.676 3.549 1.00 0.00 C ATOM 446 O ILE A 32 -2.274 -2.699 2.926 1.00 0.00 O ATOM 447 CB ILE A 32 -1.018 0.113 2.746 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.127 1.055 3.123 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.183 0.897 2.159 1.00 0.00 C ATOM 450 CD1 ILE A 32 1.081 1.334 1.983 1.00 0.00 C ATOM 0 H ILE A 32 0.233 -1.902 3.966 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.887 -0.004 4.717 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.656 -0.584 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.291 1.998 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.684 0.622 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.842 1.460 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.971 0.207 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.572 1.586 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.867 2.009 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.527 0.399 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.538 1.796 1.159 1.00 0.00 H new ATOM 462 N LEU A 33 -3.806 -1.361 3.888 1.00 0.00 N ATOM 463 CA LEU A 33 -4.934 -2.218 3.539 1.00 0.00 C ATOM 464 C LEU A 33 -5.406 -1.943 2.114 1.00 0.00 C ATOM 465 O LEU A 33 -5.831 -0.832 1.793 1.00 0.00 O ATOM 466 CB LEU A 33 -6.087 -2.002 4.521 1.00 0.00 C ATOM 467 CG LEU A 33 -5.948 -2.688 5.880 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.228 -1.779 6.865 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.314 -3.086 6.420 1.00 0.00 C ATOM 0 H LEU A 33 -4.060 -0.519 4.404 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.603 -3.255 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.201 -0.931 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.007 -2.351 4.053 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.354 -3.593 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.138 -2.284 7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.234 -1.544 6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.795 -0.857 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.195 -3.573 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.933 -2.196 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.794 -3.774 5.724 1.00 0.00 H new ATOM 481 N LEU A 34 -5.331 -2.961 1.265 1.00 0.00 N ATOM 482 CA LEU A 34 -5.752 -2.831 -0.126 1.00 0.00 C ATOM 483 C LEU A 34 -7.246 -2.533 -0.216 1.00 0.00 C ATOM 484 O LEU A 34 -8.078 -3.405 0.033 1.00 0.00 O ATOM 485 CB LEU A 34 -5.427 -4.109 -0.900 1.00 0.00 C ATOM 486 CG LEU A 34 -3.989 -4.244 -1.400 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.783 -5.589 -2.079 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.645 -3.106 -2.350 1.00 0.00 C ATOM 0 H LEU A 34 -4.982 -3.886 1.515 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.206 -1.998 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.650 -4.963 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.096 -4.170 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.320 -4.188 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.753 -5.666 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.986 -6.390 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.461 -5.676 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.617 -3.219 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.320 -3.129 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.751 -2.154 -1.830 1.00 0.00 H new ATOM 500 N ARG A 35 -7.577 -1.298 -0.575 1.00 0.00 N ATOM 501 CA ARG A 35 -8.970 -0.886 -0.700 1.00 0.00 C ATOM 502 C ARG A 35 -9.472 -1.091 -2.126 1.00 0.00 C ATOM 503 O ARG A 35 -10.503 -1.727 -2.346 1.00 0.00 O ATOM 504 CB ARG A 35 -9.128 0.582 -0.298 1.00 0.00 C ATOM 505 CG ARG A 35 -10.527 1.129 -0.529 1.00 0.00 C ATOM 506 CD ARG A 35 -11.569 0.337 0.245 1.00 0.00 C ATOM 507 NE ARG A 35 -12.895 0.943 0.155 1.00 0.00 N ATOM 508 CZ ARG A 35 -13.232 2.068 0.776 1.00 0.00 C ATOM 509 NH1 ARG A 35 -12.345 2.707 1.527 1.00 0.00 N ATOM 510 NH2 ARG A 35 -14.459 2.558 0.645 1.00 0.00 N ATOM 0 H ARG A 35 -6.900 -0.565 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.567 -1.505 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.874 0.691 0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.414 1.183 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.564 2.175 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.760 1.097 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.609 -0.682 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.271 0.271 1.291 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.600 0.477 -0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.401 2.335 1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.607 3.571 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.144 2.071 0.067 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.717 3.422 1.122 1.00 0.00 H new ATOM 524 N ARG A 36 -8.737 -0.548 -3.091 1.00 0.00 N ATOM 525 CA ARG A 36 -9.109 -0.669 -4.495 1.00 0.00 C ATOM 526 C ARG A 36 -7.869 -0.787 -5.377 1.00 0.00 C ATOM 527 O ARG A 36 -7.008 0.093 -5.374 1.00 0.00 O ATOM 528 CB ARG A 36 -9.945 0.536 -4.930 1.00 0.00 C ATOM 529 CG ARG A 36 -10.467 0.433 -6.354 1.00 0.00 C ATOM 530 CD ARG A 36 -10.903 1.789 -6.886 1.00 0.00 C ATOM 531 NE ARG A 36 -12.252 2.140 -6.449 1.00 0.00 N ATOM 532 CZ ARG A 36 -13.013 3.039 -7.063 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.561 3.673 -8.136 1.00 0.00 N ATOM 534 NH2 ARG A 36 -14.230 3.304 -6.605 1.00 0.00 N ATOM 0 H ARG A 36 -7.880 -0.020 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.704 -1.575 -4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.789 0.646 -4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.341 1.439 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.691 0.020 -6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.308 -0.259 -6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.202 2.553 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.865 1.780 -7.975 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.630 1.669 -5.627 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.627 3.471 -8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.148 4.363 -8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.582 2.817 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.813 3.995 -7.077 1.00 0.00 H new ATOM 548 N GLN A 37 -7.786 -1.878 -6.131 1.00 0.00 N ATOM 549 CA GLN A 37 -6.652 -2.110 -7.017 1.00 0.00 C ATOM 550 C GLN A 37 -6.907 -1.514 -8.397 1.00 0.00 C ATOM 551 O GLN A 37 -7.554 -2.134 -9.243 1.00 0.00 O ATOM 552 CB GLN A 37 -6.372 -3.609 -7.140 1.00 0.00 C ATOM 553 CG GLN A 37 -5.260 -3.942 -8.121 1.00 0.00 C ATOM 554 CD GLN A 37 -5.087 -5.435 -8.323 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.604 -6.241 -7.550 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.356 -5.811 -9.366 1.00 0.00 N ATOM 0 H GLN A 37 -8.491 -2.615 -6.146 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.780 -1.618 -6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.109 -4.003 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.285 -4.116 -7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.475 -3.472 -9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.323 -3.517 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.946 -5.108 -9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.205 -6.802 -9.552 1.00 0.00 H new ATOM 565 N LEU A 38 -6.398 -0.308 -8.618 1.00 0.00 N ATOM 566 CA LEU A 38 -6.571 0.373 -9.897 1.00 0.00 C ATOM 567 C LEU A 38 -6.021 -0.470 -11.042 1.00 0.00 C ATOM 568 O LEU A 38 -6.741 -0.800 -11.985 1.00 0.00 O ATOM 569 CB LEU A 38 -5.874 1.735 -9.870 1.00 0.00 C ATOM 570 CG LEU A 38 -6.307 2.689 -8.757 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.376 3.890 -8.691 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.745 3.138 -8.969 1.00 0.00 C ATOM 0 H LEU A 38 -5.862 0.219 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.638 0.521 -10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.800 1.569 -9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.043 2.226 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.250 2.158 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.700 4.558 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.359 3.552 -8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.401 4.422 -9.642 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.036 3.817 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.828 3.651 -9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.402 2.268 -8.965 1.00 0.00 H new ATOM 584 N ASP A 39 -4.742 -0.818 -10.953 1.00 0.00 N ATOM 585 CA ASP A 39 -4.096 -1.626 -11.980 1.00 0.00 C ATOM 586 C ASP A 39 -2.938 -2.427 -11.393 1.00 0.00 C ATOM 587 O ASP A 39 -2.709 -2.409 -10.184 1.00 0.00 O ATOM 588 CB ASP A 39 -3.592 -0.736 -13.118 1.00 0.00 C ATOM 589 CG ASP A 39 -3.570 -1.458 -14.451 1.00 0.00 C ATOM 590 OD1 ASP A 39 -4.444 -2.322 -14.673 1.00 0.00 O ATOM 591 OD2 ASP A 39 -2.679 -1.158 -15.273 1.00 0.00 O ATOM 0 H ASP A 39 -4.132 -0.553 -10.180 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.834 -2.324 -12.375 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.229 0.145 -13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.588 -0.384 -12.882 1.00 0.00 H new ATOM 596 N GLU A 40 -2.211 -3.128 -12.258 1.00 0.00 N ATOM 597 CA GLU A 40 -1.078 -3.937 -11.823 1.00 0.00 C ATOM 598 C GLU A 40 0.185 -3.088 -11.713 1.00 0.00 C ATOM 599 O GLU A 40 1.299 -3.594 -11.841 1.00 0.00 O ATOM 600 CB GLU A 40 -0.845 -5.093 -12.798 1.00 0.00 C ATOM 601 CG GLU A 40 -0.565 -4.642 -14.222 1.00 0.00 C ATOM 602 CD GLU A 40 -0.969 -5.678 -15.252 1.00 0.00 C ATOM 603 OE1 GLU A 40 -2.186 -5.866 -15.459 1.00 0.00 O ATOM 604 OE2 GLU A 40 -0.068 -6.301 -15.852 1.00 0.00 O ATOM 0 H GLU A 40 -2.386 -3.152 -13.263 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.310 -4.343 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.006 -5.692 -12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.722 -5.740 -12.797 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.101 -3.713 -14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.498 -4.425 -14.328 1.00 0.00 H new ATOM 611 N ASN A 41 0.002 -1.794 -11.473 1.00 0.00 N ATOM 612 CA ASN A 41 1.126 -0.873 -11.346 1.00 0.00 C ATOM 613 C ASN A 41 1.003 -0.036 -10.076 1.00 0.00 C ATOM 614 O ASN A 41 2.006 0.349 -9.475 1.00 0.00 O ATOM 615 CB ASN A 41 1.203 0.043 -12.569 1.00 0.00 C ATOM 616 CG ASN A 41 1.337 -0.733 -13.865 1.00 0.00 C ATOM 617 OD1 ASN A 41 2.413 -0.788 -14.460 1.00 0.00 O ATOM 618 ND2 ASN A 41 0.241 -1.337 -14.309 1.00 0.00 N ATOM 0 H ASN A 41 -0.914 -1.359 -11.362 1.00 0.00 H new ATOM 0 HA ASN A 41 2.041 -1.462 -11.284 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.308 0.664 -12.611 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.053 0.716 -12.462 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.270 -1.873 -15.176 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.630 -1.265 -13.783 1.00 0.00 H new ATOM 625 N TRP A 42 -0.232 0.241 -9.675 1.00 0.00 N ATOM 626 CA TRP A 42 -0.487 1.032 -8.476 1.00 0.00 C ATOM 627 C TRP A 42 -1.524 0.355 -7.587 1.00 0.00 C ATOM 628 O TRP A 42 -2.192 -0.591 -8.006 1.00 0.00 O ATOM 629 CB TRP A 42 -0.961 2.435 -8.857 1.00 0.00 C ATOM 630 CG TRP A 42 0.098 3.259 -9.525 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.787 2.945 -10.661 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.590 4.533 -9.095 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.677 3.947 -10.964 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.576 4.933 -10.019 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.293 5.376 -8.021 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.264 6.137 -9.898 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.977 6.571 -7.902 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.953 6.943 -8.837 1.00 0.00 C ATOM 0 H TRP A 42 -1.073 -0.070 -10.162 1.00 0.00 H new ATOM 0 HA TRP A 42 0.446 1.111 -7.918 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.820 2.352 -9.522 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.301 2.952 -7.960 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.652 2.041 -11.237 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.310 3.955 -11.763 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.458 5.099 -7.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.017 6.425 -10.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.756 7.229 -7.075 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.469 7.884 -8.718 1.00 0.00 H new ATOM 649 N TYR A 43 -1.655 0.845 -6.360 1.00 0.00 N ATOM 650 CA TYR A 43 -2.610 0.285 -5.411 1.00 0.00 C ATOM 651 C TYR A 43 -3.184 1.373 -4.509 1.00 0.00 C ATOM 652 O TYR A 43 -2.442 2.144 -3.900 1.00 0.00 O ATOM 653 CB TYR A 43 -1.943 -0.798 -4.561 1.00 0.00 C ATOM 654 CG TYR A 43 -1.425 -1.967 -5.368 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.266 -2.679 -6.215 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.094 -2.359 -5.285 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.797 -3.749 -6.953 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.383 -3.426 -6.020 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.472 -4.118 -6.852 1.00 0.00 C ATOM 660 OH TYR A 43 -0.001 -5.182 -7.587 1.00 0.00 O ATOM 0 H TYR A 43 -1.112 1.629 -5.999 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.427 -0.160 -5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.116 -0.355 -4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.660 -1.164 -3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.304 -2.391 -6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.579 -1.820 -4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.464 -4.293 -7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.420 -3.717 -5.944 1.00 0.00 H new ATOM 0 HH TYR A 43 0.953 -5.310 -7.402 1.00 0.00 H new ATOM 670 N GLN A 44 -4.509 1.429 -4.429 1.00 0.00 N ATOM 671 CA GLN A 44 -5.183 2.423 -3.601 1.00 0.00 C ATOM 672 C GLN A 44 -5.640 1.812 -2.281 1.00 0.00 C ATOM 673 O GLN A 44 -6.503 0.936 -2.256 1.00 0.00 O ATOM 674 CB GLN A 44 -6.383 3.009 -4.347 1.00 0.00 C ATOM 675 CG GLN A 44 -7.032 4.181 -3.629 1.00 0.00 C ATOM 676 CD GLN A 44 -8.280 4.677 -4.332 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.439 4.500 -5.540 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.176 5.302 -3.577 1.00 0.00 N ATOM 0 H GLN A 44 -5.137 0.798 -4.927 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.473 3.221 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.062 3.333 -5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.127 2.226 -4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.287 3.883 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.314 4.998 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.004 5.427 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.036 5.657 -3.995 1.00 0.00 H new ATOM 687 N GLY A 45 -5.053 2.281 -1.183 1.00 0.00 N ATOM 688 CA GLY A 45 -5.412 1.769 0.126 1.00 0.00 C ATOM 689 C GLY A 45 -5.587 2.872 1.152 1.00 0.00 C ATOM 690 O GLY A 45 -5.787 4.032 0.796 1.00 0.00 O ATOM 0 H GLY A 45 -4.336 3.006 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.338 1.199 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.640 1.079 0.467 1.00 0.00 H new ATOM 694 N GLU A 46 -5.512 2.508 2.428 1.00 0.00 N ATOM 695 CA GLU A 46 -5.665 3.475 3.508 1.00 0.00 C ATOM 696 C GLU A 46 -4.871 3.048 4.739 1.00 0.00 C ATOM 697 O GLU A 46 -4.981 1.911 5.198 1.00 0.00 O ATOM 698 CB GLU A 46 -7.143 3.637 3.872 1.00 0.00 C ATOM 699 CG GLU A 46 -7.369 4.292 5.224 1.00 0.00 C ATOM 700 CD GLU A 46 -8.788 4.798 5.397 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.155 5.778 4.715 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.530 4.215 6.215 1.00 0.00 O ATOM 0 H GLU A 46 -5.346 1.551 2.739 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.276 4.432 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.635 4.232 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.619 2.656 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.144 3.575 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.674 5.123 5.342 1.00 0.00 H new ATOM 709 N ILE A 47 -4.071 3.968 5.268 1.00 0.00 N ATOM 710 CA ILE A 47 -3.259 3.687 6.445 1.00 0.00 C ATOM 711 C ILE A 47 -3.512 4.712 7.546 1.00 0.00 C ATOM 712 O ILE A 47 -3.466 5.917 7.307 1.00 0.00 O ATOM 713 CB ILE A 47 -1.757 3.678 6.104 1.00 0.00 C ATOM 714 CG1 ILE A 47 -0.935 3.276 7.331 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.322 5.043 5.592 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.491 2.891 7.003 1.00 0.00 C ATOM 0 H ILE A 47 -3.968 4.914 4.900 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.549 2.698 6.799 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.583 2.944 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.925 4.104 8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.424 2.438 7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.258 5.021 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.888 5.292 4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.507 5.795 6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.014 2.618 7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.491 2.042 6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.997 3.735 6.534 1.00 0.00 H new ATOM 728 N ASN A 48 -3.779 4.222 8.752 1.00 0.00 N ATOM 729 CA ASN A 48 -4.038 5.096 9.891 1.00 0.00 C ATOM 730 C ASN A 48 -5.155 6.086 9.573 1.00 0.00 C ATOM 731 O ASN A 48 -5.150 7.218 10.055 1.00 0.00 O ATOM 732 CB ASN A 48 -2.767 5.852 10.281 1.00 0.00 C ATOM 733 CG ASN A 48 -1.852 5.027 11.165 1.00 0.00 C ATOM 734 OD1 ASN A 48 -2.241 3.973 11.668 1.00 0.00 O ATOM 735 ND2 ASN A 48 -0.627 5.504 11.358 1.00 0.00 N ATOM 0 H ASN A 48 -3.822 3.226 8.966 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.354 4.475 10.729 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.230 6.144 9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.039 6.771 10.801 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.033 4.992 11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.347 6.382 10.921 1.00 0.00 H new ATOM 742 N GLY A 49 -6.111 5.650 8.759 1.00 0.00 N ATOM 743 CA GLY A 49 -7.221 6.510 8.391 1.00 0.00 C ATOM 744 C GLY A 49 -6.848 7.511 7.316 1.00 0.00 C ATOM 745 O GLY A 49 -7.503 8.541 7.161 1.00 0.00 O ATOM 0 H GLY A 49 -6.137 4.717 8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.051 5.897 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.571 7.044 9.274 1.00 0.00 H new ATOM 749 N VAL A 50 -5.789 7.209 6.570 1.00 0.00 N ATOM 750 CA VAL A 50 -5.328 8.090 5.504 1.00 0.00 C ATOM 751 C VAL A 50 -5.435 7.410 4.144 1.00 0.00 C ATOM 752 O VAL A 50 -4.716 6.453 3.859 1.00 0.00 O ATOM 753 CB VAL A 50 -3.870 8.532 5.731 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.414 9.462 4.618 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.722 9.200 7.090 1.00 0.00 C ATOM 0 H VAL A 50 -5.235 6.361 6.685 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.973 8.969 5.520 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.234 7.647 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.382 9.764 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.481 8.944 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.052 10.346 4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.686 9.506 7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.369 10.076 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.005 8.497 7.874 1.00 0.00 H new ATOM 765 N SER A 51 -6.339 7.910 3.307 1.00 0.00 N ATOM 766 CA SER A 51 -6.543 7.349 1.977 1.00 0.00 C ATOM 767 C SER A 51 -5.609 8.002 0.962 1.00 0.00 C ATOM 768 O SER A 51 -5.483 9.225 0.916 1.00 0.00 O ATOM 769 CB SER A 51 -7.998 7.532 1.541 1.00 0.00 C ATOM 770 OG SER A 51 -8.338 8.906 1.465 1.00 0.00 O ATOM 0 H SER A 51 -6.942 8.703 3.527 1.00 0.00 H new ATOM 0 HA SER A 51 -6.316 6.284 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.152 7.062 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.659 7.029 2.247 1.00 0.00 H new ATOM 0 HG SER A 51 -9.272 8.997 1.183 1.00 0.00 H new ATOM 776 N GLY A 52 -4.957 7.176 0.150 1.00 0.00 N ATOM 777 CA GLY A 52 -4.043 7.690 -0.853 1.00 0.00 C ATOM 778 C GLY A 52 -3.639 6.635 -1.864 1.00 0.00 C ATOM 779 O GLY A 52 -4.101 5.496 -1.800 1.00 0.00 O ATOM 0 H GLY A 52 -5.045 6.160 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.511 8.526 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.151 8.079 -0.362 1.00 0.00 H new ATOM 783 N ILE A 53 -2.776 7.015 -2.800 1.00 0.00 N ATOM 784 CA ILE A 53 -2.311 6.094 -3.829 1.00 0.00 C ATOM 785 C ILE A 53 -0.800 5.906 -3.757 1.00 0.00 C ATOM 786 O ILE A 53 -0.061 6.840 -3.443 1.00 0.00 O ATOM 787 CB ILE A 53 -2.689 6.587 -5.239 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.069 7.960 -5.506 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.201 6.644 -5.393 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.048 8.339 -6.970 1.00 0.00 C ATOM 0 H ILE A 53 -2.385 7.955 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.803 5.139 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.295 5.882 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.626 8.715 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.049 7.970 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.452 6.994 -6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.620 5.649 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.616 7.330 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.595 9.324 -7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.466 7.605 -7.528 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.068 8.362 -7.355 1.00 0.00 H new ATOM 802 N PHE A 54 -0.345 4.692 -4.050 1.00 0.00 N ATOM 803 CA PHE A 54 1.079 4.381 -4.019 1.00 0.00 C ATOM 804 C PHE A 54 1.447 3.403 -5.132 1.00 0.00 C ATOM 805 O PHE A 54 0.617 2.632 -5.615 1.00 0.00 O ATOM 806 CB PHE A 54 1.465 3.793 -2.660 1.00 0.00 C ATOM 807 CG PHE A 54 0.476 2.789 -2.139 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.609 3.196 -1.380 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.632 1.439 -2.409 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.520 2.274 -0.899 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.276 0.513 -1.931 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.354 0.931 -1.175 1.00 0.00 C ATOM 0 H PHE A 54 -0.942 3.908 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 54 1.631 5.308 -4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.443 3.319 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.564 4.603 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.745 4.245 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.473 1.106 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.361 2.604 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.143 -0.536 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.065 0.209 -0.801 1.00 0.00 H new ATOM 822 N PRO A 55 2.721 3.436 -5.550 1.00 0.00 N ATOM 823 CA PRO A 55 3.228 2.560 -6.610 1.00 0.00 C ATOM 824 C PRO A 55 3.307 1.102 -6.170 1.00 0.00 C ATOM 825 O PRO A 55 3.431 0.809 -4.981 1.00 0.00 O ATOM 826 CB PRO A 55 4.629 3.112 -6.886 1.00 0.00 C ATOM 827 CG PRO A 55 5.030 3.779 -5.616 1.00 0.00 C ATOM 828 CD PRO A 55 3.764 4.329 -5.020 1.00 0.00 C ATOM 0 HA PRO A 55 2.576 2.558 -7.483 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.324 2.315 -7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.620 3.817 -7.718 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.506 3.072 -4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.751 4.575 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.792 4.312 -3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.596 5.364 -5.318 1.00 0.00 H new ATOM 836 N ALA A 56 3.235 0.192 -7.136 1.00 0.00 N ATOM 837 CA ALA A 56 3.300 -1.235 -6.848 1.00 0.00 C ATOM 838 C ALA A 56 4.746 -1.713 -6.766 1.00 0.00 C ATOM 839 O ALA A 56 5.024 -2.905 -6.894 1.00 0.00 O ATOM 840 CB ALA A 56 2.541 -2.023 -7.905 1.00 0.00 C ATOM 0 H ALA A 56 3.132 0.418 -8.125 1.00 0.00 H new ATOM 0 HA ALA A 56 2.832 -1.406 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.598 -3.087 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.497 -1.709 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.983 -1.838 -8.884 1.00 0.00 H new ATOM 846 N SER A 57 5.663 -0.774 -6.553 1.00 0.00 N ATOM 847 CA SER A 57 7.082 -1.099 -6.459 1.00 0.00 C ATOM 848 C SER A 57 7.618 -0.794 -5.064 1.00 0.00 C ATOM 849 O SER A 57 8.413 -1.554 -4.512 1.00 0.00 O ATOM 850 CB SER A 57 7.876 -0.316 -7.506 1.00 0.00 C ATOM 851 OG SER A 57 9.084 -0.982 -7.832 1.00 0.00 O ATOM 0 H SER A 57 5.449 0.217 -6.442 1.00 0.00 H new ATOM 0 HA SER A 57 7.199 -2.166 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.273 -0.189 -8.405 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.098 0.682 -7.128 1.00 0.00 H new ATOM 0 HG SER A 57 9.573 -0.463 -8.504 1.00 0.00 H new ATOM 857 N SER A 58 7.176 0.325 -4.499 1.00 0.00 N ATOM 858 CA SER A 58 7.613 0.735 -3.169 1.00 0.00 C ATOM 859 C SER A 58 7.109 -0.238 -2.108 1.00 0.00 C ATOM 860 O SER A 58 7.791 -0.504 -1.119 1.00 0.00 O ATOM 861 CB SER A 58 7.117 2.149 -2.859 1.00 0.00 C ATOM 862 OG SER A 58 7.937 3.124 -3.479 1.00 0.00 O ATOM 0 H SER A 58 6.516 0.964 -4.941 1.00 0.00 H new ATOM 0 HA SER A 58 8.703 0.729 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.089 2.261 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.110 2.307 -1.781 1.00 0.00 H new ATOM 0 HG SER A 58 7.610 4.019 -3.251 1.00 0.00 H new ATOM 868 N VAL A 59 5.908 -0.766 -2.321 1.00 0.00 N ATOM 869 CA VAL A 59 5.310 -1.710 -1.384 1.00 0.00 C ATOM 870 C VAL A 59 5.186 -3.097 -2.006 1.00 0.00 C ATOM 871 O VAL A 59 5.361 -3.264 -3.212 1.00 0.00 O ATOM 872 CB VAL A 59 3.918 -1.239 -0.924 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.999 0.151 -0.312 1.00 0.00 C ATOM 874 CG2 VAL A 59 2.937 -1.263 -2.087 1.00 0.00 C ATOM 0 H VAL A 59 5.330 -0.556 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 59 5.972 -1.760 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 59 3.556 -1.925 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.006 0.467 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.667 0.131 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.382 0.853 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.958 -0.927 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.292 -0.600 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.857 -2.279 -2.475 1.00 0.00 H new ATOM 884 N GLU A 60 4.884 -4.088 -1.173 1.00 0.00 N ATOM 885 CA GLU A 60 4.737 -5.461 -1.641 1.00 0.00 C ATOM 886 C GLU A 60 3.443 -6.078 -1.119 1.00 0.00 C ATOM 887 O GLU A 60 3.077 -5.892 0.041 1.00 0.00 O ATOM 888 CB GLU A 60 5.933 -6.305 -1.198 1.00 0.00 C ATOM 889 CG GLU A 60 7.088 -6.290 -2.185 1.00 0.00 C ATOM 890 CD GLU A 60 8.187 -7.267 -1.812 1.00 0.00 C ATOM 891 OE1 GLU A 60 7.862 -8.417 -1.450 1.00 0.00 O ATOM 892 OE2 GLU A 60 9.372 -6.880 -1.882 1.00 0.00 O ATOM 0 H GLU A 60 4.736 -3.966 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 60 4.697 -5.444 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.286 -5.941 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.606 -7.334 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.714 -6.532 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.504 -5.284 -2.237 1.00 0.00 H new ATOM 899 N VAL A 61 2.753 -6.814 -1.986 1.00 0.00 N ATOM 900 CA VAL A 61 1.500 -7.459 -1.613 1.00 0.00 C ATOM 901 C VAL A 61 1.753 -8.813 -0.960 1.00 0.00 C ATOM 902 O VAL A 61 0.821 -9.582 -0.722 1.00 0.00 O ATOM 903 CB VAL A 61 0.584 -7.655 -2.836 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.777 -8.180 -2.406 1.00 0.00 C ATOM 905 CG2 VAL A 61 0.443 -6.352 -3.609 1.00 0.00 C ATOM 0 H VAL A 61 3.041 -6.978 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 61 1.005 -6.801 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 61 1.039 -8.395 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.410 -8.312 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.654 -9.137 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.244 -7.467 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.207 -6.508 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.011 -5.590 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.425 -6.024 -3.951 1.00 0.00 H new ATOM 915 N ILE A 62 3.018 -9.098 -0.671 1.00 0.00 N ATOM 916 CA ILE A 62 3.393 -10.359 -0.043 1.00 0.00 C ATOM 917 C ILE A 62 2.946 -10.401 1.414 1.00 0.00 C ATOM 918 O ILE A 62 2.700 -11.473 1.968 1.00 0.00 O ATOM 919 CB ILE A 62 4.914 -10.590 -0.109 1.00 0.00 C ATOM 920 CG1 ILE A 62 5.655 -9.467 0.619 1.00 0.00 C ATOM 921 CG2 ILE A 62 5.373 -10.684 -1.557 1.00 0.00 C ATOM 922 CD1 ILE A 62 5.888 -9.748 2.086 1.00 0.00 C ATOM 0 H ILE A 62 3.801 -8.473 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 62 2.889 -11.151 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 62 5.145 -11.533 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.616 -9.302 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.085 -8.543 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.450 -10.847 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.866 -11.516 -2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.132 -9.756 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.418 -8.909 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.930 -9.884 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.485 -10.654 2.193 1.00 0.00 H new