USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=9 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 X(o=0,f=-0.37) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.267 F(o=-1.2,f=-0.27) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0874 K(o=-0.087,f=-1.3) USER MOD Single : A 41 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.041) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00211 K(o=-0.0021,f=-1.3) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) 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 -60:sc= -0.594 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.467 -8.710 0.851 1.00 0.00 N ATOM 67 CA PRO A 8 -5.062 -8.485 0.496 1.00 0.00 C ATOM 68 C PRO A 8 -4.472 -7.271 1.206 1.00 0.00 C ATOM 69 O PRO A 8 -5.201 -6.385 1.650 1.00 0.00 O ATOM 70 CB PRO A 8 -5.112 -8.248 -1.016 1.00 0.00 C ATOM 71 CG PRO A 8 -6.489 -7.742 -1.275 1.00 0.00 C ATOM 72 CD PRO A 8 -7.377 -8.424 -0.271 1.00 0.00 C ATOM 0 HA PRO A 8 -4.428 -9.322 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.359 -7.524 -1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.918 -9.168 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.534 -6.659 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.804 -7.971 -2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.203 -7.783 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.815 -9.336 -0.676 1.00 0.00 H new ATOM 80 N ARG A 9 -3.147 -7.238 1.308 1.00 0.00 N ATOM 81 CA ARG A 9 -2.459 -6.133 1.965 1.00 0.00 C ATOM 82 C ARG A 9 -1.078 -5.914 1.355 1.00 0.00 C ATOM 83 O ARG A 9 -0.651 -6.661 0.476 1.00 0.00 O ATOM 84 CB ARG A 9 -2.330 -6.404 3.465 1.00 0.00 C ATOM 85 CG ARG A 9 -3.574 -6.041 4.259 1.00 0.00 C ATOM 86 CD ARG A 9 -3.425 -6.409 5.727 1.00 0.00 C ATOM 87 NE ARG A 9 -3.215 -7.842 5.913 1.00 0.00 N ATOM 88 CZ ARG A 9 -3.445 -8.476 7.058 1.00 0.00 C ATOM 89 NH1 ARG A 9 -3.890 -7.806 8.112 1.00 0.00 N ATOM 90 NH2 ARG A 9 -3.230 -9.782 7.150 1.00 0.00 N ATOM 0 H ARG A 9 -2.529 -7.963 0.944 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.050 -5.229 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.108 -7.460 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.483 -5.841 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.766 -4.972 4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.438 -6.556 3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.585 -5.861 6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.318 -6.100 6.271 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.873 -8.386 5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.056 -6.802 8.045 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.066 -8.295 8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.888 -10.301 6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.407 -10.267 8.030 1.00 0.00 H new ATOM 104 N ALA A 10 -0.385 -4.883 1.829 1.00 0.00 N ATOM 105 CA ALA A 10 0.948 -4.566 1.332 1.00 0.00 C ATOM 106 C ALA A 10 1.826 -3.997 2.441 1.00 0.00 C ATOM 107 O ALA A 10 1.341 -3.311 3.341 1.00 0.00 O ATOM 108 CB ALA A 10 0.860 -3.587 0.171 1.00 0.00 C ATOM 0 H ALA A 10 -0.725 -4.254 2.556 1.00 0.00 H new ATOM 0 HA ALA A 10 1.406 -5.490 0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.863 -3.359 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.276 -4.031 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.378 -2.668 0.505 1.00 0.00 H new ATOM 114 N LYS A 11 3.121 -4.285 2.371 1.00 0.00 N ATOM 115 CA LYS A 11 4.069 -3.802 3.368 1.00 0.00 C ATOM 116 C LYS A 11 5.075 -2.841 2.742 1.00 0.00 C ATOM 117 O LYS A 11 5.669 -3.138 1.707 1.00 0.00 O ATOM 118 CB LYS A 11 4.805 -4.978 4.015 1.00 0.00 C ATOM 119 CG LYS A 11 5.989 -4.559 4.869 1.00 0.00 C ATOM 120 CD LYS A 11 6.543 -5.728 5.665 1.00 0.00 C ATOM 121 CE LYS A 11 8.036 -5.576 5.912 1.00 0.00 C ATOM 122 NZ LYS A 11 8.687 -6.885 6.197 1.00 0.00 N ATOM 0 H LYS A 11 3.539 -4.852 1.633 1.00 0.00 H new ATOM 0 HA LYS A 11 3.510 -3.266 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.104 -5.540 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.153 -5.653 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.772 -4.148 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.684 -3.765 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.021 -5.800 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.355 -6.657 5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.504 -5.120 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.198 -4.899 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.704 -6.739 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.258 -7.309 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.554 -7.523 5.386 1.00 0.00 H new ATOM 136 N ALA A 12 5.261 -1.690 3.379 1.00 0.00 N ATOM 137 CA ALA A 12 6.198 -0.687 2.887 1.00 0.00 C ATOM 138 C ALA A 12 7.627 -1.219 2.899 1.00 0.00 C ATOM 139 O ALA A 12 8.032 -1.919 3.828 1.00 0.00 O ATOM 140 CB ALA A 12 6.098 0.583 3.718 1.00 0.00 C ATOM 0 H ALA A 12 4.775 -1.429 4.237 1.00 0.00 H new ATOM 0 HA ALA A 12 5.933 -0.454 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.803 1.322 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.085 0.981 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.334 0.357 4.758 1.00 0.00 H new ATOM 146 N LEU A 13 8.388 -0.882 1.863 1.00 0.00 N ATOM 147 CA LEU A 13 9.773 -1.326 1.754 1.00 0.00 C ATOM 148 C LEU A 13 10.737 -0.173 2.016 1.00 0.00 C ATOM 149 O LEU A 13 11.849 -0.380 2.502 1.00 0.00 O ATOM 150 CB LEU A 13 10.032 -1.918 0.367 1.00 0.00 C ATOM 151 CG LEU A 13 9.154 -3.105 -0.031 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.175 -3.301 -1.539 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.612 -4.370 0.680 1.00 0.00 C ATOM 0 H LEU A 13 8.069 -0.303 1.087 1.00 0.00 H new ATOM 0 HA LEU A 13 9.943 -2.095 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.899 -1.129 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.075 -2.230 0.316 1.00 0.00 H new ATOM 0 HG LEU A 13 8.129 -2.893 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.545 -4.150 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.798 -2.403 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.197 -3.491 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.976 -5.204 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.645 -4.587 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.544 -4.226 1.758 1.00 0.00 H new ATOM 165 N CYS A 14 10.301 1.039 1.693 1.00 0.00 N ATOM 166 CA CYS A 14 11.125 2.226 1.894 1.00 0.00 C ATOM 167 C CYS A 14 10.276 3.405 2.356 1.00 0.00 C ATOM 168 O CYS A 14 9.048 3.362 2.292 1.00 0.00 O ATOM 169 CB CYS A 14 11.861 2.587 0.603 1.00 0.00 C ATOM 170 SG CYS A 14 10.773 3.083 -0.753 1.00 0.00 S ATOM 0 H CYS A 14 9.382 1.226 1.291 1.00 0.00 H new ATOM 0 HA CYS A 14 11.857 2.002 2.670 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.559 3.398 0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.454 1.730 0.284 1.00 0.00 H new ATOM 0 HG CYS A 14 11.488 3.371 -1.800 1.00 0.00 H new ATOM 176 N ASN A 15 10.938 4.458 2.824 1.00 0.00 N ATOM 177 CA ASN A 15 10.244 5.649 3.299 1.00 0.00 C ATOM 178 C ASN A 15 9.467 6.314 2.167 1.00 0.00 C ATOM 179 O ASN A 15 10.053 6.792 1.195 1.00 0.00 O ATOM 180 CB ASN A 15 11.242 6.641 3.900 1.00 0.00 C ATOM 181 CG ASN A 15 11.957 6.079 5.113 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.900 5.299 4.985 1.00 0.00 O ATOM 183 ND2 ASN A 15 11.508 6.474 6.299 1.00 0.00 N ATOM 0 H ASN A 15 11.955 4.511 2.884 1.00 0.00 H new ATOM 0 HA ASN A 15 9.537 5.344 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.977 6.916 3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.718 7.554 4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.948 6.129 7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.723 7.122 6.357 1.00 0.00 H new ATOM 190 N TYR A 16 8.146 6.342 2.299 1.00 0.00 N ATOM 191 CA TYR A 16 7.288 6.946 1.287 1.00 0.00 C ATOM 192 C TYR A 16 6.489 8.107 1.872 1.00 0.00 C ATOM 193 O TYR A 16 5.591 8.645 1.225 1.00 0.00 O ATOM 194 CB TYR A 16 6.337 5.900 0.703 1.00 0.00 C ATOM 195 CG TYR A 16 5.960 6.161 -0.738 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.896 6.030 -1.756 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.668 6.538 -1.081 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.557 6.269 -3.073 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.319 6.777 -2.396 1.00 0.00 C ATOM 200 CZ TYR A 16 5.267 6.641 -3.388 1.00 0.00 C ATOM 201 OH TYR A 16 4.924 6.878 -4.700 1.00 0.00 O ATOM 0 H TYR A 16 7.645 5.953 3.098 1.00 0.00 H new ATOM 0 HA TYR A 16 7.925 7.332 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.803 4.917 0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.430 5.868 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.906 5.736 -1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.923 6.646 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.298 6.165 -3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.310 7.069 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 16 3.978 7.129 -4.751 1.00 0.00 H new ATOM 211 N ARG A 17 6.824 8.486 3.101 1.00 0.00 N ATOM 212 CA ARG A 17 6.138 9.582 3.776 1.00 0.00 C ATOM 213 C ARG A 17 6.709 10.929 3.343 1.00 0.00 C ATOM 214 O ARG A 17 6.727 11.885 4.118 1.00 0.00 O ATOM 215 CB ARG A 17 6.256 9.429 5.293 1.00 0.00 C ATOM 216 CG ARG A 17 5.100 10.051 6.060 1.00 0.00 C ATOM 217 CD ARG A 17 3.976 9.051 6.280 1.00 0.00 C ATOM 218 NE ARG A 17 2.670 9.701 6.344 1.00 0.00 N ATOM 219 CZ ARG A 17 1.605 9.157 6.922 1.00 0.00 C ATOM 220 NH1 ARG A 17 1.692 7.959 7.484 1.00 0.00 N ATOM 221 NH2 ARG A 17 0.451 9.811 6.940 1.00 0.00 N ATOM 0 H ARG A 17 7.566 8.051 3.650 1.00 0.00 H new ATOM 0 HA ARG A 17 5.085 9.546 3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.316 8.369 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.188 9.886 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.456 10.418 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.720 10.913 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.978 8.320 5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.154 8.503 7.205 1.00 0.00 H new ATOM 0 HE ARG A 17 2.570 10.624 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.578 7.454 7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.873 7.543 7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.381 10.733 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.366 9.392 7.384 1.00 0.00 H new ATOM 235 N GLY A 18 7.177 10.997 2.100 1.00 0.00 N ATOM 236 CA GLY A 18 7.743 12.230 1.587 1.00 0.00 C ATOM 237 C GLY A 18 6.690 13.157 1.012 1.00 0.00 C ATOM 238 O GLY A 18 5.574 13.235 1.525 1.00 0.00 O ATOM 0 H GLY A 18 7.174 10.220 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.275 12.743 2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.477 11.996 0.816 1.00 0.00 H new ATOM 242 N LYS A 19 7.045 13.864 -0.055 1.00 0.00 N ATOM 243 CA LYS A 19 6.124 14.791 -0.701 1.00 0.00 C ATOM 244 C LYS A 19 5.844 14.366 -2.139 1.00 0.00 C ATOM 245 O LYS A 19 6.699 14.503 -3.014 1.00 0.00 O ATOM 246 CB LYS A 19 6.696 16.210 -0.679 1.00 0.00 C ATOM 247 CG LYS A 19 6.403 16.963 0.607 1.00 0.00 C ATOM 248 CD LYS A 19 7.224 16.426 1.768 1.00 0.00 C ATOM 249 CE LYS A 19 8.699 16.759 1.609 1.00 0.00 C ATOM 250 NZ LYS A 19 9.486 16.380 2.815 1.00 0.00 N ATOM 0 H LYS A 19 7.966 13.813 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 19 5.185 14.776 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.775 16.160 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.288 16.771 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.619 18.022 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.342 16.883 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.854 16.847 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.099 15.345 1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.097 16.239 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.812 17.827 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.486 16.623 2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.123 16.895 3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.399 15.357 2.979 1.00 0.00 H new ATOM 264 N ASN A 20 4.642 13.852 -2.377 1.00 0.00 N ATOM 265 CA ASN A 20 4.250 13.409 -3.710 1.00 0.00 C ATOM 266 C ASN A 20 2.871 13.948 -4.079 1.00 0.00 C ATOM 267 O ASN A 20 2.053 14.273 -3.217 1.00 0.00 O ATOM 268 CB ASN A 20 4.249 11.881 -3.782 1.00 0.00 C ATOM 269 CG ASN A 20 5.617 11.317 -4.113 1.00 0.00 C ATOM 270 OD1 ASN A 20 6.559 11.471 -3.190 1.00 0.00 O flip ATOM 271 ND2 ASN A 20 5.824 10.749 -5.186 1.00 0.00 N flip ATOM 0 H ASN A 20 3.922 13.732 -1.664 1.00 0.00 H new ATOM 0 HA ASN A 20 4.976 13.799 -4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.913 11.475 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.533 11.556 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.070 10.653 -5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.749 10.374 -5.394 1.00 0.00 H new ATOM 278 N PRO A 21 2.604 14.044 -5.390 1.00 0.00 N ATOM 279 CA PRO A 21 1.325 14.542 -5.903 1.00 0.00 C ATOM 280 C PRO A 21 0.178 13.571 -5.642 1.00 0.00 C ATOM 281 O PRO A 21 0.224 12.415 -6.061 1.00 0.00 O ATOM 282 CB PRO A 21 1.575 14.681 -7.407 1.00 0.00 C ATOM 283 CG PRO A 21 2.665 13.709 -7.701 1.00 0.00 C ATOM 284 CD PRO A 21 3.532 13.675 -6.472 1.00 0.00 C ATOM 0 HA PRO A 21 1.027 15.472 -5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.676 14.454 -7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.870 15.698 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.259 12.721 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.239 14.018 -8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.964 12.687 -6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.362 14.377 -6.546 1.00 0.00 H new ATOM 292 N GLY A 22 -0.849 14.048 -4.946 1.00 0.00 N ATOM 293 CA GLY A 22 -1.993 13.209 -4.642 1.00 0.00 C ATOM 294 C GLY A 22 -1.604 11.764 -4.399 1.00 0.00 C ATOM 295 O GLY A 22 -2.120 10.857 -5.051 1.00 0.00 O ATOM 0 H GLY A 22 -0.909 15.001 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.501 13.599 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.704 13.257 -5.467 1.00 0.00 H new ATOM 299 N ASP A 23 -0.689 11.549 -3.460 1.00 0.00 N ATOM 300 CA ASP A 23 -0.230 10.204 -3.133 1.00 0.00 C ATOM 301 C ASP A 23 -0.438 9.904 -1.652 1.00 0.00 C ATOM 302 O ASP A 23 -0.894 10.760 -0.892 1.00 0.00 O ATOM 303 CB ASP A 23 1.248 10.045 -3.495 1.00 0.00 C ATOM 304 CG ASP A 23 1.449 9.660 -4.948 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.476 9.196 -5.579 1.00 0.00 O ATOM 306 OD2 ASP A 23 2.579 9.823 -5.453 1.00 0.00 O ATOM 0 H ASP A 23 -0.250 12.289 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.818 9.494 -3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.771 10.980 -3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.696 9.285 -2.855 1.00 0.00 H new ATOM 311 N LEU A 24 -0.104 8.684 -1.248 1.00 0.00 N ATOM 312 CA LEU A 24 -0.255 8.269 0.142 1.00 0.00 C ATOM 313 C LEU A 24 1.100 8.199 0.840 1.00 0.00 C ATOM 314 O LEU A 24 2.014 7.517 0.378 1.00 0.00 O ATOM 315 CB LEU A 24 -0.951 6.909 0.217 1.00 0.00 C ATOM 316 CG LEU A 24 -1.707 6.612 1.512 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.805 5.588 1.266 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.750 6.122 2.589 1.00 0.00 C ATOM 0 H LEU A 24 0.274 7.964 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.868 9.012 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.652 6.836 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.201 6.131 0.071 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.170 7.535 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.332 5.389 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.507 5.977 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.364 4.663 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.306 5.916 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.257 5.211 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.000 6.888 2.785 1.00 0.00 H new ATOM 330 N LYS A 25 1.221 8.908 1.958 1.00 0.00 N ATOM 331 CA LYS A 25 2.462 8.924 2.723 1.00 0.00 C ATOM 332 C LYS A 25 2.497 7.778 3.728 1.00 0.00 C ATOM 333 O LYS A 25 1.604 7.647 4.567 1.00 0.00 O ATOM 334 CB LYS A 25 2.617 10.261 3.452 1.00 0.00 C ATOM 335 CG LYS A 25 3.062 11.398 2.549 1.00 0.00 C ATOM 336 CD LYS A 25 1.894 11.984 1.773 1.00 0.00 C ATOM 337 CE LYS A 25 1.210 13.097 2.552 1.00 0.00 C ATOM 338 NZ LYS A 25 -0.051 13.539 1.895 1.00 0.00 N ATOM 0 H LYS A 25 0.474 9.479 2.354 1.00 0.00 H new ATOM 0 HA LYS A 25 3.291 8.798 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.666 10.526 3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.341 10.144 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.530 12.179 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.818 11.036 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.248 12.372 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.173 11.198 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.991 12.752 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.888 13.945 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.487 14.298 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.160 13.892 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.708 12.736 1.829 1.00 0.00 H new ATOM 352 N PHE A 26 3.533 6.950 3.640 1.00 0.00 N ATOM 353 CA PHE A 26 3.684 5.815 4.542 1.00 0.00 C ATOM 354 C PHE A 26 5.152 5.590 4.892 1.00 0.00 C ATOM 355 O PHE A 26 6.044 5.918 4.112 1.00 0.00 O ATOM 356 CB PHE A 26 3.099 4.551 3.908 1.00 0.00 C ATOM 357 CG PHE A 26 3.723 4.199 2.588 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.871 3.425 2.534 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.162 4.643 1.401 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.448 3.099 1.321 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.734 4.320 0.185 1.00 0.00 C ATOM 362 CZ PHE A 26 4.879 3.548 0.145 1.00 0.00 C ATOM 0 H PHE A 26 4.281 7.044 2.953 1.00 0.00 H new ATOM 0 HA PHE A 26 3.140 6.037 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.228 3.716 4.596 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.026 4.687 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.320 3.072 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.268 5.248 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.342 2.494 1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.286 4.671 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.329 3.296 -0.804 1.00 0.00 H new ATOM 372 N ASN A 27 5.393 5.028 6.072 1.00 0.00 N ATOM 373 CA ASN A 27 6.752 4.759 6.527 1.00 0.00 C ATOM 374 C ASN A 27 7.090 3.278 6.388 1.00 0.00 C ATOM 375 O ASN A 27 6.263 2.412 6.670 1.00 0.00 O ATOM 376 CB ASN A 27 6.920 5.197 7.984 1.00 0.00 C ATOM 377 CG ASN A 27 6.181 6.486 8.289 1.00 0.00 C ATOM 378 OD1 ASN A 27 6.675 7.593 7.748 1.00 0.00 O flip ATOM 379 ND2 ASN A 27 5.178 6.485 9.003 1.00 0.00 N flip ATOM 0 H ASN A 27 4.665 4.750 6.730 1.00 0.00 H new ATOM 0 HA ASN A 27 7.438 5.330 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.556 4.408 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.980 5.329 8.201 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.834 5.610 9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.691 7.359 9.200 1.00 0.00 H new ATOM 386 N LYS A 28 8.313 2.995 5.951 1.00 0.00 N ATOM 387 CA LYS A 28 8.763 1.619 5.775 1.00 0.00 C ATOM 388 C LYS A 28 8.228 0.725 6.889 1.00 0.00 C ATOM 389 O LYS A 28 8.222 1.109 8.057 1.00 0.00 O ATOM 390 CB LYS A 28 10.292 1.561 5.749 1.00 0.00 C ATOM 391 CG LYS A 28 10.847 0.147 5.784 1.00 0.00 C ATOM 392 CD LYS A 28 12.233 0.108 6.405 1.00 0.00 C ATOM 393 CE LYS A 28 12.581 -1.286 6.905 1.00 0.00 C ATOM 394 NZ LYS A 28 14.031 -1.420 7.212 1.00 0.00 N ATOM 0 H LYS A 28 9.010 3.700 5.712 1.00 0.00 H new ATOM 0 HA LYS A 28 8.375 1.255 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.651 2.061 4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.683 2.117 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.174 -0.495 6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.890 -0.253 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.972 0.427 5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.282 0.815 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.999 -1.507 7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.300 -2.022 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.227 -2.384 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.586 -1.235 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.295 -0.735 7.949 1.00 0.00 H new ATOM 408 N GLY A 29 7.781 -0.471 6.518 1.00 0.00 N ATOM 409 CA GLY A 29 7.252 -1.401 7.498 1.00 0.00 C ATOM 410 C GLY A 29 5.746 -1.303 7.638 1.00 0.00 C ATOM 411 O GLY A 29 5.056 -2.318 7.733 1.00 0.00 O ATOM 0 H GLY A 29 7.776 -0.812 5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.522 -2.418 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.717 -1.208 8.465 1.00 0.00 H new ATOM 415 N ASP A 30 5.234 -0.077 7.651 1.00 0.00 N ATOM 416 CA ASP A 30 3.799 0.151 7.781 1.00 0.00 C ATOM 417 C ASP A 30 3.020 -0.721 6.802 1.00 0.00 C ATOM 418 O ASP A 30 3.436 -0.916 5.660 1.00 0.00 O ATOM 419 CB ASP A 30 3.472 1.626 7.541 1.00 0.00 C ATOM 420 CG ASP A 30 3.915 2.511 8.689 1.00 0.00 C ATOM 421 OD1 ASP A 30 3.922 2.029 9.842 1.00 0.00 O ATOM 422 OD2 ASP A 30 4.255 3.685 8.436 1.00 0.00 O ATOM 0 H ASP A 30 5.791 0.774 7.573 1.00 0.00 H new ATOM 0 HA ASP A 30 3.503 -0.119 8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.956 1.958 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.398 1.738 7.393 1.00 0.00 H new ATOM 427 N VAL A 31 1.886 -1.245 7.257 1.00 0.00 N ATOM 428 CA VAL A 31 1.048 -2.097 6.421 1.00 0.00 C ATOM 429 C VAL A 31 -0.177 -1.340 5.919 1.00 0.00 C ATOM 430 O VAL A 31 -0.914 -0.742 6.703 1.00 0.00 O ATOM 431 CB VAL A 31 0.584 -3.351 7.186 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.344 -4.191 6.322 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.783 -4.168 7.645 1.00 0.00 C ATOM 0 H VAL A 31 1.527 -1.094 8.200 1.00 0.00 H new ATOM 0 HA VAL A 31 1.657 -2.403 5.570 1.00 0.00 H new ATOM 0 HB VAL A 31 0.030 -3.033 8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.661 -5.072 6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.218 -3.601 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.182 -4.502 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.437 -5.050 8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.366 -4.478 6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.406 -3.562 8.303 1.00 0.00 H new ATOM 443 N ILE A 32 -0.387 -1.370 4.607 1.00 0.00 N ATOM 444 CA ILE A 32 -1.523 -0.688 4.001 1.00 0.00 C ATOM 445 C ILE A 32 -2.566 -1.687 3.509 1.00 0.00 C ATOM 446 O ILE A 32 -2.233 -2.678 2.858 1.00 0.00 O ATOM 447 CB ILE A 32 -1.083 0.199 2.821 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.017 1.166 3.265 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.273 0.963 2.260 1.00 0.00 C ATOM 450 CD1 ILE A 32 0.974 1.542 2.155 1.00 0.00 C ATOM 0 H ILE A 32 0.215 -1.859 3.944 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.962 -0.059 4.775 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.683 -0.440 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.444 2.072 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.580 0.714 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.946 1.585 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.027 0.257 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.700 1.595 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.727 2.229 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.462 0.644 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.423 2.024 1.347 1.00 0.00 H new ATOM 462 N LEU A 33 -3.828 -1.419 3.824 1.00 0.00 N ATOM 463 CA LEU A 33 -4.921 -2.293 3.413 1.00 0.00 C ATOM 464 C LEU A 33 -5.382 -1.960 1.998 1.00 0.00 C ATOM 465 O LEU A 33 -5.776 -0.829 1.712 1.00 0.00 O ATOM 466 CB LEU A 33 -6.094 -2.168 4.387 1.00 0.00 C ATOM 467 CG LEU A 33 -5.879 -2.766 5.778 1.00 0.00 C ATOM 468 CD1 LEU A 33 -5.291 -1.727 6.720 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.187 -3.312 6.332 1.00 0.00 C ATOM 0 H LEU A 33 -4.120 -0.604 4.363 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.556 -3.320 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.334 -1.111 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.965 -2.646 3.939 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.172 -3.591 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.145 -2.170 7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.332 -1.384 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.974 -0.881 6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.015 -3.734 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.917 -2.506 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.567 -4.088 5.668 1.00 0.00 H new ATOM 481 N LEU A 34 -5.333 -2.953 1.117 1.00 0.00 N ATOM 482 CA LEU A 34 -5.748 -2.766 -0.269 1.00 0.00 C ATOM 483 C LEU A 34 -7.247 -2.494 -0.357 1.00 0.00 C ATOM 484 O LEU A 34 -8.058 -3.420 -0.342 1.00 0.00 O ATOM 485 CB LEU A 34 -5.393 -4.002 -1.099 1.00 0.00 C ATOM 486 CG LEU A 34 -3.951 -4.082 -1.599 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.725 -5.373 -2.372 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.618 -2.875 -2.464 1.00 0.00 C ATOM 0 H LEU A 34 -5.010 -3.895 1.337 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.217 -1.902 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.598 -4.889 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.058 -4.039 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.287 -4.079 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.693 -5.413 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.922 -6.226 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.398 -5.407 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.587 -2.949 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.289 -2.847 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.739 -1.963 -1.879 1.00 0.00 H new ATOM 500 N ARG A 35 -7.606 -1.218 -0.451 1.00 0.00 N ATOM 501 CA ARG A 35 -9.007 -0.824 -0.542 1.00 0.00 C ATOM 502 C ARG A 35 -9.523 -0.977 -1.970 1.00 0.00 C ATOM 503 O ARG A 35 -10.599 -1.530 -2.196 1.00 0.00 O ATOM 504 CB ARG A 35 -9.183 0.623 -0.077 1.00 0.00 C ATOM 505 CG ARG A 35 -10.626 1.101 -0.107 1.00 0.00 C ATOM 506 CD ARG A 35 -11.437 0.499 1.029 1.00 0.00 C ATOM 507 NE ARG A 35 -11.953 -0.825 0.691 1.00 0.00 N ATOM 508 CZ ARG A 35 -13.016 -1.369 1.273 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.672 -0.707 2.217 1.00 0.00 N ATOM 510 NH2 ARG A 35 -13.426 -2.578 0.912 1.00 0.00 N ATOM 0 H ARG A 35 -6.947 -0.440 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.586 -1.480 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.798 0.719 0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.580 1.275 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.651 2.188 -0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.079 0.832 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.815 0.429 1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.268 1.161 1.272 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.471 -1.361 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.361 0.223 2.498 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.488 -1.128 2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.925 -3.091 0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.242 -2.994 1.360 1.00 0.00 H new ATOM 524 N ARG A 36 -8.747 -0.482 -2.930 1.00 0.00 N ATOM 525 CA ARG A 36 -9.126 -0.562 -4.335 1.00 0.00 C ATOM 526 C ARG A 36 -7.894 -0.701 -5.224 1.00 0.00 C ATOM 527 O ARG A 36 -6.939 0.065 -5.100 1.00 0.00 O ATOM 528 CB ARG A 36 -9.923 0.679 -4.742 1.00 0.00 C ATOM 529 CG ARG A 36 -10.628 0.539 -6.081 1.00 0.00 C ATOM 530 CD ARG A 36 -11.175 1.872 -6.565 1.00 0.00 C ATOM 531 NE ARG A 36 -11.791 1.765 -7.885 1.00 0.00 N ATOM 532 CZ ARG A 36 -12.651 2.653 -8.370 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.996 3.709 -7.646 1.00 0.00 N ATOM 534 NH2 ARG A 36 -13.168 2.486 -9.580 1.00 0.00 N ATOM 0 H ARG A 36 -7.853 -0.022 -2.760 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.750 -1.446 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.664 0.893 -3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.250 1.535 -4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.933 0.140 -6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.443 -0.179 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.910 2.243 -5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.368 2.604 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.547 0.963 -8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.601 3.840 -6.715 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.657 4.390 -8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.905 1.675 -10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.828 3.169 -9.951 1.00 0.00 H new ATOM 548 N GLN A 37 -7.923 -1.685 -6.117 1.00 0.00 N ATOM 549 CA GLN A 37 -6.807 -1.925 -7.025 1.00 0.00 C ATOM 550 C GLN A 37 -7.061 -1.277 -8.382 1.00 0.00 C ATOM 551 O GLN A 37 -7.755 -1.839 -9.231 1.00 0.00 O ATOM 552 CB GLN A 37 -6.578 -3.427 -7.199 1.00 0.00 C ATOM 553 CG GLN A 37 -5.358 -3.763 -8.042 1.00 0.00 C ATOM 554 CD GLN A 37 -5.329 -5.216 -8.473 1.00 0.00 C ATOM 555 OE1 GLN A 37 -6.226 -5.992 -8.142 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.295 -5.592 -9.216 1.00 0.00 N ATOM 0 H GLN A 37 -8.706 -2.328 -6.231 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.914 -1.476 -6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.468 -3.885 -6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.461 -3.870 -7.660 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.345 -3.125 -8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.455 -3.538 -7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.574 -4.915 -9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.221 -6.558 -9.536 1.00 0.00 H new ATOM 565 N LEU A 38 -6.495 -0.092 -8.581 1.00 0.00 N ATOM 566 CA LEU A 38 -6.659 0.634 -9.836 1.00 0.00 C ATOM 567 C LEU A 38 -6.017 -0.125 -10.992 1.00 0.00 C ATOM 568 O LEU A 38 -6.565 -0.179 -12.094 1.00 0.00 O ATOM 569 CB LEU A 38 -6.046 2.031 -9.725 1.00 0.00 C ATOM 570 CG LEU A 38 -6.500 2.870 -8.530 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.485 3.962 -8.228 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.872 3.472 -8.792 1.00 0.00 C ATOM 0 H LEU A 38 -5.918 0.387 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.727 0.728 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.962 1.928 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.276 2.581 -10.638 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.572 2.218 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.825 4.549 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.521 3.509 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.380 4.612 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.179 4.066 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.827 4.109 -9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.594 2.673 -8.958 1.00 0.00 H new ATOM 584 N ASP A 39 -4.854 -0.713 -10.734 1.00 0.00 N ATOM 585 CA ASP A 39 -4.138 -1.473 -11.752 1.00 0.00 C ATOM 586 C ASP A 39 -3.102 -2.393 -11.115 1.00 0.00 C ATOM 587 O ASP A 39 -2.955 -2.426 -9.893 1.00 0.00 O ATOM 588 CB ASP A 39 -3.457 -0.525 -12.741 1.00 0.00 C ATOM 589 CG ASP A 39 -4.337 0.651 -13.115 1.00 0.00 C ATOM 590 OD1 ASP A 39 -5.194 0.490 -14.009 1.00 0.00 O ATOM 591 OD2 ASP A 39 -4.169 1.733 -12.515 1.00 0.00 O ATOM 0 H ASP A 39 -4.387 -0.678 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.862 -2.087 -12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.528 -0.156 -12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.189 -1.076 -13.643 1.00 0.00 H new ATOM 596 N GLU A 40 -2.387 -3.140 -11.951 1.00 0.00 N ATOM 597 CA GLU A 40 -1.366 -4.062 -11.468 1.00 0.00 C ATOM 598 C GLU A 40 -0.053 -3.331 -11.204 1.00 0.00 C ATOM 599 O GLU A 40 0.984 -3.955 -10.986 1.00 0.00 O ATOM 600 CB GLU A 40 -1.141 -5.186 -12.482 1.00 0.00 C ATOM 601 CG GLU A 40 -2.398 -5.979 -12.800 1.00 0.00 C ATOM 602 CD GLU A 40 -2.835 -6.865 -11.650 1.00 0.00 C ATOM 603 OE1 GLU A 40 -1.953 -7.379 -10.929 1.00 0.00 O ATOM 604 OE2 GLU A 40 -4.057 -7.046 -11.471 1.00 0.00 O ATOM 0 H GLU A 40 -2.496 -3.125 -12.965 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.717 -4.493 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.748 -4.759 -13.404 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.381 -5.865 -12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.205 -5.290 -13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.221 -6.595 -13.682 1.00 0.00 H new ATOM 611 N ASN A 41 -0.107 -2.003 -11.226 1.00 0.00 N ATOM 612 CA ASN A 41 1.077 -1.185 -10.990 1.00 0.00 C ATOM 613 C ASN A 41 0.884 -0.287 -9.772 1.00 0.00 C ATOM 614 O ASN A 41 1.826 -0.030 -9.022 1.00 0.00 O ATOM 615 CB ASN A 41 1.388 -0.333 -12.222 1.00 0.00 C ATOM 616 CG ASN A 41 1.446 -1.156 -13.494 1.00 0.00 C ATOM 617 OD1 ASN A 41 2.526 -1.467 -13.997 1.00 0.00 O ATOM 618 ND2 ASN A 41 0.281 -1.514 -14.021 1.00 0.00 N ATOM 0 H ASN A 41 -0.958 -1.470 -11.405 1.00 0.00 H new ATOM 0 HA ASN A 41 1.917 -1.853 -10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.627 0.440 -12.327 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.341 0.175 -12.078 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.257 -2.069 -14.876 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.590 -1.234 -13.570 1.00 0.00 H new ATOM 625 N TRP A 42 -0.342 0.186 -9.581 1.00 0.00 N ATOM 626 CA TRP A 42 -0.659 1.055 -8.453 1.00 0.00 C ATOM 627 C TRP A 42 -1.658 0.388 -7.515 1.00 0.00 C ATOM 628 O TRP A 42 -2.393 -0.515 -7.916 1.00 0.00 O ATOM 629 CB TRP A 42 -1.220 2.388 -8.952 1.00 0.00 C ATOM 630 CG TRP A 42 -0.194 3.253 -9.618 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.356 3.070 -10.854 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.407 4.437 -9.081 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.263 4.068 -11.118 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.312 4.920 -10.047 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.268 5.137 -7.879 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.072 6.069 -9.845 1.00 0.00 C ATOM 637 CZ3 TRP A 42 1.023 6.277 -7.681 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.915 6.734 -8.660 1.00 0.00 C ATOM 0 H TRP A 42 -1.133 -0.017 -10.192 1.00 0.00 H new ATOM 0 HA TRP A 42 0.262 1.240 -7.900 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.031 2.193 -9.654 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.651 2.930 -8.110 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.114 2.260 -11.526 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.811 4.159 -11.973 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.417 4.793 -7.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.761 6.423 -10.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.924 6.825 -6.756 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.490 7.629 -8.475 1.00 0.00 H new ATOM 649 N TYR A 43 -1.680 0.836 -6.265 1.00 0.00 N ATOM 650 CA TYR A 43 -2.588 0.280 -5.269 1.00 0.00 C ATOM 651 C TYR A 43 -3.181 1.382 -4.396 1.00 0.00 C ATOM 652 O TYR A 43 -2.456 2.215 -3.853 1.00 0.00 O ATOM 653 CB TYR A 43 -1.857 -0.741 -4.395 1.00 0.00 C ATOM 654 CG TYR A 43 -1.415 -1.975 -5.148 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.337 -2.781 -5.804 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.074 -2.336 -5.203 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.937 -3.910 -6.491 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.335 -3.463 -5.889 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.600 -4.247 -6.532 1.00 0.00 C ATOM 660 OH TYR A 43 -0.198 -5.370 -7.217 1.00 0.00 O ATOM 0 H TYR A 43 -1.079 1.583 -5.917 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.402 -0.219 -5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.984 -0.266 -3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.511 -1.040 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.385 -2.520 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.661 -1.725 -4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.668 -4.526 -6.994 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.381 -3.729 -5.922 1.00 0.00 H new ATOM 0 HH TYR A 43 0.775 -5.464 -7.149 1.00 0.00 H new ATOM 670 N GLN A 44 -4.503 1.378 -4.267 1.00 0.00 N ATOM 671 CA GLN A 44 -5.194 2.377 -3.460 1.00 0.00 C ATOM 672 C GLN A 44 -5.634 1.789 -2.123 1.00 0.00 C ATOM 673 O GLN A 44 -6.511 0.928 -2.071 1.00 0.00 O ATOM 674 CB GLN A 44 -6.408 2.922 -4.215 1.00 0.00 C ATOM 675 CG GLN A 44 -7.054 4.123 -3.542 1.00 0.00 C ATOM 676 CD GLN A 44 -8.298 4.598 -4.266 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.699 4.023 -5.278 1.00 0.00 O ATOM 678 NE2 GLN A 44 -8.918 5.652 -3.748 1.00 0.00 N ATOM 0 H GLN A 44 -5.117 0.695 -4.710 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.499 3.194 -3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.103 3.202 -5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.149 2.129 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.312 3.864 -2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.333 4.939 -3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.550 6.098 -2.907 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.762 6.016 -4.191 1.00 0.00 H new ATOM 687 N GLY A 45 -5.017 2.259 -1.043 1.00 0.00 N ATOM 688 CA GLY A 45 -5.358 1.768 0.279 1.00 0.00 C ATOM 689 C GLY A 45 -5.558 2.888 1.280 1.00 0.00 C ATOM 690 O GLY A 45 -5.699 4.050 0.900 1.00 0.00 O ATOM 0 H GLY A 45 -4.287 2.971 -1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.269 1.172 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.567 1.106 0.632 1.00 0.00 H new ATOM 694 N GLU A 46 -5.573 2.538 2.562 1.00 0.00 N ATOM 695 CA GLU A 46 -5.761 3.524 3.620 1.00 0.00 C ATOM 696 C GLU A 46 -4.994 3.125 4.878 1.00 0.00 C ATOM 697 O GLU A 46 -5.095 1.990 5.345 1.00 0.00 O ATOM 698 CB GLU A 46 -7.248 3.680 3.945 1.00 0.00 C ATOM 699 CG GLU A 46 -7.513 4.426 5.242 1.00 0.00 C ATOM 700 CD GLU A 46 -8.988 4.702 5.465 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.725 4.826 4.464 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.403 4.795 6.638 1.00 0.00 O ATOM 0 H GLU A 46 -5.457 1.580 2.893 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.372 4.478 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.737 4.208 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.704 2.692 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.126 3.843 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.968 5.370 5.232 1.00 0.00 H new ATOM 709 N ILE A 47 -4.228 4.065 5.420 1.00 0.00 N ATOM 710 CA ILE A 47 -3.445 3.812 6.623 1.00 0.00 C ATOM 711 C ILE A 47 -3.640 4.923 7.650 1.00 0.00 C ATOM 712 O ILE A 47 -3.428 6.098 7.355 1.00 0.00 O ATOM 713 CB ILE A 47 -1.944 3.684 6.301 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.169 3.247 7.546 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.402 5.001 5.768 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.246 2.801 7.251 1.00 0.00 C ATOM 0 H ILE A 47 -4.133 5.009 5.045 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.801 2.869 7.039 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.816 2.923 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.140 4.074 8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.705 2.431 8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.340 4.894 5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.938 5.274 4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.539 5.781 6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.735 2.506 8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.225 1.953 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.799 3.622 6.795 1.00 0.00 H new ATOM 728 N ASN A 48 -4.044 4.541 8.857 1.00 0.00 N ATOM 729 CA ASN A 48 -4.266 5.505 9.929 1.00 0.00 C ATOM 730 C ASN A 48 -5.189 6.629 9.467 1.00 0.00 C ATOM 731 O ASN A 48 -4.888 7.808 9.648 1.00 0.00 O ATOM 732 CB ASN A 48 -2.934 6.087 10.404 1.00 0.00 C ATOM 733 CG ASN A 48 -2.296 5.254 11.499 1.00 0.00 C ATOM 734 OD1 ASN A 48 -1.368 4.384 11.116 1.00 0.00 O flip ATOM 735 ND2 ASN A 48 -2.634 5.390 12.675 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.224 3.571 9.117 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.744 4.984 10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.249 6.157 9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.094 7.101 10.769 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.351 6.071 12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.197 4.822 13.400 1.00 0.00 H new ATOM 742 N GLY A 49 -6.316 6.254 8.869 1.00 0.00 N ATOM 743 CA GLY A 49 -7.266 7.242 8.391 1.00 0.00 C ATOM 744 C GLY A 49 -6.685 8.126 7.305 1.00 0.00 C ATOM 745 O GLY A 49 -7.022 9.307 7.210 1.00 0.00 O ATOM 0 H GLY A 49 -6.588 5.284 8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.151 6.735 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.591 7.863 9.226 1.00 0.00 H new ATOM 749 N VAL A 50 -5.809 7.556 6.485 1.00 0.00 N ATOM 750 CA VAL A 50 -5.179 8.301 5.401 1.00 0.00 C ATOM 751 C VAL A 50 -5.378 7.599 4.063 1.00 0.00 C ATOM 752 O VAL A 50 -4.774 6.559 3.800 1.00 0.00 O ATOM 753 CB VAL A 50 -3.671 8.488 5.651 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.041 9.302 4.531 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.432 9.149 7.000 1.00 0.00 C ATOM 0 H VAL A 50 -5.519 6.580 6.550 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.659 9.279 5.369 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.199 7.506 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.975 9.424 4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.180 8.784 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.515 10.282 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.361 9.273 7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.917 10.125 7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.846 8.523 7.790 1.00 0.00 H new ATOM 765 N SER A 51 -6.230 8.173 3.220 1.00 0.00 N ATOM 766 CA SER A 51 -6.512 7.601 1.909 1.00 0.00 C ATOM 767 C SER A 51 -5.595 8.197 0.846 1.00 0.00 C ATOM 768 O SER A 51 -5.432 9.414 0.763 1.00 0.00 O ATOM 769 CB SER A 51 -7.975 7.839 1.529 1.00 0.00 C ATOM 770 OG SER A 51 -8.850 7.175 2.424 1.00 0.00 O ATOM 0 H SER A 51 -6.737 9.035 3.422 1.00 0.00 H new ATOM 0 HA SER A 51 -6.327 6.528 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.186 8.908 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.152 7.485 0.513 1.00 0.00 H new ATOM 0 HG SER A 51 -9.778 7.344 2.160 1.00 0.00 H new ATOM 776 N GLY A 52 -4.996 7.330 0.036 1.00 0.00 N ATOM 777 CA GLY A 52 -4.101 7.789 -1.011 1.00 0.00 C ATOM 778 C GLY A 52 -3.688 6.674 -1.950 1.00 0.00 C ATOM 779 O GLY A 52 -4.071 5.519 -1.760 1.00 0.00 O ATOM 0 H GLY A 52 -5.114 6.318 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.589 8.579 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.211 8.227 -0.558 1.00 0.00 H new ATOM 783 N ILE A 53 -2.905 7.019 -2.967 1.00 0.00 N ATOM 784 CA ILE A 53 -2.440 6.037 -3.940 1.00 0.00 C ATOM 785 C ILE A 53 -0.925 5.876 -3.877 1.00 0.00 C ATOM 786 O ILE A 53 -0.197 6.839 -3.637 1.00 0.00 O ATOM 787 CB ILE A 53 -2.844 6.430 -5.373 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.316 7.826 -5.711 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.356 6.378 -5.530 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.232 8.097 -7.196 1.00 0.00 C ATOM 0 H ILE A 53 -2.579 7.970 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.915 5.090 -3.684 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.401 5.716 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.963 8.572 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.326 7.947 -5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.626 6.658 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.708 5.367 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.819 7.072 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.850 9.104 -7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.561 7.374 -7.660 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.224 8.008 -7.639 1.00 0.00 H new ATOM 802 N PHE A 54 -0.456 4.652 -4.094 1.00 0.00 N ATOM 803 CA PHE A 54 0.973 4.363 -4.063 1.00 0.00 C ATOM 804 C PHE A 54 1.324 3.246 -5.041 1.00 0.00 C ATOM 805 O PHE A 54 0.491 2.410 -5.393 1.00 0.00 O ATOM 806 CB PHE A 54 1.405 3.973 -2.648 1.00 0.00 C ATOM 807 CG PHE A 54 0.506 2.955 -2.006 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.624 3.352 -1.309 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.790 1.602 -2.100 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.453 2.418 -0.717 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.035 0.664 -1.510 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.159 1.072 -0.818 1.00 0.00 C ATOM 0 H PHE A 54 -1.045 3.844 -4.293 1.00 0.00 H new ATOM 0 HA PHE A 54 1.507 5.265 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.421 3.579 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.431 4.867 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.859 4.403 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.667 1.277 -2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.330 2.740 -0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.199 -0.387 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.806 0.340 -0.357 1.00 0.00 H new ATOM 822 N PRO A 55 2.587 3.230 -5.492 1.00 0.00 N ATOM 823 CA PRO A 55 3.078 2.221 -6.435 1.00 0.00 C ATOM 824 C PRO A 55 3.182 0.837 -5.802 1.00 0.00 C ATOM 825 O PRO A 55 2.871 0.658 -4.625 1.00 0.00 O ATOM 826 CB PRO A 55 4.466 2.740 -6.819 1.00 0.00 C ATOM 827 CG PRO A 55 4.890 3.577 -5.662 1.00 0.00 C ATOM 828 CD PRO A 55 3.633 4.195 -5.114 1.00 0.00 C ATOM 0 HA PRO A 55 2.406 2.095 -7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.162 1.919 -6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.430 3.324 -7.738 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.389 2.972 -4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.598 4.345 -5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.688 4.326 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.447 5.179 -5.545 1.00 0.00 H new ATOM 836 N ALA A 56 3.622 -0.137 -6.591 1.00 0.00 N ATOM 837 CA ALA A 56 3.770 -1.504 -6.107 1.00 0.00 C ATOM 838 C ALA A 56 5.222 -1.807 -5.753 1.00 0.00 C ATOM 839 O ALA A 56 5.499 -2.619 -4.870 1.00 0.00 O ATOM 840 CB ALA A 56 3.261 -2.491 -7.147 1.00 0.00 C ATOM 0 H ALA A 56 3.882 -0.005 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 56 3.173 -1.609 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.378 -3.508 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.207 -2.297 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.833 -2.376 -8.068 1.00 0.00 H new ATOM 846 N SER A 57 6.145 -1.150 -6.448 1.00 0.00 N ATOM 847 CA SER A 57 7.569 -1.353 -6.210 1.00 0.00 C ATOM 848 C SER A 57 7.960 -0.876 -4.814 1.00 0.00 C ATOM 849 O SER A 57 8.805 -1.480 -4.153 1.00 0.00 O ATOM 850 CB SER A 57 8.395 -0.614 -7.264 1.00 0.00 C ATOM 851 OG SER A 57 8.040 -1.027 -8.572 1.00 0.00 O ATOM 0 H SER A 57 5.932 -0.473 -7.180 1.00 0.00 H new ATOM 0 HA SER A 57 7.775 -2.421 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.240 0.460 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.456 -0.800 -7.096 1.00 0.00 H new ATOM 0 HG SER A 57 8.581 -0.539 -9.227 1.00 0.00 H new ATOM 857 N SER A 58 7.340 0.213 -4.373 1.00 0.00 N ATOM 858 CA SER A 58 7.624 0.776 -3.058 1.00 0.00 C ATOM 859 C SER A 58 7.192 -0.182 -1.952 1.00 0.00 C ATOM 860 O SER A 58 7.853 -0.297 -0.920 1.00 0.00 O ATOM 861 CB SER A 58 6.914 2.120 -2.890 1.00 0.00 C ATOM 862 OG SER A 58 5.538 1.938 -2.604 1.00 0.00 O ATOM 0 H SER A 58 6.637 0.724 -4.907 1.00 0.00 H new ATOM 0 HA SER A 58 8.700 0.930 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.384 2.685 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.025 2.709 -3.800 1.00 0.00 H new ATOM 0 HG SER A 58 5.113 1.451 -3.340 1.00 0.00 H new ATOM 868 N VAL A 59 6.076 -0.870 -2.176 1.00 0.00 N ATOM 869 CA VAL A 59 5.554 -1.819 -1.201 1.00 0.00 C ATOM 870 C VAL A 59 5.690 -3.253 -1.702 1.00 0.00 C ATOM 871 O VAL A 59 6.253 -3.496 -2.768 1.00 0.00 O ATOM 872 CB VAL A 59 4.074 -1.537 -0.879 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.893 -0.100 -0.414 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.202 -1.828 -2.091 1.00 0.00 C ATOM 0 H VAL A 59 5.516 -0.787 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 59 6.145 -1.697 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 59 3.763 -2.197 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.841 0.081 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.488 0.070 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.219 0.581 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.160 -1.624 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.511 -1.194 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.310 -2.875 -2.374 1.00 0.00 H new ATOM 884 N GLU A 60 5.169 -4.197 -0.925 1.00 0.00 N ATOM 885 CA GLU A 60 5.233 -5.607 -1.291 1.00 0.00 C ATOM 886 C GLU A 60 3.939 -6.325 -0.917 1.00 0.00 C ATOM 887 O GLU A 60 3.465 -6.226 0.215 1.00 0.00 O ATOM 888 CB GLU A 60 6.421 -6.282 -0.602 1.00 0.00 C ATOM 889 CG GLU A 60 6.516 -5.980 0.884 1.00 0.00 C ATOM 890 CD GLU A 60 7.513 -6.870 1.598 1.00 0.00 C ATOM 891 OE1 GLU A 60 8.444 -7.372 0.934 1.00 0.00 O ATOM 892 OE2 GLU A 60 7.363 -7.066 2.822 1.00 0.00 O ATOM 0 H GLU A 60 4.698 -4.011 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 60 5.365 -5.670 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.346 -7.361 -0.741 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.342 -5.962 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.802 -4.937 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.533 -6.103 1.339 1.00 0.00 H new ATOM 899 N VAL A 61 3.372 -7.048 -1.878 1.00 0.00 N ATOM 900 CA VAL A 61 2.133 -7.783 -1.651 1.00 0.00 C ATOM 901 C VAL A 61 2.408 -9.135 -1.001 1.00 0.00 C ATOM 902 O VAL A 61 1.536 -10.003 -0.959 1.00 0.00 O ATOM 903 CB VAL A 61 1.364 -8.006 -2.966 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.069 -8.429 -2.682 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.397 -6.748 -3.822 1.00 0.00 C ATOM 0 H VAL A 61 3.751 -7.140 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 61 1.524 -7.177 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 61 1.851 -8.808 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.597 -8.582 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.068 -9.358 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.571 -7.651 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.849 -6.923 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.935 -5.925 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.431 -6.494 -4.055 1.00 0.00 H new ATOM 915 N ILE A 62 3.625 -9.306 -0.495 1.00 0.00 N ATOM 916 CA ILE A 62 4.014 -10.551 0.154 1.00 0.00 C ATOM 917 C ILE A 62 3.319 -10.708 1.502 1.00 0.00 C ATOM 918 O ILE A 62 3.101 -11.824 1.974 1.00 0.00 O ATOM 919 CB ILE A 62 5.538 -10.625 0.363 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.011 -9.465 1.241 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.257 -10.610 -0.977 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.010 -9.787 2.720 1.00 0.00 C ATOM 0 H ILE A 62 4.358 -8.598 -0.522 1.00 0.00 H new ATOM 0 HA ILE A 62 3.707 -11.361 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 62 5.776 -11.560 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.019 -9.180 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.369 -8.602 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.333 -10.663 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.938 -11.467 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.016 -9.690 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.357 -8.919 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.999 -10.043 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.674 -10.630 2.909 1.00 0.00 H new