USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 THR OG1 : rot -113:sc= 0.379 USER MOD Set 1.2: A 86 GLN : amide:sc= -0.136 K(o=0.24,f=-5.7!) USER MOD Set 2.1: A 55 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 45 THR OG1 : rot 24:sc= 0.455 USER MOD Set 3.2: A 74 THR OG1 : rot 84:sc= 1.09 USER MOD Set 3.3: A 88 SER OG : rot -99:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -100:sc= 0 USER MOD Single : A 25 THR OG1 : rot 45:sc= 0.0788 USER MOD Single : A 39 SER OG : rot 37:sc= 0.707 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -1.4 (180deg=-3.3) USER MOD Single : A 46 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.7!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.042 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 179:sc= -0.264 USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= -1.62! (180deg=-1.85!) USER MOD Single : A 82 ASN : amide:sc=-0.00467 X(o=-0.0047,f=-0.27) USER MOD Single : A 84 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.3!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.265 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0295 K(o=-0.029,f=-1.5!) USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= -0.101 (180deg=-1.76) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.303 4.096 3.011 1.00 0.00 N ATOM 106 CA ALA A 11 4.084 3.555 2.425 1.00 0.00 C ATOM 107 C ALA A 11 3.157 4.671 1.955 1.00 0.00 C ATOM 108 O ALA A 11 1.943 4.601 2.137 1.00 0.00 O ATOM 109 CB ALA A 11 3.369 2.660 3.426 1.00 0.00 C ATOM 0 HA ALA A 11 4.363 2.960 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.460 2.263 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.023 1.836 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.111 3.239 4.312 1.00 0.00 H new ATOM 115 N GLY A 12 3.740 5.702 1.350 1.00 0.00 N ATOM 116 CA GLY A 12 2.951 6.820 0.865 1.00 0.00 C ATOM 117 C GLY A 12 2.097 7.442 1.951 1.00 0.00 C ATOM 118 O GLY A 12 1.876 6.854 3.010 1.00 0.00 O ATOM 0 H GLY A 12 4.744 5.783 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.616 7.578 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.309 6.482 0.052 1.00 0.00 H new ATOM 122 N PRO A 13 1.600 8.661 1.694 1.00 0.00 N ATOM 123 CA PRO A 13 0.758 9.390 2.647 1.00 0.00 C ATOM 124 C PRO A 13 -0.619 8.756 2.807 1.00 0.00 C ATOM 125 O PRO A 13 -1.008 7.888 2.025 1.00 0.00 O ATOM 126 CB PRO A 13 0.637 10.781 2.021 1.00 0.00 C ATOM 127 CG PRO A 13 0.847 10.560 0.563 1.00 0.00 C ATOM 128 CD PRO A 13 1.822 9.421 0.453 1.00 0.00 C ATOM 0 HA PRO A 13 1.186 9.394 3.649 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.341 11.220 2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.381 11.465 2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.092 10.319 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.240 11.457 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.631 8.812 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.849 9.777 0.378 1.00 0.00 H new ATOM 136 N ASP A 14 -1.353 9.194 3.824 1.00 0.00 N ATOM 137 CA ASP A 14 -2.688 8.670 4.086 1.00 0.00 C ATOM 138 C ASP A 14 -3.501 8.587 2.798 1.00 0.00 C ATOM 139 O ASP A 14 -3.371 9.433 1.913 1.00 0.00 O ATOM 140 CB ASP A 14 -3.413 9.549 5.106 1.00 0.00 C ATOM 141 CG ASP A 14 -3.976 10.812 4.485 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.203 11.550 3.839 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.189 11.064 4.645 1.00 0.00 O ATOM 0 H ASP A 14 -1.046 9.911 4.481 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.584 7.665 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.223 8.979 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.723 9.817 5.906 1.00 0.00 H new ATOM 148 N LYS A 15 -4.339 7.560 2.698 1.00 0.00 N ATOM 149 CA LYS A 15 -5.174 7.365 1.519 1.00 0.00 C ATOM 150 C LYS A 15 -6.648 7.569 1.856 1.00 0.00 C ATOM 151 O LYS A 15 -7.179 6.932 2.764 1.00 0.00 O ATOM 152 CB LYS A 15 -4.961 5.963 0.944 1.00 0.00 C ATOM 153 CG LYS A 15 -3.641 5.800 0.211 1.00 0.00 C ATOM 154 CD LYS A 15 -3.775 6.141 -1.263 1.00 0.00 C ATOM 155 CE LYS A 15 -2.423 6.436 -1.893 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.560 7.133 -3.202 1.00 0.00 N ATOM 0 H LYS A 15 -4.458 6.850 3.420 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.884 8.105 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.009 5.236 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.778 5.732 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.889 6.444 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.289 4.774 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.249 5.311 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.428 7.006 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.833 7.052 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.877 5.503 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.616 7.316 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.101 6.535 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.058 8.035 -3.064 1.00 0.00 H new ATOM 170 N GLU A 16 -7.301 8.461 1.117 1.00 0.00 N ATOM 171 CA GLU A 16 -8.713 8.747 1.338 1.00 0.00 C ATOM 172 C GLU A 16 -9.516 8.552 0.055 1.00 0.00 C ATOM 173 O GLU A 16 -9.496 9.400 -0.838 1.00 0.00 O ATOM 174 CB GLU A 16 -8.892 10.177 1.852 1.00 0.00 C ATOM 175 CG GLU A 16 -10.127 10.363 2.719 1.00 0.00 C ATOM 176 CD GLU A 16 -10.318 11.801 3.161 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.400 12.350 3.805 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.385 12.376 2.863 1.00 0.00 O ATOM 0 H GLU A 16 -6.875 8.997 0.361 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.085 8.049 2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.010 10.461 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.951 10.855 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.008 10.037 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.049 9.724 3.598 1.00 0.00 H new ATOM 185 N LEU A 17 -10.220 7.429 -0.030 1.00 0.00 N ATOM 186 CA LEU A 17 -11.030 7.121 -1.204 1.00 0.00 C ATOM 187 C LEU A 17 -12.505 7.406 -0.939 1.00 0.00 C ATOM 188 O LEU A 17 -12.974 7.302 0.195 1.00 0.00 O ATOM 189 CB LEU A 17 -10.846 5.656 -1.605 1.00 0.00 C ATOM 190 CG LEU A 17 -9.401 5.171 -1.730 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.308 3.686 -1.418 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.860 5.461 -3.122 1.00 0.00 C ATOM 0 H LEU A 17 -10.247 6.717 0.699 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.697 7.760 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.355 5.032 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.346 5.496 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.792 5.712 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.273 3.359 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.655 3.506 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.930 3.128 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.831 5.109 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.471 4.947 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.890 6.535 -3.308 1.00 0.00 H new ATOM 204 N THR A 18 -13.232 7.764 -1.992 1.00 0.00 N ATOM 205 CA THR A 18 -14.653 8.063 -1.874 1.00 0.00 C ATOM 206 C THR A 18 -15.462 7.313 -2.926 1.00 0.00 C ATOM 207 O THR A 18 -15.361 7.597 -4.120 1.00 0.00 O ATOM 208 CB THR A 18 -14.924 9.573 -2.014 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.117 10.304 -1.084 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.393 9.884 -1.773 1.00 0.00 C ATOM 0 H THR A 18 -12.859 7.854 -2.937 1.00 0.00 H new ATOM 0 HA THR A 18 -14.963 7.737 -0.881 1.00 0.00 H new ATOM 0 HB THR A 18 -14.668 9.873 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.294 11.263 -1.181 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.560 10.956 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.002 9.349 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.671 9.570 -0.767 1.00 0.00 H new ATOM 218 N LEU A 19 -16.266 6.356 -2.476 1.00 0.00 N ATOM 219 CA LEU A 19 -17.094 5.565 -3.380 1.00 0.00 C ATOM 220 C LEU A 19 -17.665 6.434 -4.496 1.00 0.00 C ATOM 221 O LEU A 19 -17.806 7.649 -4.359 1.00 0.00 O ATOM 222 CB LEU A 19 -18.231 4.895 -2.607 1.00 0.00 C ATOM 223 CG LEU A 19 -17.853 3.651 -1.801 1.00 0.00 C ATOM 224 CD1 LEU A 19 -18.980 3.266 -0.854 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.517 2.495 -2.731 1.00 0.00 C ATOM 0 H LEU A 19 -16.362 6.109 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.466 4.796 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.661 5.628 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.013 4.621 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.969 3.881 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -18.693 2.379 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -19.173 4.088 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -19.882 3.054 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.250 1.619 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -18.382 2.264 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.677 2.773 -3.368 1.00 0.00 H new ATOM 237 N PRO A 20 -18.005 5.798 -5.627 1.00 0.00 N ATOM 238 CA PRO A 20 -17.841 4.351 -5.801 1.00 0.00 C ATOM 239 C PRO A 20 -16.375 3.941 -5.895 1.00 0.00 C ATOM 240 O PRO A 20 -16.058 2.756 -6.000 1.00 0.00 O ATOM 241 CB PRO A 20 -18.561 4.070 -7.123 1.00 0.00 C ATOM 242 CG PRO A 20 -18.507 5.360 -7.866 1.00 0.00 C ATOM 243 CD PRO A 20 -18.574 6.441 -6.823 1.00 0.00 C ATOM 0 HA PRO A 20 -18.239 3.790 -4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.070 3.272 -7.679 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.590 3.754 -6.954 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.589 5.437 -8.449 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.338 5.442 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -18.000 7.320 -7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.599 6.772 -6.652 1.00 0.00 H new ATOM 251 N VAL A 21 -15.486 4.928 -5.855 1.00 0.00 N ATOM 252 CA VAL A 21 -14.053 4.669 -5.933 1.00 0.00 C ATOM 253 C VAL A 21 -13.625 3.629 -4.904 1.00 0.00 C ATOM 254 O VAL A 21 -13.489 3.933 -3.719 1.00 0.00 O ATOM 255 CB VAL A 21 -13.237 5.957 -5.715 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.747 5.669 -5.816 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.652 7.025 -6.715 1.00 0.00 C ATOM 0 H VAL A 21 -15.732 5.914 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.855 4.287 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.442 6.332 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.187 6.591 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.465 4.940 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.520 5.270 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.066 7.928 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.478 6.662 -7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.711 7.251 -6.588 1.00 0.00 H new ATOM 267 N ASP A 22 -13.414 2.401 -5.364 1.00 0.00 N ATOM 268 CA ASP A 22 -13.000 1.315 -4.483 1.00 0.00 C ATOM 269 C ASP A 22 -11.732 0.647 -5.004 1.00 0.00 C ATOM 270 O ASP A 22 -11.563 -0.567 -4.885 1.00 0.00 O ATOM 271 CB ASP A 22 -14.119 0.281 -4.353 1.00 0.00 C ATOM 272 CG ASP A 22 -14.476 -0.358 -5.681 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.735 -1.261 -6.123 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.496 0.045 -6.278 1.00 0.00 O ATOM 0 H ASP A 22 -13.523 2.132 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.790 1.737 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.813 -0.495 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.004 0.759 -3.934 1.00 0.00 H new ATOM 279 N SER A 23 -10.843 1.447 -5.584 1.00 0.00 N ATOM 280 CA SER A 23 -9.591 0.933 -6.128 1.00 0.00 C ATOM 281 C SER A 23 -8.459 1.935 -5.926 1.00 0.00 C ATOM 282 O SER A 23 -8.633 3.137 -6.130 1.00 0.00 O ATOM 283 CB SER A 23 -9.749 0.617 -7.617 1.00 0.00 C ATOM 284 OG SER A 23 -9.932 1.802 -8.373 1.00 0.00 O ATOM 0 H SER A 23 -10.966 2.454 -5.689 1.00 0.00 H new ATOM 0 HA SER A 23 -9.341 0.016 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.867 0.086 -7.975 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.601 -0.046 -7.763 1.00 0.00 H new ATOM 0 HG SER A 23 -10.029 1.574 -9.321 1.00 0.00 H new ATOM 290 N THR A 24 -7.296 1.431 -5.524 1.00 0.00 N ATOM 291 CA THR A 24 -6.134 2.280 -5.294 1.00 0.00 C ATOM 292 C THR A 24 -4.838 1.493 -5.449 1.00 0.00 C ATOM 293 O THR A 24 -4.770 0.313 -5.103 1.00 0.00 O ATOM 294 CB THR A 24 -6.171 2.914 -3.890 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.390 4.114 -3.873 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.643 1.944 -2.844 1.00 0.00 C ATOM 0 H THR A 24 -7.134 0.439 -5.351 1.00 0.00 H new ATOM 0 HA THR A 24 -6.167 3.071 -6.043 1.00 0.00 H new ATOM 0 HB THR A 24 -7.207 3.153 -3.651 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.514 3.928 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.679 2.414 -1.861 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.258 1.044 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.613 1.678 -3.082 1.00 0.00 H new ATOM 304 N THR A 25 -3.809 2.153 -5.972 1.00 0.00 N ATOM 305 CA THR A 25 -2.514 1.515 -6.174 1.00 0.00 C ATOM 306 C THR A 25 -1.506 1.974 -5.128 1.00 0.00 C ATOM 307 O THR A 25 -1.270 3.172 -4.962 1.00 0.00 O ATOM 308 CB THR A 25 -1.954 1.813 -7.577 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.057 3.213 -7.859 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.702 1.021 -8.639 1.00 0.00 C ATOM 0 H THR A 25 -3.848 3.130 -6.263 1.00 0.00 H new ATOM 0 HA THR A 25 -2.672 0.441 -6.075 1.00 0.00 H new ATOM 0 HB THR A 25 -0.906 1.515 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.757 3.727 -7.080 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.288 1.249 -9.621 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.597 -0.045 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.758 1.292 -8.618 1.00 0.00 H new ATOM 318 N LEU A 26 -0.912 1.016 -4.425 1.00 0.00 N ATOM 319 CA LEU A 26 0.074 1.323 -3.394 1.00 0.00 C ATOM 320 C LEU A 26 1.486 1.314 -3.970 1.00 0.00 C ATOM 321 O LEU A 26 2.140 0.272 -4.019 1.00 0.00 O ATOM 322 CB LEU A 26 -0.028 0.315 -2.247 1.00 0.00 C ATOM 323 CG LEU A 26 -1.314 0.365 -1.422 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.542 -0.958 -0.708 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.262 1.511 -0.422 1.00 0.00 C ATOM 0 H LEU A 26 -1.096 0.020 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.136 2.322 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.076 -0.688 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.817 0.472 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.151 0.538 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.462 -0.903 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.625 -1.759 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.703 -1.162 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.186 1.531 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.416 1.369 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.147 2.455 -0.956 1.00 0.00 H new ATOM 337 N ASP A 27 1.950 2.481 -4.404 1.00 0.00 N ATOM 338 CA ASP A 27 3.286 2.608 -4.974 1.00 0.00 C ATOM 339 C ASP A 27 4.281 3.092 -3.924 1.00 0.00 C ATOM 340 O ASP A 27 4.174 4.209 -3.420 1.00 0.00 O ATOM 341 CB ASP A 27 3.267 3.574 -6.160 1.00 0.00 C ATOM 342 CG ASP A 27 2.916 4.990 -5.748 1.00 0.00 C ATOM 343 OD1 ASP A 27 1.710 5.306 -5.681 1.00 0.00 O ATOM 344 OD2 ASP A 27 3.847 5.782 -5.492 1.00 0.00 O ATOM 0 H ASP A 27 1.421 3.352 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 27 3.602 1.624 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.244 3.571 -6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.545 3.224 -6.898 1.00 0.00 H new ATOM 349 N GLY A 28 5.250 2.241 -3.598 1.00 0.00 N ATOM 350 CA GLY A 28 6.249 2.599 -2.608 1.00 0.00 C ATOM 351 C GLY A 28 7.616 2.831 -3.222 1.00 0.00 C ATOM 352 O GLY A 28 8.635 2.457 -2.643 1.00 0.00 O ATOM 0 H GLY A 28 5.361 1.311 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.931 3.501 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.318 1.806 -1.863 1.00 0.00 H new ATOM 493 N ILE A 38 15.857 -4.239 -3.065 1.00 0.00 N ATOM 494 CA ILE A 38 15.615 -5.377 -3.942 1.00 0.00 C ATOM 495 C ILE A 38 14.586 -6.327 -3.339 1.00 0.00 C ATOM 496 O ILE A 38 14.734 -7.547 -3.412 1.00 0.00 O ATOM 497 CB ILE A 38 16.914 -6.157 -4.223 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.492 -6.713 -2.920 1.00 0.00 C ATOM 499 CG2 ILE A 38 17.928 -5.262 -4.919 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.591 -7.730 -3.133 1.00 0.00 C ATOM 0 HA ILE A 38 15.230 -4.976 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 38 16.683 -6.994 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.882 -5.888 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.690 -7.172 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 38 18.840 -5.827 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.514 -4.909 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.157 -4.408 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.954 -8.081 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.201 -8.573 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.411 -7.269 -3.683 1.00 0.00 H new ATOM 512 N SER A 39 13.541 -5.759 -2.746 1.00 0.00 N ATOM 513 CA SER A 39 12.486 -6.555 -2.128 1.00 0.00 C ATOM 514 C SER A 39 11.223 -5.723 -1.930 1.00 0.00 C ATOM 515 O SER A 39 11.291 -4.545 -1.576 1.00 0.00 O ATOM 516 CB SER A 39 12.960 -7.112 -0.784 1.00 0.00 C ATOM 517 OG SER A 39 13.589 -8.371 -0.948 1.00 0.00 O ATOM 0 H SER A 39 13.402 -4.751 -2.680 1.00 0.00 H new ATOM 0 HA SER A 39 12.252 -7.385 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.656 -6.412 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.111 -7.211 -0.108 1.00 0.00 H new ATOM 0 HG SER A 39 14.110 -8.371 -1.778 1.00 0.00 H new ATOM 523 N TYR A 40 10.071 -6.343 -2.161 1.00 0.00 N ATOM 524 CA TYR A 40 8.792 -5.660 -2.010 1.00 0.00 C ATOM 525 C TYR A 40 7.695 -6.641 -1.606 1.00 0.00 C ATOM 526 O TYR A 40 7.540 -7.702 -2.213 1.00 0.00 O ATOM 527 CB TYR A 40 8.408 -4.958 -3.314 1.00 0.00 C ATOM 528 CG TYR A 40 9.400 -3.903 -3.748 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.493 -2.690 -3.075 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.244 -4.117 -4.830 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.397 -1.722 -3.468 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.153 -3.156 -5.229 1.00 0.00 C ATOM 533 CZ TYR A 40 11.225 -1.960 -4.545 1.00 0.00 C ATOM 534 OH TYR A 40 12.127 -0.999 -4.941 1.00 0.00 O ATOM 0 H TYR A 40 9.997 -7.317 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 40 8.898 -4.915 -1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.314 -5.703 -4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.428 -4.496 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.847 -2.501 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.189 -5.051 -5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.455 -0.784 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.803 -3.340 -6.071 1.00 0.00 H new ATOM 0 HH TYR A 40 12.634 -1.325 -5.714 1.00 0.00 H new ATOM 544 N LEU A 41 6.937 -6.279 -0.578 1.00 0.00 N ATOM 545 CA LEU A 41 5.853 -7.125 -0.091 1.00 0.00 C ATOM 546 C LEU A 41 4.672 -6.282 0.378 1.00 0.00 C ATOM 547 O LEU A 41 4.829 -5.379 1.201 1.00 0.00 O ATOM 548 CB LEU A 41 6.347 -8.013 1.053 1.00 0.00 C ATOM 549 CG LEU A 41 5.336 -9.018 1.607 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.153 -10.178 0.641 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.780 -9.523 2.972 1.00 0.00 C ATOM 0 H LEU A 41 7.053 -5.405 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 41 5.520 -7.756 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.223 -8.562 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.675 -7.370 1.870 1.00 0.00 H new ATOM 0 HG LEU A 41 4.377 -8.514 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.430 -10.883 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.790 -9.801 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.108 -10.682 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.049 -10.237 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.751 -10.011 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.859 -8.683 3.663 1.00 0.00 H new ATOM 563 N TRP A 42 3.491 -6.583 -0.149 1.00 0.00 N ATOM 564 CA TRP A 42 2.282 -5.853 0.218 1.00 0.00 C ATOM 565 C TRP A 42 1.237 -6.793 0.808 1.00 0.00 C ATOM 566 O TRP A 42 0.712 -7.665 0.116 1.00 0.00 O ATOM 567 CB TRP A 42 1.707 -5.132 -1.002 1.00 0.00 C ATOM 568 CG TRP A 42 2.465 -3.894 -1.372 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.374 -3.760 -2.383 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.382 -2.615 -0.734 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.861 -2.476 -2.412 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.267 -1.753 -1.411 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.644 -2.113 0.342 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.433 -0.420 -1.044 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.811 -0.790 0.704 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.699 0.045 0.012 1.00 0.00 C ATOM 0 H TRP A 42 3.344 -7.327 -0.831 1.00 0.00 H new ATOM 0 HA TRP A 42 2.548 -5.115 0.975 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.705 -5.815 -1.851 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.668 -4.868 -0.803 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.667 -4.548 -3.060 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.552 -2.119 -3.071 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.956 -2.748 0.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.118 0.224 -1.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.247 -0.392 1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.806 1.075 0.319 1.00 0.00 H new ATOM 587 N GLU A 43 0.938 -6.610 2.091 1.00 0.00 N ATOM 588 CA GLU A 43 -0.045 -7.443 2.772 1.00 0.00 C ATOM 589 C GLU A 43 -0.880 -6.615 3.745 1.00 0.00 C ATOM 590 O GLU A 43 -0.380 -5.678 4.368 1.00 0.00 O ATOM 591 CB GLU A 43 0.651 -8.582 3.522 1.00 0.00 C ATOM 592 CG GLU A 43 1.293 -9.610 2.606 1.00 0.00 C ATOM 593 CD GLU A 43 0.333 -10.710 2.199 1.00 0.00 C ATOM 594 OE1 GLU A 43 -0.611 -10.420 1.434 1.00 0.00 O ATOM 595 OE2 GLU A 43 0.524 -11.861 2.644 1.00 0.00 O ATOM 0 H GLU A 43 1.363 -5.892 2.679 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.709 -7.866 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.416 -8.162 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.076 -9.082 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.667 -9.111 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.153 -10.052 3.109 1.00 0.00 H new ATOM 602 N LYS A 44 -2.155 -6.967 3.869 1.00 0.00 N ATOM 603 CA LYS A 44 -3.061 -6.258 4.765 1.00 0.00 C ATOM 604 C LYS A 44 -2.944 -6.791 6.190 1.00 0.00 C ATOM 605 O LYS A 44 -3.205 -7.967 6.448 1.00 0.00 O ATOM 606 CB LYS A 44 -4.505 -6.393 4.275 1.00 0.00 C ATOM 607 CG LYS A 44 -5.519 -5.711 5.177 1.00 0.00 C ATOM 608 CD LYS A 44 -6.861 -5.549 4.484 1.00 0.00 C ATOM 609 CE LYS A 44 -7.383 -6.879 3.961 1.00 0.00 C ATOM 610 NZ LYS A 44 -6.879 -7.172 2.590 1.00 0.00 N ATOM 0 H LYS A 44 -2.585 -7.739 3.360 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.781 -5.205 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.581 -5.971 3.273 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.756 -7.451 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.647 -6.295 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.142 -4.733 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.582 -5.123 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.762 -4.845 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.082 -7.679 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.473 -6.863 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.587 -7.730 2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.705 -6.279 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.992 -7.711 2.654 1.00 0.00 H new ATOM 624 N THR A 45 -2.552 -5.919 7.113 1.00 0.00 N ATOM 625 CA THR A 45 -2.401 -6.301 8.511 1.00 0.00 C ATOM 626 C THR A 45 -3.722 -6.174 9.261 1.00 0.00 C ATOM 627 O THR A 45 -4.047 -7.006 10.107 1.00 0.00 O ATOM 628 CB THR A 45 -1.338 -5.439 9.218 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.329 -4.119 8.663 1.00 0.00 O ATOM 630 CG2 THR A 45 0.043 -6.063 9.079 1.00 0.00 C ATOM 0 H THR A 45 -2.333 -4.942 6.917 1.00 0.00 H new ATOM 0 HA THR A 45 -2.079 -7.342 8.521 1.00 0.00 H new ATOM 0 HB THR A 45 -1.591 -5.385 10.277 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.198 -3.932 8.251 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.778 -5.437 9.586 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.040 -7.056 9.528 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.301 -6.143 8.023 1.00 0.00 H new ATOM 638 N GLN A 46 -4.479 -5.129 8.945 1.00 0.00 N ATOM 639 CA GLN A 46 -5.765 -4.894 9.590 1.00 0.00 C ATOM 640 C GLN A 46 -6.838 -4.556 8.559 1.00 0.00 C ATOM 641 O GLN A 46 -6.533 -4.269 7.403 1.00 0.00 O ATOM 642 CB GLN A 46 -5.648 -3.762 10.612 1.00 0.00 C ATOM 643 CG GLN A 46 -5.278 -4.239 12.007 1.00 0.00 C ATOM 644 CD GLN A 46 -4.768 -3.117 12.891 1.00 0.00 C ATOM 645 OE1 GLN A 46 -4.203 -2.137 12.405 1.00 0.00 O ATOM 646 NE2 GLN A 46 -4.965 -3.255 14.197 1.00 0.00 N ATOM 0 H GLN A 46 -4.224 -4.431 8.246 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.057 -5.809 10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.897 -3.050 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.596 -3.227 10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.150 -4.696 12.474 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.514 -5.013 11.932 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.438 -4.084 14.557 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.643 -2.532 14.841 1.00 0.00 H new ATOM 655 N GLY A 47 -8.096 -4.592 8.988 1.00 0.00 N ATOM 656 CA GLY A 47 -9.194 -4.288 8.090 1.00 0.00 C ATOM 657 C GLY A 47 -9.943 -5.529 7.648 1.00 0.00 C ATOM 658 O GLY A 47 -9.511 -6.658 7.884 1.00 0.00 O ATOM 0 H GLY A 47 -8.374 -4.826 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.886 -3.607 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.808 -3.769 7.213 1.00 0.00 H new ATOM 662 N PRO A 48 -11.095 -5.328 6.990 1.00 0.00 N ATOM 663 CA PRO A 48 -11.930 -6.429 6.502 1.00 0.00 C ATOM 664 C PRO A 48 -11.284 -7.175 5.339 1.00 0.00 C ATOM 665 O PRO A 48 -10.707 -6.563 4.440 1.00 0.00 O ATOM 666 CB PRO A 48 -13.209 -5.726 6.040 1.00 0.00 C ATOM 667 CG PRO A 48 -12.781 -4.337 5.715 1.00 0.00 C ATOM 668 CD PRO A 48 -11.670 -4.010 6.673 1.00 0.00 C ATOM 0 HA PRO A 48 -12.096 -7.186 7.269 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.641 -6.221 5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.969 -5.734 6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.439 -4.266 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.610 -3.638 5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.932 -3.347 6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.044 -3.509 7.566 1.00 0.00 H new ATOM 676 N ASP A 49 -11.384 -8.500 5.364 1.00 0.00 N ATOM 677 CA ASP A 49 -10.810 -9.330 4.312 1.00 0.00 C ATOM 678 C ASP A 49 -11.805 -9.526 3.172 1.00 0.00 C ATOM 679 O ASP A 49 -12.906 -10.034 3.377 1.00 0.00 O ATOM 680 CB ASP A 49 -10.387 -10.687 4.876 1.00 0.00 C ATOM 681 CG ASP A 49 -8.972 -10.673 5.419 1.00 0.00 C ATOM 682 OD1 ASP A 49 -8.604 -9.687 6.093 1.00 0.00 O ATOM 683 OD2 ASP A 49 -8.232 -11.647 5.170 1.00 0.00 O ATOM 0 H ASP A 49 -11.857 -9.022 6.102 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.931 -8.820 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.075 -10.977 5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.466 -11.442 4.094 1.00 0.00 H new ATOM 688 N GLY A 50 -11.408 -9.120 1.970 1.00 0.00 N ATOM 689 CA GLY A 50 -12.276 -9.258 0.815 1.00 0.00 C ATOM 690 C GLY A 50 -11.682 -8.641 -0.435 1.00 0.00 C ATOM 691 O GLY A 50 -12.011 -9.043 -1.551 1.00 0.00 O ATOM 0 H GLY A 50 -10.500 -8.698 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.472 -10.315 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.236 -8.787 1.028 1.00 0.00 H new ATOM 695 N VAL A 51 -10.805 -7.659 -0.249 1.00 0.00 N ATOM 696 CA VAL A 51 -10.164 -6.984 -1.371 1.00 0.00 C ATOM 697 C VAL A 51 -9.200 -7.917 -2.095 1.00 0.00 C ATOM 698 O VAL A 51 -8.868 -8.992 -1.596 1.00 0.00 O ATOM 699 CB VAL A 51 -9.399 -5.730 -0.909 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.203 -4.967 0.132 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.031 -6.113 -0.362 1.00 0.00 C ATOM 0 H VAL A 51 -10.522 -7.314 0.668 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.957 -6.684 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.252 -5.077 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.646 -4.084 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.157 -4.661 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.383 -5.609 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.504 -5.215 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.154 -6.786 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.455 -6.613 -1.141 1.00 0.00 H new ATOM 711 N GLN A 52 -8.753 -7.498 -3.275 1.00 0.00 N ATOM 712 CA GLN A 52 -7.826 -8.296 -4.068 1.00 0.00 C ATOM 713 C GLN A 52 -6.537 -7.527 -4.336 1.00 0.00 C ATOM 714 O GLN A 52 -6.538 -6.522 -5.049 1.00 0.00 O ATOM 715 CB GLN A 52 -8.476 -8.705 -5.392 1.00 0.00 C ATOM 716 CG GLN A 52 -9.648 -9.658 -5.225 1.00 0.00 C ATOM 717 CD GLN A 52 -10.155 -10.195 -6.549 1.00 0.00 C ATOM 718 OE1 GLN A 52 -9.425 -10.863 -7.282 1.00 0.00 O ATOM 719 NE2 GLN A 52 -11.413 -9.907 -6.863 1.00 0.00 N ATOM 0 H GLN A 52 -9.018 -6.611 -3.702 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.580 -9.193 -3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.818 -7.810 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.724 -9.174 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.346 -10.491 -4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.460 -9.143 -4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.983 -9.350 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.809 -10.243 -7.741 1.00 0.00 H new ATOM 728 N LEU A 53 -5.439 -8.005 -3.762 1.00 0.00 N ATOM 729 CA LEU A 53 -4.141 -7.362 -3.939 1.00 0.00 C ATOM 730 C LEU A 53 -3.371 -7.998 -5.092 1.00 0.00 C ATOM 731 O LEU A 53 -3.072 -9.191 -5.068 1.00 0.00 O ATOM 732 CB LEU A 53 -3.322 -7.458 -2.651 1.00 0.00 C ATOM 733 CG LEU A 53 -3.455 -6.282 -1.682 1.00 0.00 C ATOM 734 CD1 LEU A 53 -3.301 -6.754 -0.245 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.427 -5.207 -2.005 1.00 0.00 C ATOM 0 H LEU A 53 -5.421 -8.835 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.313 -6.312 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.611 -8.369 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.271 -7.565 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.450 -5.852 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.399 -5.904 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.074 -7.488 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.319 -7.210 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.536 -4.378 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.424 -5.625 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.584 -4.847 -3.022 1.00 0.00 H new ATOM 747 N GLU A 54 -3.053 -7.191 -6.100 1.00 0.00 N ATOM 748 CA GLU A 54 -2.316 -7.676 -7.262 1.00 0.00 C ATOM 749 C GLU A 54 -0.892 -7.129 -7.270 1.00 0.00 C ATOM 750 O GLU A 54 -0.635 -6.030 -6.779 1.00 0.00 O ATOM 751 CB GLU A 54 -3.035 -7.276 -8.552 1.00 0.00 C ATOM 752 CG GLU A 54 -4.045 -8.305 -9.030 1.00 0.00 C ATOM 753 CD GLU A 54 -3.489 -9.716 -9.022 1.00 0.00 C ATOM 754 OE1 GLU A 54 -2.261 -9.870 -9.188 1.00 0.00 O ATOM 755 OE2 GLU A 54 -4.281 -10.666 -8.850 1.00 0.00 O ATOM 0 H GLU A 54 -3.294 -6.200 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.269 -8.763 -7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.544 -6.325 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.295 -7.115 -9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.929 -8.263 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.367 -8.051 -10.040 1.00 0.00 H new ATOM 762 N ASN A 55 0.031 -7.904 -7.830 1.00 0.00 N ATOM 763 CA ASN A 55 1.430 -7.499 -7.901 1.00 0.00 C ATOM 764 C ASN A 55 1.976 -7.184 -6.512 1.00 0.00 C ATOM 765 O ASN A 55 2.829 -6.311 -6.353 1.00 0.00 O ATOM 766 CB ASN A 55 1.583 -6.278 -8.811 1.00 0.00 C ATOM 767 CG ASN A 55 1.833 -6.662 -10.257 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.844 -7.286 -10.579 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.910 -6.289 -11.136 1.00 0.00 N ATOM 0 H ASN A 55 -0.165 -8.817 -8.241 1.00 0.00 H new ATOM 0 HA ASN A 55 2.002 -8.328 -8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.682 -5.668 -8.751 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.409 -5.663 -8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.024 -6.519 -12.123 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.087 -5.773 -10.824 1.00 0.00 H new ATOM 776 N ALA A 56 1.478 -7.901 -5.510 1.00 0.00 N ATOM 777 CA ALA A 56 1.918 -7.700 -4.135 1.00 0.00 C ATOM 778 C ALA A 56 3.429 -7.865 -4.012 1.00 0.00 C ATOM 779 O ALA A 56 4.075 -7.181 -3.220 1.00 0.00 O ATOM 780 CB ALA A 56 1.202 -8.668 -3.205 1.00 0.00 C ATOM 0 H ALA A 56 0.770 -8.626 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 56 1.666 -6.680 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.540 -8.507 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.127 -8.500 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.425 -9.692 -3.504 1.00 0.00 H new ATOM 786 N ASN A 57 3.986 -8.779 -4.801 1.00 0.00 N ATOM 787 CA ASN A 57 5.422 -9.034 -4.779 1.00 0.00 C ATOM 788 C ASN A 57 6.163 -8.052 -5.680 1.00 0.00 C ATOM 789 O ASN A 57 7.192 -8.387 -6.268 1.00 0.00 O ATOM 790 CB ASN A 57 5.712 -10.470 -5.223 1.00 0.00 C ATOM 791 CG ASN A 57 4.971 -11.495 -4.386 1.00 0.00 C ATOM 792 OD1 ASN A 57 4.057 -12.163 -4.870 1.00 0.00 O ATOM 793 ND2 ASN A 57 5.363 -11.622 -3.124 1.00 0.00 N ATOM 0 H ASN A 57 3.465 -9.355 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 57 5.775 -8.898 -3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.431 -10.588 -6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.784 -10.658 -5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.902 -12.295 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.126 -11.047 -2.766 1.00 0.00 H new ATOM 800 N SER A 58 5.634 -6.837 -5.783 1.00 0.00 N ATOM 801 CA SER A 58 6.243 -5.806 -6.615 1.00 0.00 C ATOM 802 C SER A 58 6.251 -4.461 -5.894 1.00 0.00 C ATOM 803 O SER A 58 5.575 -4.283 -4.881 1.00 0.00 O ATOM 804 CB SER A 58 5.493 -5.681 -7.942 1.00 0.00 C ATOM 805 OG SER A 58 5.783 -6.774 -8.797 1.00 0.00 O ATOM 0 H SER A 58 4.785 -6.543 -5.301 1.00 0.00 H new ATOM 0 HA SER A 58 7.274 -6.098 -6.815 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.420 -5.637 -7.754 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.769 -4.748 -8.433 1.00 0.00 H new ATOM 0 HG SER A 58 5.290 -6.671 -9.638 1.00 0.00 H new ATOM 811 N SER A 59 7.022 -3.517 -6.425 1.00 0.00 N ATOM 812 CA SER A 59 7.122 -2.188 -5.831 1.00 0.00 C ATOM 813 C SER A 59 5.761 -1.498 -5.812 1.00 0.00 C ATOM 814 O SER A 59 5.464 -0.712 -4.913 1.00 0.00 O ATOM 815 CB SER A 59 8.128 -1.335 -6.606 1.00 0.00 C ATOM 816 OG SER A 59 8.113 -1.656 -7.986 1.00 0.00 O ATOM 0 H SER A 59 7.586 -3.647 -7.265 1.00 0.00 H new ATOM 0 HA SER A 59 7.467 -2.301 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.893 -0.279 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.129 -1.492 -6.204 1.00 0.00 H new ATOM 0 HG SER A 59 8.763 -1.096 -8.459 1.00 0.00 H new ATOM 822 N VAL A 60 4.938 -1.799 -6.811 1.00 0.00 N ATOM 823 CA VAL A 60 3.608 -1.209 -6.910 1.00 0.00 C ATOM 824 C VAL A 60 2.525 -2.281 -6.845 1.00 0.00 C ATOM 825 O VAL A 60 2.567 -3.266 -7.582 1.00 0.00 O ATOM 826 CB VAL A 60 3.444 -0.408 -8.215 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.980 -0.075 -8.457 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.288 0.857 -8.172 1.00 0.00 C ATOM 0 H VAL A 60 5.169 -2.448 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 60 3.498 -0.533 -6.062 1.00 0.00 H new ATOM 0 HB VAL A 60 3.793 -1.022 -9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.884 0.491 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.405 -0.998 -8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.600 0.521 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.160 1.411 -9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.971 1.477 -7.333 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.338 0.590 -8.050 1.00 0.00 H new ATOM 838 N ALA A 61 1.556 -2.082 -5.958 1.00 0.00 N ATOM 839 CA ALA A 61 0.460 -3.030 -5.798 1.00 0.00 C ATOM 840 C ALA A 61 -0.883 -2.372 -6.094 1.00 0.00 C ATOM 841 O ALA A 61 -0.994 -1.146 -6.118 1.00 0.00 O ATOM 842 CB ALA A 61 0.467 -3.612 -4.392 1.00 0.00 C ATOM 0 H ALA A 61 1.507 -1.273 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 61 0.604 -3.838 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.357 -4.318 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.411 -4.127 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.351 -2.808 -3.665 1.00 0.00 H new ATOM 848 N THR A 62 -1.903 -3.194 -6.321 1.00 0.00 N ATOM 849 CA THR A 62 -3.238 -2.692 -6.618 1.00 0.00 C ATOM 850 C THR A 62 -4.294 -3.417 -5.792 1.00 0.00 C ATOM 851 O THR A 62 -4.368 -4.646 -5.802 1.00 0.00 O ATOM 852 CB THR A 62 -3.577 -2.845 -8.113 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.687 -2.046 -8.901 1.00 0.00 O ATOM 854 CG2 THR A 62 -5.015 -2.432 -8.387 1.00 0.00 C ATOM 0 H THR A 62 -1.829 -4.211 -6.305 1.00 0.00 H new ATOM 0 HA THR A 62 -3.242 -1.633 -6.359 1.00 0.00 H new ATOM 0 HB THR A 62 -3.460 -3.894 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.908 -2.150 -9.850 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.231 -2.549 -9.449 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.691 -3.061 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.155 -1.390 -8.101 1.00 0.00 H new ATOM 862 N VAL A 63 -5.112 -2.649 -5.079 1.00 0.00 N ATOM 863 CA VAL A 63 -6.166 -3.219 -4.248 1.00 0.00 C ATOM 864 C VAL A 63 -7.545 -2.909 -4.821 1.00 0.00 C ATOM 865 O VAL A 63 -7.944 -1.747 -4.913 1.00 0.00 O ATOM 866 CB VAL A 63 -6.091 -2.690 -2.804 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.141 -3.363 -1.933 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.697 -2.901 -2.232 1.00 0.00 C ATOM 0 H VAL A 63 -5.065 -1.630 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.013 -4.298 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.296 -1.620 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.073 -2.976 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.133 -3.156 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.971 -4.440 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.661 -2.521 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.461 -3.965 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.969 -2.368 -2.843 1.00 0.00 H new ATOM 878 N THR A 64 -8.270 -3.955 -5.204 1.00 0.00 N ATOM 879 CA THR A 64 -9.604 -3.794 -5.768 1.00 0.00 C ATOM 880 C THR A 64 -10.653 -4.483 -4.902 1.00 0.00 C ATOM 881 O THR A 64 -10.396 -5.533 -4.315 1.00 0.00 O ATOM 882 CB THR A 64 -9.682 -4.362 -7.198 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.643 -5.793 -7.159 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.534 -3.842 -8.049 1.00 0.00 C ATOM 0 H THR A 64 -7.956 -4.923 -5.134 1.00 0.00 H new ATOM 0 HA THR A 64 -9.807 -2.724 -5.799 1.00 0.00 H new ATOM 0 HB THR A 64 -10.622 -4.036 -7.645 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.695 -6.147 -8.071 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.610 -4.256 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.583 -2.754 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.586 -4.142 -7.603 1.00 0.00 H new ATOM 892 N GLY A 65 -11.838 -3.884 -4.828 1.00 0.00 N ATOM 893 CA GLY A 65 -12.909 -4.455 -4.032 1.00 0.00 C ATOM 894 C GLY A 65 -12.916 -3.932 -2.610 1.00 0.00 C ATOM 895 O GLY A 65 -13.137 -4.688 -1.663 1.00 0.00 O ATOM 0 H GLY A 65 -12.075 -3.014 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.866 -4.231 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.807 -5.540 -4.016 1.00 0.00 H new ATOM 899 N LEU A 66 -12.673 -2.635 -2.457 1.00 0.00 N ATOM 900 CA LEU A 66 -12.650 -2.010 -1.138 1.00 0.00 C ATOM 901 C LEU A 66 -14.038 -1.513 -0.748 1.00 0.00 C ATOM 902 O LEU A 66 -14.790 -1.019 -1.588 1.00 0.00 O ATOM 903 CB LEU A 66 -11.656 -0.849 -1.119 1.00 0.00 C ATOM 904 CG LEU A 66 -10.180 -1.227 -1.249 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.394 -0.096 -1.895 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.596 -1.574 0.113 1.00 0.00 C ATOM 0 H LEU A 66 -12.489 -1.995 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.335 -2.760 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.909 -0.167 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.789 -0.298 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.105 -2.106 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.346 -0.383 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.796 0.106 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.476 0.801 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.545 -1.840 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.684 -0.714 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.141 -2.417 0.538 1.00 0.00 H new ATOM 918 N GLN A 67 -14.370 -1.645 0.533 1.00 0.00 N ATOM 919 CA GLN A 67 -15.667 -1.207 1.034 1.00 0.00 C ATOM 920 C GLN A 67 -15.502 -0.281 2.235 1.00 0.00 C ATOM 921 O GLN A 67 -14.485 -0.320 2.927 1.00 0.00 O ATOM 922 CB GLN A 67 -16.522 -2.415 1.421 1.00 0.00 C ATOM 923 CG GLN A 67 -16.550 -3.505 0.361 1.00 0.00 C ATOM 924 CD GLN A 67 -17.194 -4.785 0.857 1.00 0.00 C ATOM 925 OE1 GLN A 67 -18.337 -4.781 1.315 1.00 0.00 O ATOM 926 NE2 GLN A 67 -16.462 -5.889 0.768 1.00 0.00 N ATOM 0 H GLN A 67 -13.759 -2.051 1.242 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.168 -0.655 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.142 -2.835 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.542 -2.081 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.094 -3.144 -0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.531 -3.717 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.519 -5.846 0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.843 -6.780 1.086 1.00 0.00 H new ATOM 935 N VAL A 68 -16.509 0.552 2.476 1.00 0.00 N ATOM 936 CA VAL A 68 -16.476 1.488 3.593 1.00 0.00 C ATOM 937 C VAL A 68 -15.851 0.849 4.828 1.00 0.00 C ATOM 938 O VAL A 68 -16.471 0.019 5.492 1.00 0.00 O ATOM 939 CB VAL A 68 -17.889 1.989 3.948 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.823 3.044 5.041 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.588 2.533 2.711 1.00 0.00 C ATOM 0 H VAL A 68 -17.358 0.598 1.912 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.866 2.335 3.278 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.470 1.147 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.831 3.386 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.366 2.616 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.225 3.888 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.585 2.882 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.011 3.362 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.670 1.744 1.963 1.00 0.00 H new ATOM 951 N GLY A 69 -14.617 1.241 5.130 1.00 0.00 N ATOM 952 CA GLY A 69 -13.927 0.696 6.284 1.00 0.00 C ATOM 953 C GLY A 69 -12.471 1.116 6.342 1.00 0.00 C ATOM 954 O GLY A 69 -12.036 1.982 5.581 1.00 0.00 O ATOM 0 H GLY A 69 -14.083 1.926 4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.432 1.022 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.987 -0.392 6.259 1.00 0.00 H new ATOM 958 N THR A 70 -11.715 0.504 7.248 1.00 0.00 N ATOM 959 CA THR A 70 -10.302 0.821 7.404 1.00 0.00 C ATOM 960 C THR A 70 -9.424 -0.319 6.900 1.00 0.00 C ATOM 961 O THR A 70 -9.710 -1.491 7.146 1.00 0.00 O ATOM 962 CB THR A 70 -9.950 1.113 8.875 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.965 1.931 9.468 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.603 1.811 8.981 1.00 0.00 C ATOM 0 H THR A 70 -12.059 -0.215 7.885 1.00 0.00 H new ATOM 0 HA THR A 70 -10.111 1.714 6.809 1.00 0.00 H new ATOM 0 HB THR A 70 -9.892 0.164 9.407 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.735 2.111 10.404 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.376 2.007 10.029 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.828 1.173 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.638 2.754 8.435 1.00 0.00 H new ATOM 972 N TYR A 71 -8.353 0.032 6.196 1.00 0.00 N ATOM 973 CA TYR A 71 -7.434 -0.963 5.657 1.00 0.00 C ATOM 974 C TYR A 71 -5.985 -0.574 5.936 1.00 0.00 C ATOM 975 O TYR A 71 -5.501 0.450 5.455 1.00 0.00 O ATOM 976 CB TYR A 71 -7.649 -1.123 4.151 1.00 0.00 C ATOM 977 CG TYR A 71 -9.017 -1.656 3.788 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.118 -0.811 3.725 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.209 -3.003 3.509 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.370 -1.293 3.395 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.456 -3.494 3.177 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.534 -2.635 3.121 1.00 0.00 C ATOM 983 OH TYR A 71 -12.779 -3.120 2.792 1.00 0.00 O ATOM 0 H TYR A 71 -8.100 0.998 5.986 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.638 -1.914 6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.505 -0.157 3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.889 -1.796 3.753 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.993 0.240 3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.368 -3.679 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.216 -0.623 3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.587 -4.544 2.962 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.719 -4.082 2.612 1.00 0.00 H new ATOM 993 N VAL A 72 -5.298 -1.401 6.718 1.00 0.00 N ATOM 994 CA VAL A 72 -3.904 -1.146 7.061 1.00 0.00 C ATOM 995 C VAL A 72 -2.972 -2.100 6.320 1.00 0.00 C ATOM 996 O VAL A 72 -2.867 -3.276 6.667 1.00 0.00 O ATOM 997 CB VAL A 72 -3.664 -1.286 8.576 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.279 -0.779 8.947 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.739 -0.543 9.355 1.00 0.00 C ATOM 0 H VAL A 72 -5.684 -2.253 7.126 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.686 -0.122 6.759 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.720 -2.342 8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.128 -0.886 10.021 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.525 -1.359 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.190 0.272 8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.555 -0.652 10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.716 0.514 9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.717 -0.958 9.111 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.298 -1.584 5.298 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.375 -2.389 4.507 1.00 0.00 C ATOM 1011 C PHE A 73 0.072 -2.097 4.895 1.00 0.00 C ATOM 1012 O PHE A 73 0.541 -0.964 4.783 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.578 -2.119 3.015 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.987 -2.355 2.550 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.416 -3.629 2.213 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.882 -1.302 2.450 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.712 -3.849 1.786 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.180 -1.516 2.023 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.594 -2.791 1.689 1.00 0.00 C ATOM 0 H PHE A 73 -2.374 -0.612 4.998 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.583 -3.439 4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.301 -1.087 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.903 -2.756 2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.730 -4.460 2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.563 -0.303 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.034 -4.847 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.869 -0.687 1.951 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.606 -2.960 1.352 1.00 0.00 H new ATOM 1029 N THR A 74 0.775 -3.128 5.354 1.00 0.00 N ATOM 1030 CA THR A 74 2.167 -2.984 5.761 1.00 0.00 C ATOM 1031 C THR A 74 3.113 -3.404 4.643 1.00 0.00 C ATOM 1032 O THR A 74 3.192 -4.582 4.293 1.00 0.00 O ATOM 1033 CB THR A 74 2.474 -3.818 7.019 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.786 -3.271 8.150 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.970 -3.850 7.296 1.00 0.00 C ATOM 0 H THR A 74 0.402 -4.072 5.453 1.00 0.00 H new ATOM 0 HA THR A 74 2.322 -1.929 5.987 1.00 0.00 H new ATOM 0 HB THR A 74 2.131 -4.838 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.868 -3.613 8.171 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.162 -4.445 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.488 -4.294 6.446 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.333 -2.834 7.452 1.00 0.00 H new ATOM 1043 N LEU A 75 3.830 -2.435 4.085 1.00 0.00 N ATOM 1044 CA LEU A 75 4.773 -2.705 3.006 1.00 0.00 C ATOM 1045 C LEU A 75 6.181 -2.918 3.553 1.00 0.00 C ATOM 1046 O LEU A 75 6.796 -1.997 4.092 1.00 0.00 O ATOM 1047 CB LEU A 75 4.774 -1.550 2.002 1.00 0.00 C ATOM 1048 CG LEU A 75 6.054 -1.372 1.185 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.187 -2.480 0.152 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.071 -0.007 0.511 1.00 0.00 C ATOM 0 H LEU A 75 3.776 -1.455 4.362 1.00 0.00 H new ATOM 0 HA LEU A 75 4.457 -3.618 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.943 -1.695 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.581 -0.624 2.544 1.00 0.00 H new ATOM 0 HG LEU A 75 6.906 -1.431 1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.104 -2.336 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.221 -3.446 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.331 -2.453 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.989 0.102 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.212 0.081 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.024 0.774 1.270 1.00 0.00 H new ATOM 1062 N THR A 76 6.688 -4.139 3.409 1.00 0.00 N ATOM 1063 CA THR A 76 8.023 -4.473 3.887 1.00 0.00 C ATOM 1064 C THR A 76 9.026 -4.506 2.740 1.00 0.00 C ATOM 1065 O THR A 76 8.775 -5.112 1.698 1.00 0.00 O ATOM 1066 CB THR A 76 8.038 -5.836 4.605 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.993 -5.886 5.584 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.381 -6.080 5.277 1.00 0.00 C ATOM 0 H THR A 76 6.193 -4.913 2.965 1.00 0.00 H new ATOM 0 HA THR A 76 8.309 -3.694 4.594 1.00 0.00 H new ATOM 0 HB THR A 76 7.876 -6.615 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.386 -5.913 6.481 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.367 -7.048 5.777 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.171 -6.071 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.569 -5.296 6.010 1.00 0.00 H new ATOM 1076 N VAL A 77 10.165 -3.849 2.937 1.00 0.00 N ATOM 1077 CA VAL A 77 11.208 -3.804 1.919 1.00 0.00 C ATOM 1078 C VAL A 77 12.581 -4.067 2.527 1.00 0.00 C ATOM 1079 O VAL A 77 12.869 -3.641 3.646 1.00 0.00 O ATOM 1080 CB VAL A 77 11.230 -2.444 1.197 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.918 -2.208 0.464 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.507 -1.321 2.186 1.00 0.00 C ATOM 0 H VAL A 77 10.389 -3.341 3.792 1.00 0.00 H new ATOM 0 HA VAL A 77 10.978 -4.587 1.196 1.00 0.00 H new ATOM 0 HB VAL A 77 12.033 -2.455 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.952 -1.242 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.766 -2.997 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.095 -2.215 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.519 -0.367 1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.727 -1.305 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.474 -1.485 2.661 1.00 0.00 H new ATOM 1092 N LYS A 78 13.427 -4.771 1.782 1.00 0.00 N ATOM 1093 CA LYS A 78 14.773 -5.089 2.246 1.00 0.00 C ATOM 1094 C LYS A 78 15.823 -4.404 1.378 1.00 0.00 C ATOM 1095 O LYS A 78 15.554 -4.036 0.235 1.00 0.00 O ATOM 1096 CB LYS A 78 14.994 -6.603 2.232 1.00 0.00 C ATOM 1097 CG LYS A 78 14.609 -7.286 3.533 1.00 0.00 C ATOM 1098 CD LYS A 78 14.672 -8.799 3.409 1.00 0.00 C ATOM 1099 CE LYS A 78 14.453 -9.478 4.752 1.00 0.00 C ATOM 1100 NZ LYS A 78 15.644 -9.355 5.637 1.00 0.00 N ATOM 0 H LYS A 78 13.204 -5.132 0.854 1.00 0.00 H new ATOM 0 HA LYS A 78 14.875 -4.722 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.415 -7.039 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.044 -6.807 2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.277 -6.957 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.601 -6.985 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.916 -9.139 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.641 -9.092 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.587 -9.036 5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.226 -10.532 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.409 -9.709 6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.428 -9.913 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.928 -8.356 5.701 1.00 0.00 H new ATOM 1114 N ASP A 79 17.021 -4.236 1.929 1.00 0.00 N ATOM 1115 CA ASP A 79 18.113 -3.597 1.204 1.00 0.00 C ATOM 1116 C ASP A 79 19.295 -4.549 1.053 1.00 0.00 C ATOM 1117 O ASP A 79 19.257 -5.681 1.534 1.00 0.00 O ATOM 1118 CB ASP A 79 18.556 -2.324 1.927 1.00 0.00 C ATOM 1119 CG ASP A 79 17.422 -1.662 2.683 1.00 0.00 C ATOM 1120 OD1 ASP A 79 16.309 -1.568 2.123 1.00 0.00 O ATOM 1121 OD2 ASP A 79 17.645 -1.240 3.837 1.00 0.00 O ATOM 0 H ASP A 79 17.260 -4.533 2.875 1.00 0.00 H new ATOM 0 HA ASP A 79 17.752 -3.334 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.360 -2.566 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.964 -1.621 1.201 1.00 0.00 H new ATOM 1126 N GLU A 80 20.343 -4.082 0.382 1.00 0.00 N ATOM 1127 CA GLU A 80 21.535 -4.893 0.166 1.00 0.00 C ATOM 1128 C GLU A 80 22.021 -5.506 1.477 1.00 0.00 C ATOM 1129 O GLU A 80 22.506 -6.637 1.503 1.00 0.00 O ATOM 1130 CB GLU A 80 22.648 -4.048 -0.457 1.00 0.00 C ATOM 1131 CG GLU A 80 23.825 -4.867 -0.959 1.00 0.00 C ATOM 1132 CD GLU A 80 25.015 -4.007 -1.339 1.00 0.00 C ATOM 1133 OE1 GLU A 80 25.077 -3.558 -2.502 1.00 0.00 O ATOM 1134 OE2 GLU A 80 25.885 -3.784 -0.471 1.00 0.00 O ATOM 0 H GLU A 80 20.391 -3.146 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 80 21.275 -5.700 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.236 -3.474 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 80 23.004 -3.330 0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 80 24.125 -5.575 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 80 23.513 -5.452 -1.824 1.00 0.00 H new ATOM 1141 N ARG A 81 21.886 -4.750 2.562 1.00 0.00 N ATOM 1142 CA ARG A 81 22.312 -5.218 3.876 1.00 0.00 C ATOM 1143 C ARG A 81 21.213 -6.039 4.543 1.00 0.00 C ATOM 1144 O ARG A 81 21.124 -6.096 5.769 1.00 0.00 O ATOM 1145 CB ARG A 81 22.688 -4.031 4.766 1.00 0.00 C ATOM 1146 CG ARG A 81 24.012 -3.386 4.392 1.00 0.00 C ATOM 1147 CD ARG A 81 24.503 -2.448 5.484 1.00 0.00 C ATOM 1148 NE ARG A 81 25.956 -2.301 5.468 1.00 0.00 N ATOM 1149 CZ ARG A 81 26.798 -3.302 5.701 1.00 0.00 C ATOM 1150 NH1 ARG A 81 26.334 -4.515 5.966 1.00 0.00 N ATOM 1151 NH2 ARG A 81 28.107 -3.089 5.669 1.00 0.00 N ATOM 0 H ARG A 81 21.486 -3.812 2.557 1.00 0.00 H new ATOM 0 HA ARG A 81 23.187 -5.855 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 81 21.899 -3.281 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.736 -4.365 5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.758 -4.161 4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 81 23.898 -2.833 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.038 -1.470 5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.188 -2.827 6.456 1.00 0.00 H new ATOM 0 HE ARG A 81 26.345 -1.380 5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.328 -4.682 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.983 -5.282 6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 81 28.467 -2.157 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 81 28.753 -3.858 5.848 1.00 0.00 H new ATOM 1165 N ASN A 82 20.378 -6.675 3.727 1.00 0.00 N ATOM 1166 CA ASN A 82 19.284 -7.492 4.239 1.00 0.00 C ATOM 1167 C ASN A 82 18.566 -6.786 5.384 1.00 0.00 C ATOM 1168 O ASN A 82 18.006 -7.430 6.272 1.00 0.00 O ATOM 1169 CB ASN A 82 19.812 -8.849 4.712 1.00 0.00 C ATOM 1170 CG ASN A 82 20.160 -9.768 3.557 1.00 0.00 C ATOM 1171 OD1 ASN A 82 19.375 -9.936 2.624 1.00 0.00 O ATOM 1172 ND2 ASN A 82 21.343 -10.368 3.616 1.00 0.00 N ATOM 0 H ASN A 82 20.438 -6.640 2.709 1.00 0.00 H new ATOM 0 HA ASN A 82 18.571 -7.648 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.696 -8.696 5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.062 -9.328 5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.633 -10.998 2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.962 -10.199 4.409 1.00 0.00 H new ATOM 1179 N LEU A 83 18.586 -5.458 5.358 1.00 0.00 N ATOM 1180 CA LEU A 83 17.936 -4.662 6.394 1.00 0.00 C ATOM 1181 C LEU A 83 16.419 -4.710 6.245 1.00 0.00 C ATOM 1182 O LEU A 83 15.878 -4.368 5.194 1.00 0.00 O ATOM 1183 CB LEU A 83 18.421 -3.213 6.331 1.00 0.00 C ATOM 1184 CG LEU A 83 19.761 -2.923 7.007 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.376 -1.648 6.452 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.586 -2.819 8.515 1.00 0.00 C ATOM 0 H LEU A 83 19.045 -4.909 4.631 1.00 0.00 H new ATOM 0 HA LEU A 83 18.201 -5.085 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.495 -2.921 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.662 -2.577 6.786 1.00 0.00 H new ATOM 0 HG LEU A 83 20.438 -3.750 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.329 -1.459 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.539 -1.759 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.702 -0.811 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.550 -2.612 8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.891 -2.011 8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.191 -3.759 8.901 1.00 0.00 H new ATOM 1198 N GLN A 84 15.739 -5.133 7.306 1.00 0.00 N ATOM 1199 CA GLN A 84 14.283 -5.223 7.293 1.00 0.00 C ATOM 1200 C GLN A 84 13.652 -3.894 7.695 1.00 0.00 C ATOM 1201 O GLN A 84 13.949 -3.352 8.760 1.00 0.00 O ATOM 1202 CB GLN A 84 13.812 -6.332 8.236 1.00 0.00 C ATOM 1203 CG GLN A 84 13.686 -7.689 7.563 1.00 0.00 C ATOM 1204 CD GLN A 84 13.880 -8.840 8.531 1.00 0.00 C ATOM 1205 OE1 GLN A 84 14.482 -8.678 9.593 1.00 0.00 O ATOM 1206 NE2 GLN A 84 13.370 -10.011 8.168 1.00 0.00 N ATOM 0 H GLN A 84 16.172 -5.418 8.184 1.00 0.00 H new ATOM 0 HA GLN A 84 13.967 -5.461 6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.512 -6.412 9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 84 12.846 -6.053 8.657 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.703 -7.771 7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.423 -7.764 6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.879 -10.100 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.470 -10.822 8.779 1.00 0.00 H new ATOM 1215 N SER A 85 12.780 -3.375 6.837 1.00 0.00 N ATOM 1216 CA SER A 85 12.110 -2.107 7.101 1.00 0.00 C ATOM 1217 C SER A 85 10.771 -2.039 6.374 1.00 0.00 C ATOM 1218 O SER A 85 10.716 -2.102 5.146 1.00 0.00 O ATOM 1219 CB SER A 85 12.997 -0.938 6.671 1.00 0.00 C ATOM 1220 OG SER A 85 14.350 -1.166 7.026 1.00 0.00 O ATOM 0 H SER A 85 12.521 -3.813 5.953 1.00 0.00 H new ATOM 0 HA SER A 85 11.926 -2.038 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.920 -0.796 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.645 -0.019 7.139 1.00 0.00 H new ATOM 0 HG SER A 85 14.896 -0.405 6.739 1.00 0.00 H new ATOM 1226 N GLN A 86 9.694 -1.910 7.141 1.00 0.00 N ATOM 1227 CA GLN A 86 8.354 -1.834 6.571 1.00 0.00 C ATOM 1228 C GLN A 86 7.580 -0.656 7.153 1.00 0.00 C ATOM 1229 O GLN A 86 7.962 -0.097 8.182 1.00 0.00 O ATOM 1230 CB GLN A 86 7.593 -3.136 6.827 1.00 0.00 C ATOM 1231 CG GLN A 86 7.124 -3.294 8.264 1.00 0.00 C ATOM 1232 CD GLN A 86 6.945 -4.745 8.663 1.00 0.00 C ATOM 1233 OE1 GLN A 86 6.309 -5.523 7.952 1.00 0.00 O ATOM 1234 NE2 GLN A 86 7.507 -5.118 9.807 1.00 0.00 N ATOM 0 H GLN A 86 9.723 -1.856 8.159 1.00 0.00 H new ATOM 0 HA GLN A 86 8.452 -1.684 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.728 -3.178 6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.234 -3.979 6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.846 -2.824 8.932 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.179 -2.766 8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.026 -4.440 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.420 -6.083 10.127 1.00 0.00 H new ATOM 1243 N SER A 87 6.491 -0.283 6.489 1.00 0.00 N ATOM 1244 CA SER A 87 5.665 0.832 6.938 1.00 0.00 C ATOM 1245 C SER A 87 4.197 0.589 6.605 1.00 0.00 C ATOM 1246 O SER A 87 3.865 0.120 5.516 1.00 0.00 O ATOM 1247 CB SER A 87 6.138 2.136 6.294 1.00 0.00 C ATOM 1248 OG SER A 87 5.691 3.261 7.031 1.00 0.00 O ATOM 0 H SER A 87 6.160 -0.737 5.638 1.00 0.00 H new ATOM 0 HA SER A 87 5.765 0.913 8.020 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.227 2.143 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.766 2.196 5.271 1.00 0.00 H new ATOM 0 HG SER A 87 6.008 4.082 6.600 1.00 0.00 H new ATOM 1254 N SER A 88 3.320 0.912 7.551 1.00 0.00 N ATOM 1255 CA SER A 88 1.887 0.726 7.361 1.00 0.00 C ATOM 1256 C SER A 88 1.217 2.038 6.965 1.00 0.00 C ATOM 1257 O SER A 88 1.559 3.103 7.478 1.00 0.00 O ATOM 1258 CB SER A 88 1.248 0.179 8.639 1.00 0.00 C ATOM 1259 OG SER A 88 2.033 -0.860 9.197 1.00 0.00 O ATOM 0 H SER A 88 3.578 1.304 8.457 1.00 0.00 H new ATOM 0 HA SER A 88 1.743 0.007 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.134 0.983 9.366 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.248 -0.195 8.418 1.00 0.00 H new ATOM 0 HG SER A 88 1.658 -1.728 8.939 1.00 0.00 H new ATOM 1265 N VAL A 89 0.258 1.953 6.047 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.462 3.132 5.582 1.00 0.00 C ATOM 1267 C VAL A 89 -1.952 3.022 5.887 1.00 0.00 C ATOM 1268 O VAL A 89 -2.565 1.979 5.664 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.273 3.345 4.069 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.744 2.122 3.295 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.011 4.593 3.610 1.00 0.00 C ATOM 0 H VAL A 89 -0.038 1.079 5.611 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.047 3.987 6.116 1.00 0.00 H new ATOM 0 HB VAL A 89 0.789 3.485 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.603 2.291 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.166 1.251 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.801 1.947 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.866 4.728 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.075 4.485 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.622 5.462 4.141 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.527 4.106 6.397 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.947 4.131 6.732 1.00 0.00 C ATOM 1283 C ASN A 90 -4.790 4.465 5.506 1.00 0.00 C ATOM 1284 O ASN A 90 -4.705 5.566 4.962 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.212 5.152 7.841 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.733 4.671 9.197 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.647 3.468 9.446 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.420 5.610 10.081 1.00 0.00 N ATOM 0 H ASN A 90 -2.033 4.978 6.587 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.229 3.139 7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.714 6.090 7.594 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.280 5.362 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.093 5.347 11.010 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.507 6.595 9.831 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.604 3.506 5.075 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.464 3.698 3.913 1.00 0.00 C ATOM 1297 C VAL A 91 -7.930 3.777 4.323 1.00 0.00 C ATOM 1298 O VAL A 91 -8.553 2.762 4.637 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.288 2.561 2.890 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.259 2.730 1.731 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.852 2.511 2.391 1.00 0.00 C ATOM 0 H VAL A 91 -5.686 2.589 5.513 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.167 4.640 3.451 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.510 1.615 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.120 1.917 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.282 2.711 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.072 3.683 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.746 1.702 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.599 3.458 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.180 2.337 3.232 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.476 4.989 4.316 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.871 5.199 4.685 1.00 0.00 C ATOM 1313 C ILE A 92 -10.762 5.268 3.449 1.00 0.00 C ATOM 1314 O ILE A 92 -10.386 5.847 2.430 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.047 6.492 5.504 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.316 6.377 6.843 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.524 6.783 5.723 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.814 7.701 7.373 1.00 0.00 C ATOM 0 H ILE A 92 -7.974 5.839 4.059 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.168 4.347 5.297 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.613 7.321 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.988 5.932 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.472 5.697 6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.632 7.699 6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.018 6.903 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.982 5.955 6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.306 7.543 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.117 8.138 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.656 8.377 7.519 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.947 4.674 3.548 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.894 4.669 2.439 1.00 0.00 C ATOM 1332 C VAL A 93 -14.237 5.255 2.862 1.00 0.00 C ATOM 1333 O VAL A 93 -14.913 4.717 3.739 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.116 3.245 1.896 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.214 3.240 0.843 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.820 2.684 1.330 1.00 0.00 C ATOM 0 H VAL A 93 -12.274 4.190 4.384 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.462 5.286 1.651 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.433 2.605 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.357 2.225 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.144 3.599 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.929 3.892 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.994 1.677 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.471 3.322 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.065 2.650 2.115 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.619 6.361 2.232 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.882 7.020 2.540 1.00 0.00 C ATOM 1348 C LYS A 94 -16.915 6.753 1.450 1.00 0.00 C ATOM 1349 O LYS A 94 -16.609 6.134 0.432 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.669 8.528 2.697 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.989 8.914 3.999 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.369 10.298 3.915 1.00 0.00 C ATOM 1353 CE LYS A 94 -13.718 10.698 5.230 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.387 10.055 5.409 1.00 0.00 N ATOM 0 H LYS A 94 -14.071 6.820 1.504 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.256 6.612 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.069 8.891 1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.634 9.031 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.715 8.888 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.217 8.182 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.625 10.317 3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.136 11.026 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.605 11.782 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.370 10.419 6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.302 9.698 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.291 9.264 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.637 10.753 5.230 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.138 7.225 1.672 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.215 7.036 0.708 1.00 0.00 C ATOM 1370 C GLU A 95 -19.376 8.269 -0.176 1.00 0.00 C ATOM 1371 O GLU A 95 -19.154 9.396 0.267 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.531 6.738 1.430 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.476 5.497 2.306 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.792 5.220 3.007 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.853 5.423 2.381 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -21.760 4.798 4.182 1.00 0.00 O ATOM 0 H GLU A 95 -18.407 7.740 2.510 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.956 6.187 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.800 7.596 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.322 6.616 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.206 4.636 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.690 5.617 3.051 1.00 0.00 H new