USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 598 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 79 HIS : no HD1:sc= -6.3! C(o=-6.8!,f=-6.8!) USER MOD Set 1.2: A 83 SER OG : rot -92:sc= -0.545 USER MOD Set 2.1: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 58 CYS SG : rot 180:sc= -0.717 USER MOD Set 3.1: A 39 SER OG : rot 127:sc= 1.84 USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0.867 USER MOD Set 4.1: A 33 MET CE :methyl 146:sc= -0.0043 (180deg=-0.289) USER MOD Set 4.2: A 57 HIS : no HD1:sc= -0.476 K(o=-0.48,f=-1.3) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0276 X(o=-0.028,f=-0.53) USER MOD Single : A 30 SER OG : rot 180:sc= -0.361 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 41:sc= 0.238 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -112:sc= -1.58! (180deg=-4.43!) USER MOD Single : A 55 ASN : amide:sc= 0.238 K(o=0.24,f=-2.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.55) USER MOD Single : A 66 MET CE :methyl -128:sc= -1.68 (180deg=-3.64!) USER MOD Single : A 69 HIS : no HD1:sc= -2.65 K(o=-2.7,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -173:sc= -0.757 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 165:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.788 -6.300 -5.246 1.00 0.00 N ATOM 142 CA ALA A 13 -2.428 -6.544 -4.781 1.00 0.00 C ATOM 143 C ALA A 13 -2.044 -8.010 -4.952 1.00 0.00 C ATOM 144 O ALA A 13 -2.788 -8.908 -4.557 1.00 0.00 O ATOM 145 CB ALA A 13 -2.286 -6.126 -3.325 1.00 0.00 C ATOM 0 HA ALA A 13 -1.750 -5.945 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.266 -6.314 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.510 -5.064 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.980 -6.701 -2.712 1.00 0.00 H new ATOM 151 N THR A 14 -0.877 -8.246 -5.544 1.00 0.00 N ATOM 152 CA THR A 14 -0.395 -9.603 -5.770 1.00 0.00 C ATOM 153 C THR A 14 0.546 -10.044 -4.654 1.00 0.00 C ATOM 154 O THR A 14 1.283 -9.233 -4.093 1.00 0.00 O ATOM 155 CB THR A 14 0.336 -9.722 -7.120 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.456 -9.137 -8.159 1.00 0.00 O ATOM 157 CG2 THR A 14 0.624 -11.178 -7.453 1.00 0.00 C ATOM 0 H THR A 14 -0.248 -7.515 -5.876 1.00 0.00 H new ATOM 0 HA THR A 14 -1.270 -10.252 -5.782 1.00 0.00 H new ATOM 0 HB THR A 14 1.284 -9.189 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.017 -9.215 -9.014 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.141 -11.237 -8.411 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.252 -11.612 -6.675 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.314 -11.730 -7.512 1.00 0.00 H new ATOM 165 N VAL A 15 0.517 -11.335 -4.338 1.00 0.00 N ATOM 166 CA VAL A 15 1.369 -11.885 -3.290 1.00 0.00 C ATOM 167 C VAL A 15 2.804 -12.047 -3.778 1.00 0.00 C ATOM 168 O VAL A 15 3.045 -12.554 -4.873 1.00 0.00 O ATOM 169 CB VAL A 15 0.847 -13.249 -2.801 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.911 -14.278 -3.919 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.638 -13.717 -1.588 1.00 0.00 C ATOM 0 H VAL A 15 -0.087 -12.019 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 15 1.348 -11.178 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.196 -13.135 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.538 -15.235 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.297 -13.945 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.943 -14.393 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.256 -14.682 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.690 -13.815 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.535 -12.989 -0.783 1.00 0.00 H new ATOM 181 N GLY A 16 3.755 -11.612 -2.957 1.00 0.00 N ATOM 182 CA GLY A 16 5.156 -11.718 -3.322 1.00 0.00 C ATOM 183 C GLY A 16 5.639 -10.524 -4.120 1.00 0.00 C ATOM 184 O GLY A 16 6.750 -10.036 -3.910 1.00 0.00 O ATOM 0 H GLY A 16 3.580 -11.188 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.757 -11.814 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.309 -12.626 -3.905 1.00 0.00 H new ATOM 188 N SER A 17 4.804 -10.051 -5.040 1.00 0.00 N ATOM 189 CA SER A 17 5.155 -8.910 -5.877 1.00 0.00 C ATOM 190 C SER A 17 5.084 -7.610 -5.080 1.00 0.00 C ATOM 191 O SER A 17 4.271 -7.475 -4.165 1.00 0.00 O ATOM 192 CB SER A 17 4.222 -8.831 -7.087 1.00 0.00 C ATOM 193 OG SER A 17 4.330 -9.994 -7.890 1.00 0.00 O ATOM 0 H SER A 17 3.880 -10.441 -5.224 1.00 0.00 H new ATOM 0 HA SER A 17 6.179 -9.048 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.192 -8.712 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.466 -7.951 -7.682 1.00 0.00 H new ATOM 0 HG SER A 17 3.723 -9.920 -8.656 1.00 0.00 H new ATOM 199 N ILE A 18 5.940 -6.658 -5.435 1.00 0.00 N ATOM 200 CA ILE A 18 5.974 -5.370 -4.755 1.00 0.00 C ATOM 201 C ILE A 18 4.683 -4.592 -4.987 1.00 0.00 C ATOM 202 O ILE A 18 4.224 -4.455 -6.122 1.00 0.00 O ATOM 203 CB ILE A 18 7.166 -4.516 -5.225 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.459 -5.332 -5.168 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.287 -3.261 -4.374 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.709 -5.976 -3.823 1.00 0.00 C ATOM 0 H ILE A 18 6.619 -6.755 -6.190 1.00 0.00 H new ATOM 0 HA ILE A 18 6.084 -5.578 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 18 6.994 -4.215 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.423 -6.108 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.300 -4.683 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.134 -2.668 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.373 -2.673 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.440 -3.541 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.642 -6.538 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.778 -5.204 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.887 -6.651 -3.585 1.00 0.00 H new ATOM 218 N CYS A 19 4.104 -4.082 -3.906 1.00 0.00 N ATOM 219 CA CYS A 19 2.865 -3.315 -3.992 1.00 0.00 C ATOM 220 C CYS A 19 3.139 -1.822 -3.845 1.00 0.00 C ATOM 221 O CYS A 19 3.527 -1.354 -2.775 1.00 0.00 O ATOM 222 CB CYS A 19 1.882 -3.774 -2.914 1.00 0.00 C ATOM 223 SG CYS A 19 0.151 -3.419 -3.295 1.00 0.00 S ATOM 0 H CYS A 19 4.472 -4.185 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 19 2.425 -3.490 -4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.997 -4.848 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.142 -3.292 -1.971 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.603 -3.846 -2.326 1.00 0.00 H new ATOM 229 N ASP A 20 2.936 -1.080 -4.928 1.00 0.00 N ATOM 230 CA ASP A 20 3.161 0.361 -4.921 1.00 0.00 C ATOM 231 C ASP A 20 1.861 1.113 -4.655 1.00 0.00 C ATOM 232 O ASP A 20 0.791 0.705 -5.109 1.00 0.00 O ATOM 233 CB ASP A 20 3.762 0.811 -6.253 1.00 0.00 C ATOM 234 CG ASP A 20 3.164 0.076 -7.436 1.00 0.00 C ATOM 235 OD1 ASP A 20 2.062 0.462 -7.879 1.00 0.00 O ATOM 236 OD2 ASP A 20 3.797 -0.887 -7.919 1.00 0.00 O ATOM 0 H ASP A 20 2.616 -1.452 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 20 3.862 0.590 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.603 1.882 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.840 0.649 -6.235 1.00 0.00 H new ATOM 241 N LEU A 21 1.960 2.213 -3.917 1.00 0.00 N ATOM 242 CA LEU A 21 0.791 3.022 -3.589 1.00 0.00 C ATOM 243 C LEU A 21 0.836 4.362 -4.317 1.00 0.00 C ATOM 244 O LEU A 21 1.879 5.011 -4.380 1.00 0.00 O ATOM 245 CB LEU A 21 0.713 3.252 -2.079 1.00 0.00 C ATOM 246 CG LEU A 21 -0.684 3.504 -1.510 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.533 2.245 -1.601 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.595 3.985 -0.069 1.00 0.00 C ATOM 0 H LEU A 21 2.837 2.565 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.098 2.481 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.137 2.382 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.345 4.104 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.161 4.284 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.523 2.444 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.626 1.943 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.059 1.445 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.599 4.159 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.098 3.228 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.025 4.913 -0.030 1.00 0.00 H new ATOM 260 N ASN A 22 -0.305 4.771 -4.863 1.00 0.00 N ATOM 261 CA ASN A 22 -0.397 6.035 -5.585 1.00 0.00 C ATOM 262 C ASN A 22 -0.901 7.148 -4.672 1.00 0.00 C ATOM 263 O ASN A 22 -2.097 7.241 -4.391 1.00 0.00 O ATOM 264 CB ASN A 22 -1.326 5.890 -6.792 1.00 0.00 C ATOM 265 CG ASN A 22 -1.181 4.544 -7.476 1.00 0.00 C ATOM 266 OD1 ASN A 22 -2.036 3.669 -7.337 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.093 4.372 -8.218 1.00 0.00 N ATOM 0 H ASN A 22 -1.178 4.246 -4.819 1.00 0.00 H new ATOM 0 HA ASN A 22 0.602 6.299 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.359 6.021 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.113 6.683 -7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.060 3.487 -8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.589 5.125 -8.305 1.00 0.00 H new ATOM 274 N LEU A 23 0.018 7.989 -4.211 1.00 0.00 N ATOM 275 CA LEU A 23 -0.333 9.097 -3.330 1.00 0.00 C ATOM 276 C LEU A 23 0.342 10.388 -3.782 1.00 0.00 C ATOM 277 O LEU A 23 1.548 10.417 -4.030 1.00 0.00 O ATOM 278 CB LEU A 23 0.069 8.776 -1.889 1.00 0.00 C ATOM 279 CG LEU A 23 -0.956 7.997 -1.064 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.271 7.247 0.068 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.023 8.933 -0.517 1.00 0.00 C ATOM 0 H LEU A 23 1.012 7.925 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.413 9.238 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.998 8.206 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.283 9.713 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.440 7.269 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.016 6.698 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.455 6.547 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.240 7.957 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.744 8.361 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.556 9.685 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.535 9.424 -1.344 1.00 0.00 H new ATOM 293 N LYS A 24 -0.443 11.455 -3.886 1.00 0.00 N ATOM 294 CA LYS A 24 0.079 12.751 -4.305 1.00 0.00 C ATOM 295 C LYS A 24 -0.383 13.855 -3.359 1.00 0.00 C ATOM 296 O LYS A 24 -1.504 14.351 -3.469 1.00 0.00 O ATOM 297 CB LYS A 24 -0.372 13.067 -5.733 1.00 0.00 C ATOM 298 CG LYS A 24 -1.880 13.051 -5.913 1.00 0.00 C ATOM 299 CD LYS A 24 -2.266 12.794 -7.360 1.00 0.00 C ATOM 300 CE LYS A 24 -3.719 12.361 -7.481 1.00 0.00 C ATOM 301 NZ LYS A 24 -4.096 12.072 -8.892 1.00 0.00 N ATOM 0 H LYS A 24 -1.443 11.448 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 24 1.168 12.704 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.009 14.048 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.074 12.343 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.315 12.280 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.296 14.005 -5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.105 13.698 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.619 12.023 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.885 11.473 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.366 13.144 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.093 11.780 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.962 12.927 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.496 11.307 -9.262 1.00 0.00 H new ATOM 315 N ILE A 25 0.489 14.235 -2.431 1.00 0.00 N ATOM 316 CA ILE A 25 0.171 15.282 -1.468 1.00 0.00 C ATOM 317 C ILE A 25 1.248 16.362 -1.455 1.00 0.00 C ATOM 318 O ILE A 25 2.260 16.256 -0.762 1.00 0.00 O ATOM 319 CB ILE A 25 0.015 14.711 -0.047 1.00 0.00 C ATOM 320 CG1 ILE A 25 -0.624 13.322 -0.099 1.00 0.00 C ATOM 321 CG2 ILE A 25 -0.817 15.651 0.813 1.00 0.00 C ATOM 322 CD1 ILE A 25 -0.739 12.658 1.255 1.00 0.00 C ATOM 0 H ILE A 25 1.421 13.834 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.777 15.721 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 25 1.004 14.619 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.618 13.404 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.035 12.685 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.918 15.234 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.324 16.622 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.805 15.772 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.201 11.677 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.254 12.543 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.353 13.274 1.911 1.00 0.00 H new ATOM 334 N PRO A 26 1.025 17.429 -2.236 1.00 0.00 N ATOM 335 CA PRO A 26 1.964 18.551 -2.330 1.00 0.00 C ATOM 336 C PRO A 26 2.011 19.377 -1.049 1.00 0.00 C ATOM 337 O PRO A 26 2.994 20.065 -0.779 1.00 0.00 O ATOM 338 CB PRO A 26 1.405 19.386 -3.484 1.00 0.00 C ATOM 339 CG PRO A 26 -0.048 19.059 -3.519 1.00 0.00 C ATOM 340 CD PRO A 26 -0.160 17.623 -3.088 1.00 0.00 C ATOM 0 HA PRO A 26 2.988 18.213 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.567 20.451 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.890 19.134 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.611 19.712 -2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.455 19.199 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.084 17.439 -2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.156 16.946 -3.942 1.00 0.00 H new ATOM 348 N GLU A 27 0.941 19.302 -0.263 1.00 0.00 N ATOM 349 CA GLU A 27 0.861 20.044 0.990 1.00 0.00 C ATOM 350 C GLU A 27 1.648 19.338 2.091 1.00 0.00 C ATOM 351 O GLU A 27 1.939 19.925 3.134 1.00 0.00 O ATOM 352 CB GLU A 27 -0.598 20.210 1.418 1.00 0.00 C ATOM 353 CG GLU A 27 -1.298 21.382 0.750 1.00 0.00 C ATOM 354 CD GLU A 27 -0.932 22.714 1.376 1.00 0.00 C ATOM 355 OE1 GLU A 27 0.264 22.921 1.671 1.00 0.00 O ATOM 356 OE2 GLU A 27 -1.841 23.548 1.572 1.00 0.00 O ATOM 0 H GLU A 27 0.119 18.736 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 27 1.299 21.029 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.142 19.294 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.638 20.342 2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.040 21.399 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.377 21.240 0.813 1.00 0.00 H new ATOM 363 N ILE A 28 1.988 18.076 1.851 1.00 0.00 N ATOM 364 CA ILE A 28 2.741 17.291 2.821 1.00 0.00 C ATOM 365 C ILE A 28 3.964 16.648 2.177 1.00 0.00 C ATOM 366 O ILE A 28 3.954 16.321 0.991 1.00 0.00 O ATOM 367 CB ILE A 28 1.869 16.190 3.453 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.608 16.799 4.069 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.661 15.423 4.501 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.408 15.768 4.509 1.00 0.00 C ATOM 0 H ILE A 28 1.754 17.576 0.994 1.00 0.00 H new ATOM 0 HA ILE A 28 3.064 17.980 3.602 1.00 0.00 H new ATOM 0 HB ILE A 28 1.568 15.492 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.891 17.408 4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.145 17.467 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.031 14.649 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.531 14.962 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.989 16.108 5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.276 16.271 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.719 15.174 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.038 15.115 5.259 1.00 0.00 H new ATOM 382 N ASN A 29 5.017 16.467 2.968 1.00 0.00 N ATOM 383 CA ASN A 29 6.249 15.861 2.475 1.00 0.00 C ATOM 384 C ASN A 29 6.297 14.374 2.814 1.00 0.00 C ATOM 385 O ASN A 29 5.365 13.832 3.407 1.00 0.00 O ATOM 386 CB ASN A 29 7.465 16.572 3.072 1.00 0.00 C ATOM 387 CG ASN A 29 7.745 17.902 2.400 1.00 0.00 C ATOM 388 OD1 ASN A 29 7.702 18.012 1.174 1.00 0.00 O ATOM 389 ND2 ASN A 29 8.034 18.921 3.201 1.00 0.00 N ATOM 0 H ASN A 29 5.042 16.731 3.953 1.00 0.00 H new ATOM 0 HA ASN A 29 6.270 15.969 1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.301 16.734 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.340 15.929 2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.232 19.840 2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.058 18.784 4.212 1.00 0.00 H new ATOM 396 N SER A 30 7.391 13.722 2.435 1.00 0.00 N ATOM 397 CA SER A 30 7.560 12.297 2.696 1.00 0.00 C ATOM 398 C SER A 30 8.258 12.069 4.033 1.00 0.00 C ATOM 399 O SER A 30 8.218 10.970 4.587 1.00 0.00 O ATOM 400 CB SER A 30 8.364 11.643 1.570 1.00 0.00 C ATOM 401 OG SER A 30 8.671 10.295 1.879 1.00 0.00 O ATOM 0 H SER A 30 8.173 14.157 1.946 1.00 0.00 H new ATOM 0 HA SER A 30 6.571 11.841 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.796 11.686 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.286 12.201 1.406 1.00 0.00 H new ATOM 0 HG SER A 30 9.184 9.899 1.143 1.00 0.00 H new ATOM 407 N SER A 31 8.897 13.115 4.546 1.00 0.00 N ATOM 408 CA SER A 31 9.607 13.029 5.817 1.00 0.00 C ATOM 409 C SER A 31 8.631 13.059 6.988 1.00 0.00 C ATOM 410 O SER A 31 8.830 12.379 7.995 1.00 0.00 O ATOM 411 CB SER A 31 10.609 14.179 5.944 1.00 0.00 C ATOM 412 OG SER A 31 11.056 14.320 7.281 1.00 0.00 O ATOM 0 H SER A 31 8.938 14.032 4.101 1.00 0.00 H new ATOM 0 HA SER A 31 10.146 12.082 5.840 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.461 13.997 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.145 15.108 5.612 1.00 0.00 H new ATOM 0 HG SER A 31 11.696 15.060 7.336 1.00 0.00 H new ATOM 418 N ASP A 32 7.574 13.853 6.849 1.00 0.00 N ATOM 419 CA ASP A 32 6.565 13.972 7.895 1.00 0.00 C ATOM 420 C ASP A 32 5.526 12.860 7.777 1.00 0.00 C ATOM 421 O ASP A 32 4.708 12.664 8.675 1.00 0.00 O ATOM 422 CB ASP A 32 5.879 15.337 7.818 1.00 0.00 C ATOM 423 CG ASP A 32 5.448 15.691 6.408 1.00 0.00 C ATOM 424 OD1 ASP A 32 5.121 14.764 5.639 1.00 0.00 O ATOM 425 OD2 ASP A 32 5.439 16.894 6.075 1.00 0.00 O ATOM 0 H ASP A 32 7.394 14.423 6.023 1.00 0.00 H new ATOM 0 HA ASP A 32 7.064 13.878 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.007 15.339 8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.559 16.103 8.190 1.00 0.00 H new ATOM 430 N MET A 33 5.565 12.137 6.662 1.00 0.00 N ATOM 431 CA MET A 33 4.628 11.045 6.427 1.00 0.00 C ATOM 432 C MET A 33 5.162 9.737 7.000 1.00 0.00 C ATOM 433 O MET A 33 6.373 9.541 7.100 1.00 0.00 O ATOM 434 CB MET A 33 4.360 10.888 4.929 1.00 0.00 C ATOM 435 CG MET A 33 3.255 11.793 4.411 1.00 0.00 C ATOM 436 SD MET A 33 3.198 11.859 2.610 1.00 0.00 S ATOM 437 CE MET A 33 2.791 10.158 2.222 1.00 0.00 C ATOM 0 H MET A 33 6.235 12.288 5.908 1.00 0.00 H new ATOM 0 HA MET A 33 3.693 11.287 6.932 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.278 11.098 4.380 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.096 9.851 4.722 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.295 11.440 4.788 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.401 12.799 4.803 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.159 10.128 1.335 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.707 9.599 2.033 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.259 9.711 3.062 1.00 0.00 H new ATOM 447 N SER A 34 4.251 8.844 7.376 1.00 0.00 N ATOM 448 CA SER A 34 4.632 7.556 7.943 1.00 0.00 C ATOM 449 C SER A 34 3.612 6.480 7.580 1.00 0.00 C ATOM 450 O SER A 34 2.437 6.579 7.933 1.00 0.00 O ATOM 451 CB SER A 34 4.759 7.662 9.464 1.00 0.00 C ATOM 452 OG SER A 34 3.552 8.125 10.046 1.00 0.00 O ATOM 0 H SER A 34 3.244 8.989 7.298 1.00 0.00 H new ATOM 0 HA SER A 34 5.598 7.273 7.524 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.016 6.688 9.879 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.573 8.341 9.718 1.00 0.00 H new ATOM 0 HG SER A 34 2.790 7.696 9.604 1.00 0.00 H new ATOM 458 N ALA A 35 4.072 5.453 6.873 1.00 0.00 N ATOM 459 CA ALA A 35 3.202 4.357 6.464 1.00 0.00 C ATOM 460 C ALA A 35 3.638 3.043 7.102 1.00 0.00 C ATOM 461 O ALA A 35 4.812 2.675 7.049 1.00 0.00 O ATOM 462 CB ALA A 35 3.189 4.232 4.948 1.00 0.00 C ATOM 0 H ALA A 35 5.042 5.357 6.572 1.00 0.00 H new ATOM 0 HA ALA A 35 2.192 4.579 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.536 3.410 4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.822 5.160 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.200 4.036 4.590 1.00 0.00 H new ATOM 468 N HIS A 36 2.685 2.338 7.705 1.00 0.00 N ATOM 469 CA HIS A 36 2.971 1.063 8.353 1.00 0.00 C ATOM 470 C HIS A 36 2.077 -0.041 7.799 1.00 0.00 C ATOM 471 O HIS A 36 0.852 0.087 7.783 1.00 0.00 O ATOM 472 CB HIS A 36 2.778 1.181 9.865 1.00 0.00 C ATOM 473 CG HIS A 36 3.575 2.287 10.486 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.030 3.505 10.833 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.884 2.353 10.824 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.969 4.273 11.356 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.104 3.597 11.362 1.00 0.00 N ATOM 0 H HIS A 36 1.709 2.628 7.758 1.00 0.00 H new ATOM 0 HA HIS A 36 4.009 0.803 8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.721 1.343 10.077 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.056 0.237 10.333 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.619 1.572 10.695 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.832 5.282 11.717 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.998 3.943 11.710 1.00 0.00 H new ATOM 486 N VAL A 37 2.696 -1.125 7.343 1.00 0.00 N ATOM 487 CA VAL A 37 1.956 -2.252 6.788 1.00 0.00 C ATOM 488 C VAL A 37 1.475 -3.190 7.890 1.00 0.00 C ATOM 489 O VAL A 37 2.230 -4.031 8.379 1.00 0.00 O ATOM 490 CB VAL A 37 2.815 -3.050 5.789 1.00 0.00 C ATOM 491 CG1 VAL A 37 2.056 -4.269 5.286 1.00 0.00 C ATOM 492 CG2 VAL A 37 3.245 -2.164 4.630 1.00 0.00 C ATOM 0 H VAL A 37 3.709 -1.247 7.347 1.00 0.00 H new ATOM 0 HA VAL A 37 1.094 -1.838 6.265 1.00 0.00 H new ATOM 0 HB VAL A 37 3.711 -3.397 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.679 -4.820 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.803 -4.913 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.141 -3.948 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.851 -2.744 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.362 -1.786 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.830 -1.327 5.010 1.00 0.00 H new ATOM 502 N THR A 38 0.212 -3.040 8.277 1.00 0.00 N ATOM 503 CA THR A 38 -0.371 -3.873 9.321 1.00 0.00 C ATOM 504 C THR A 38 -0.862 -5.200 8.756 1.00 0.00 C ATOM 505 O THR A 38 -1.457 -5.245 7.679 1.00 0.00 O ATOM 506 CB THR A 38 -1.544 -3.159 10.019 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.149 -1.842 10.418 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.009 -3.945 11.236 1.00 0.00 C ATOM 0 H THR A 38 -0.427 -2.349 7.883 1.00 0.00 H new ATOM 0 HA THR A 38 0.416 -4.062 10.051 1.00 0.00 H new ATOM 0 HB THR A 38 -2.371 -3.091 9.312 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.901 -1.395 10.859 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.838 -3.421 11.712 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.337 -4.937 10.925 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.186 -4.041 11.944 1.00 0.00 H new ATOM 516 N SER A 39 -0.611 -6.280 9.490 1.00 0.00 N ATOM 517 CA SER A 39 -1.026 -7.610 9.060 1.00 0.00 C ATOM 518 C SER A 39 -2.277 -8.058 9.809 1.00 0.00 C ATOM 519 O SER A 39 -2.552 -7.621 10.927 1.00 0.00 O ATOM 520 CB SER A 39 0.104 -8.617 9.283 1.00 0.00 C ATOM 521 OG SER A 39 0.019 -9.201 10.571 1.00 0.00 O ATOM 0 H SER A 39 -0.122 -6.260 10.385 1.00 0.00 H new ATOM 0 HA SER A 39 -1.258 -7.565 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.056 -9.397 8.523 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.067 -8.119 9.169 1.00 0.00 H new ATOM 0 HG SER A 39 0.029 -10.177 10.489 1.00 0.00 H new ATOM 527 N PRO A 40 -3.054 -8.952 9.180 1.00 0.00 N ATOM 528 CA PRO A 40 -4.289 -9.480 9.769 1.00 0.00 C ATOM 529 C PRO A 40 -4.018 -10.402 10.953 1.00 0.00 C ATOM 530 O PRO A 40 -4.945 -10.840 11.635 1.00 0.00 O ATOM 531 CB PRO A 40 -4.925 -10.262 8.616 1.00 0.00 C ATOM 532 CG PRO A 40 -3.782 -10.639 7.739 1.00 0.00 C ATOM 533 CD PRO A 40 -2.788 -9.516 7.847 1.00 0.00 C ATOM 0 HA PRO A 40 -4.923 -8.687 10.166 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.453 -11.144 8.979 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.653 -9.654 8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.340 -11.583 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.109 -10.773 6.708 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.763 -9.877 7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.932 -8.775 7.061 1.00 0.00 H new ATOM 541 N SER A 41 -2.744 -10.693 11.191 1.00 0.00 N ATOM 542 CA SER A 41 -2.352 -11.566 12.291 1.00 0.00 C ATOM 543 C SER A 41 -1.972 -10.751 13.523 1.00 0.00 C ATOM 544 O SER A 41 -1.839 -11.289 14.622 1.00 0.00 O ATOM 545 CB SER A 41 -1.179 -12.455 11.872 1.00 0.00 C ATOM 546 OG SER A 41 -0.035 -11.678 11.565 1.00 0.00 O ATOM 0 H SER A 41 -1.965 -10.337 10.637 1.00 0.00 H new ATOM 0 HA SER A 41 -3.205 -12.196 12.543 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.943 -13.154 12.675 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.462 -13.050 11.004 1.00 0.00 H new ATOM 0 HG SER A 41 0.701 -12.269 11.301 1.00 0.00 H new ATOM 552 N GLY A 42 -1.798 -9.447 13.332 1.00 0.00 N ATOM 553 CA GLY A 42 -1.435 -8.577 14.435 1.00 0.00 C ATOM 554 C GLY A 42 -0.002 -8.091 14.343 1.00 0.00 C ATOM 555 O GLY A 42 0.572 -7.638 15.333 1.00 0.00 O ATOM 0 H GLY A 42 -1.902 -8.977 12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.106 -7.718 14.452 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.575 -9.110 15.375 1.00 0.00 H new ATOM 559 N ARG A 43 0.578 -8.185 13.150 1.00 0.00 N ATOM 560 CA ARG A 43 1.953 -7.754 12.933 1.00 0.00 C ATOM 561 C ARG A 43 2.008 -6.578 11.963 1.00 0.00 C ATOM 562 O ARG A 43 1.527 -6.668 10.834 1.00 0.00 O ATOM 563 CB ARG A 43 2.794 -8.913 12.394 1.00 0.00 C ATOM 564 CG ARG A 43 4.286 -8.622 12.367 1.00 0.00 C ATOM 565 CD ARG A 43 5.098 -9.892 12.169 1.00 0.00 C ATOM 566 NE ARG A 43 5.207 -10.258 10.759 1.00 0.00 N ATOM 567 CZ ARG A 43 5.997 -11.227 10.310 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.743 -11.924 11.156 1.00 0.00 N ATOM 569 NH2 ARG A 43 6.041 -11.501 9.013 1.00 0.00 N ATOM 0 H ARG A 43 0.116 -8.556 12.320 1.00 0.00 H new ATOM 0 HA ARG A 43 2.361 -7.432 13.891 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.616 -9.796 13.007 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.461 -9.154 11.384 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.506 -7.919 11.563 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.581 -8.142 13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.096 -9.753 12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.633 -10.709 12.721 1.00 0.00 H new ATOM 0 HE ARG A 43 4.646 -9.741 10.082 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.711 -11.717 12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.349 -12.668 10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.468 -10.967 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.648 -12.245 8.669 1.00 0.00 H new ATOM 583 N VAL A 44 2.596 -5.474 12.413 1.00 0.00 N ATOM 584 CA VAL A 44 2.714 -4.279 11.585 1.00 0.00 C ATOM 585 C VAL A 44 4.168 -3.835 11.465 1.00 0.00 C ATOM 586 O VAL A 44 4.899 -3.791 12.455 1.00 0.00 O ATOM 587 CB VAL A 44 1.879 -3.117 12.154 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.214 -2.886 13.620 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.105 -1.851 11.342 1.00 0.00 C ATOM 0 H VAL A 44 2.998 -5.382 13.346 1.00 0.00 H new ATOM 0 HA VAL A 44 2.334 -4.540 10.597 1.00 0.00 H new ATOM 0 HB VAL A 44 0.824 -3.383 12.084 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.614 -2.061 14.005 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.996 -3.789 14.190 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.272 -2.642 13.717 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.507 -1.040 11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.160 -1.579 11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.810 -2.025 10.307 1.00 0.00 H new ATOM 599 N THR A 45 4.582 -3.506 10.245 1.00 0.00 N ATOM 600 CA THR A 45 5.948 -3.065 9.995 1.00 0.00 C ATOM 601 C THR A 45 5.973 -1.669 9.385 1.00 0.00 C ATOM 602 O THR A 45 4.928 -1.046 9.196 1.00 0.00 O ATOM 603 CB THR A 45 6.688 -4.036 9.056 1.00 0.00 C ATOM 604 OG1 THR A 45 5.856 -4.368 7.939 1.00 0.00 O ATOM 605 CG2 THR A 45 7.085 -5.306 9.794 1.00 0.00 C ATOM 0 H THR A 45 3.990 -3.537 9.415 1.00 0.00 H new ATOM 0 HA THR A 45 6.455 -3.046 10.960 1.00 0.00 H new ATOM 0 HB THR A 45 7.593 -3.543 8.700 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.335 -4.984 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.606 -5.976 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.742 -5.053 10.626 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.191 -5.800 10.175 1.00 0.00 H new ATOM 613 N GLU A 46 7.171 -1.183 9.077 1.00 0.00 N ATOM 614 CA GLU A 46 7.330 0.142 8.488 1.00 0.00 C ATOM 615 C GLU A 46 7.540 0.044 6.979 1.00 0.00 C ATOM 616 O GLU A 46 8.293 -0.804 6.500 1.00 0.00 O ATOM 617 CB GLU A 46 8.509 0.873 9.132 1.00 0.00 C ATOM 618 CG GLU A 46 8.836 2.201 8.471 1.00 0.00 C ATOM 619 CD GLU A 46 9.601 3.137 9.388 1.00 0.00 C ATOM 620 OE1 GLU A 46 9.012 3.599 10.387 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.787 3.406 9.106 1.00 0.00 O ATOM 0 H GLU A 46 8.046 -1.686 9.225 1.00 0.00 H new ATOM 0 HA GLU A 46 6.417 0.707 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.287 1.046 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.389 0.231 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.424 2.020 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.911 2.683 8.156 1.00 0.00 H new ATOM 628 N ALA A 47 6.869 0.918 6.237 1.00 0.00 N ATOM 629 CA ALA A 47 6.983 0.932 4.784 1.00 0.00 C ATOM 630 C ALA A 47 7.922 2.040 4.317 1.00 0.00 C ATOM 631 O ALA A 47 8.226 2.965 5.069 1.00 0.00 O ATOM 632 CB ALA A 47 5.611 1.099 4.148 1.00 0.00 C ATOM 0 H ALA A 47 6.241 1.626 6.618 1.00 0.00 H new ATOM 0 HA ALA A 47 7.404 -0.023 4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.712 1.108 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.968 0.271 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.169 2.039 4.479 1.00 0.00 H new ATOM 638 N GLU A 48 8.378 1.938 3.073 1.00 0.00 N ATOM 639 CA GLU A 48 9.284 2.931 2.508 1.00 0.00 C ATOM 640 C GLU A 48 8.559 3.816 1.497 1.00 0.00 C ATOM 641 O GLU A 48 7.849 3.322 0.621 1.00 0.00 O ATOM 642 CB GLU A 48 10.476 2.245 1.838 1.00 0.00 C ATOM 643 CG GLU A 48 11.310 3.177 0.976 1.00 0.00 C ATOM 644 CD GLU A 48 12.298 2.433 0.099 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.737 1.334 0.499 1.00 0.00 O ATOM 646 OE2 GLU A 48 12.631 2.949 -0.989 1.00 0.00 O ATOM 0 H GLU A 48 8.135 1.178 2.437 1.00 0.00 H new ATOM 0 HA GLU A 48 9.646 3.559 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.113 1.809 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.112 1.423 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.649 3.773 0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.851 3.872 1.618 1.00 0.00 H new ATOM 653 N ILE A 49 8.744 5.125 1.627 1.00 0.00 N ATOM 654 CA ILE A 49 8.109 6.079 0.726 1.00 0.00 C ATOM 655 C ILE A 49 9.094 6.584 -0.323 1.00 0.00 C ATOM 656 O ILE A 49 9.770 7.593 -0.122 1.00 0.00 O ATOM 657 CB ILE A 49 7.534 7.283 1.495 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.437 6.824 2.458 1.00 0.00 C ATOM 659 CG2 ILE A 49 6.992 8.322 0.524 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.046 7.875 3.473 1.00 0.00 C ATOM 0 H ILE A 49 9.328 5.549 2.347 1.00 0.00 H new ATOM 0 HA ILE A 49 7.294 5.551 0.231 1.00 0.00 H new ATOM 0 HB ILE A 49 8.335 7.740 2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.556 6.540 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.776 5.931 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.589 9.167 1.083 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.796 8.667 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.202 7.877 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.264 7.481 4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.916 8.142 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.676 8.760 2.956 1.00 0.00 H new ATOM 672 N VAL A 50 9.169 5.875 -1.446 1.00 0.00 N ATOM 673 CA VAL A 50 10.069 6.253 -2.529 1.00 0.00 C ATOM 674 C VAL A 50 9.644 7.573 -3.162 1.00 0.00 C ATOM 675 O VAL A 50 8.492 7.758 -3.555 1.00 0.00 O ATOM 676 CB VAL A 50 10.121 5.166 -3.619 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.088 5.564 -4.724 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.511 3.825 -3.016 1.00 0.00 C ATOM 0 H VAL A 50 8.618 5.037 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 50 11.061 6.367 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 50 9.128 5.067 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.112 4.784 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.760 6.501 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.086 5.693 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.543 3.069 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.493 3.907 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.777 3.537 -2.264 1.00 0.00 H new ATOM 688 N PRO A 51 10.595 8.513 -3.265 1.00 0.00 N ATOM 689 CA PRO A 51 10.343 9.833 -3.851 1.00 0.00 C ATOM 690 C PRO A 51 10.111 9.764 -5.356 1.00 0.00 C ATOM 691 O PRO A 51 11.060 9.753 -6.140 1.00 0.00 O ATOM 692 CB PRO A 51 11.626 10.609 -3.542 1.00 0.00 C ATOM 693 CG PRO A 51 12.677 9.562 -3.402 1.00 0.00 C ATOM 694 CD PRO A 51 11.989 8.360 -2.817 1.00 0.00 C ATOM 0 HA PRO A 51 9.442 10.294 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.868 11.309 -4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.525 11.193 -2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.123 9.325 -4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.484 9.904 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.428 7.430 -3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.062 8.345 -1.730 1.00 0.00 H new ATOM 702 N MET A 52 8.844 9.718 -5.754 1.00 0.00 N ATOM 703 CA MET A 52 8.489 9.652 -7.167 1.00 0.00 C ATOM 704 C MET A 52 8.700 11.002 -7.844 1.00 0.00 C ATOM 705 O MET A 52 8.489 11.143 -9.048 1.00 0.00 O ATOM 706 CB MET A 52 7.033 9.209 -7.328 1.00 0.00 C ATOM 707 CG MET A 52 6.811 7.734 -7.039 1.00 0.00 C ATOM 708 SD MET A 52 7.721 6.660 -8.166 1.00 0.00 S ATOM 709 CE MET A 52 6.376 5.924 -9.092 1.00 0.00 C ATOM 0 H MET A 52 8.046 9.725 -5.118 1.00 0.00 H new ATOM 0 HA MET A 52 9.139 8.920 -7.646 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.406 9.800 -6.660 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.707 9.425 -8.345 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.114 7.519 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.747 7.510 -7.110 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.779 5.233 -9.832 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.718 5.384 -8.411 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.811 6.707 -9.597 1.00 0.00 H new ATOM 719 N GLY A 53 9.118 11.993 -7.062 1.00 0.00 N ATOM 720 CA GLY A 53 9.350 13.319 -7.605 1.00 0.00 C ATOM 721 C GLY A 53 9.335 14.394 -6.536 1.00 0.00 C ATOM 722 O GLY A 53 10.258 14.486 -5.725 1.00 0.00 O ATOM 0 H GLY A 53 9.300 11.901 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.311 13.335 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.587 13.542 -8.351 1.00 0.00 H new ATOM 726 N LYS A 54 8.287 15.210 -6.533 1.00 0.00 N ATOM 727 CA LYS A 54 8.155 16.284 -5.557 1.00 0.00 C ATOM 728 C LYS A 54 7.006 16.006 -4.593 1.00 0.00 C ATOM 729 O LYS A 54 7.227 15.711 -3.419 1.00 0.00 O ATOM 730 CB LYS A 54 7.927 17.621 -6.266 1.00 0.00 C ATOM 731 CG LYS A 54 9.209 18.289 -6.731 1.00 0.00 C ATOM 732 CD LYS A 54 9.778 19.209 -5.663 1.00 0.00 C ATOM 733 CE LYS A 54 10.711 18.461 -4.723 1.00 0.00 C ATOM 734 NZ LYS A 54 9.982 17.889 -3.557 1.00 0.00 N ATOM 0 H LYS A 54 7.515 15.148 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 54 9.081 16.336 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.278 17.460 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.400 18.295 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.945 17.527 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.014 18.860 -7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.318 20.029 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.963 19.653 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.210 17.660 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.489 19.138 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.272 18.384 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.958 18.005 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.207 16.877 -3.469 1.00 0.00 H new ATOM 748 N ASN A 55 5.780 16.101 -5.097 1.00 0.00 N ATOM 749 CA ASN A 55 4.597 15.858 -4.281 1.00 0.00 C ATOM 750 C ASN A 55 4.019 14.473 -4.558 1.00 0.00 C ATOM 751 O ASN A 55 2.805 14.277 -4.522 1.00 0.00 O ATOM 752 CB ASN A 55 3.537 16.928 -4.550 1.00 0.00 C ATOM 753 CG ASN A 55 3.090 16.947 -5.999 1.00 0.00 C ATOM 754 OD1 ASN A 55 3.880 17.231 -6.900 1.00 0.00 O ATOM 755 ND2 ASN A 55 1.818 16.644 -6.230 1.00 0.00 N ATOM 0 H ASN A 55 5.580 16.345 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 55 4.894 15.905 -3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.674 16.750 -3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.936 17.906 -4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.460 16.640 -7.185 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.199 16.415 -5.452 1.00 0.00 H new ATOM 762 N SER A 56 4.899 13.515 -4.834 1.00 0.00 N ATOM 763 CA SER A 56 4.477 12.149 -5.120 1.00 0.00 C ATOM 764 C SER A 56 5.120 11.167 -4.146 1.00 0.00 C ATOM 765 O SER A 56 6.340 11.147 -3.981 1.00 0.00 O ATOM 766 CB SER A 56 4.841 11.771 -6.557 1.00 0.00 C ATOM 767 OG SER A 56 4.261 12.674 -7.484 1.00 0.00 O ATOM 0 H SER A 56 5.908 13.660 -4.865 1.00 0.00 H new ATOM 0 HA SER A 56 3.395 12.097 -5.001 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.925 11.772 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.498 10.758 -6.768 1.00 0.00 H new ATOM 0 HG SER A 56 4.510 12.412 -8.395 1.00 0.00 H new ATOM 773 N HIS A 57 4.289 10.352 -3.503 1.00 0.00 N ATOM 774 CA HIS A 57 4.775 9.365 -2.545 1.00 0.00 C ATOM 775 C HIS A 57 4.361 7.956 -2.958 1.00 0.00 C ATOM 776 O HIS A 57 3.178 7.683 -3.168 1.00 0.00 O ATOM 777 CB HIS A 57 4.243 9.676 -1.146 1.00 0.00 C ATOM 778 CG HIS A 57 4.121 11.142 -0.864 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.070 11.856 -0.163 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.153 12.030 -1.194 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.691 13.118 -0.073 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.531 13.250 -0.691 1.00 0.00 N ATOM 0 H HIS A 57 3.277 10.356 -3.628 1.00 0.00 H new ATOM 0 HA HIS A 57 5.864 9.415 -2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.266 9.209 -1.026 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.905 9.226 -0.406 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.251 11.818 -1.750 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.237 13.908 0.422 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.002 14.118 -0.780 1.00 0.00 H new ATOM 791 N CYS A 58 5.340 7.067 -3.074 1.00 0.00 N ATOM 792 CA CYS A 58 5.077 5.686 -3.464 1.00 0.00 C ATOM 793 C CYS A 58 5.471 4.722 -2.349 1.00 0.00 C ATOM 794 O CYS A 58 6.618 4.707 -1.903 1.00 0.00 O ATOM 795 CB CYS A 58 5.839 5.342 -4.745 1.00 0.00 C ATOM 796 SG CYS A 58 5.304 3.805 -5.531 1.00 0.00 S ATOM 0 H CYS A 58 6.323 7.277 -2.904 1.00 0.00 H new ATOM 0 HA CYS A 58 4.007 5.583 -3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.723 6.161 -5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.902 5.269 -4.514 1.00 0.00 H new ATOM 0 HG CYS A 58 6.005 3.601 -6.607 1.00 0.00 H new ATOM 802 N VAL A 59 4.510 3.919 -1.903 1.00 0.00 N ATOM 803 CA VAL A 59 4.756 2.951 -0.840 1.00 0.00 C ATOM 804 C VAL A 59 4.950 1.549 -1.406 1.00 0.00 C ATOM 805 O VAL A 59 3.996 0.910 -1.850 1.00 0.00 O ATOM 806 CB VAL A 59 3.598 2.927 0.176 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.866 1.903 1.267 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.383 4.310 0.772 1.00 0.00 C ATOM 0 H VAL A 59 3.555 3.919 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 59 5.669 3.264 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 59 2.686 2.636 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.037 1.901 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.965 0.913 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.788 2.160 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.561 4.274 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.292 4.633 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.141 5.015 -0.023 1.00 0.00 H new ATOM 818 N ARG A 60 6.192 1.076 -1.388 1.00 0.00 N ATOM 819 CA ARG A 60 6.512 -0.250 -1.901 1.00 0.00 C ATOM 820 C ARG A 60 6.751 -1.232 -0.757 1.00 0.00 C ATOM 821 O ARG A 60 7.559 -0.977 0.136 1.00 0.00 O ATOM 822 CB ARG A 60 7.747 -0.188 -2.801 1.00 0.00 C ATOM 823 CG ARG A 60 7.428 0.126 -4.253 1.00 0.00 C ATOM 824 CD ARG A 60 8.660 -0.004 -5.135 1.00 0.00 C ATOM 825 NE ARG A 60 8.333 0.117 -6.553 1.00 0.00 N ATOM 826 CZ ARG A 60 9.122 -0.318 -7.529 1.00 0.00 C ATOM 827 NH1 ARG A 60 10.278 -0.900 -7.242 1.00 0.00 N ATOM 828 NH2 ARG A 60 8.755 -0.172 -8.796 1.00 0.00 N ATOM 0 H ARG A 60 6.993 1.592 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 60 5.662 -0.601 -2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.429 0.570 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.271 -1.143 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.651 -0.550 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.030 1.138 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.383 0.765 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.136 -0.968 -4.954 1.00 0.00 H new ATOM 0 HE ARG A 60 7.450 0.560 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.564 -1.015 -6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.882 -1.233 -7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.866 0.275 -9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.362 -0.506 -9.545 1.00 0.00 H new ATOM 842 N PHE A 61 6.042 -2.356 -0.791 1.00 0.00 N ATOM 843 CA PHE A 61 6.175 -3.375 0.243 1.00 0.00 C ATOM 844 C PHE A 61 5.764 -4.745 -0.288 1.00 0.00 C ATOM 845 O PHE A 61 5.069 -4.849 -1.299 1.00 0.00 O ATOM 846 CB PHE A 61 5.324 -3.011 1.461 1.00 0.00 C ATOM 847 CG PHE A 61 3.885 -2.741 1.127 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.073 -3.749 0.632 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.343 -1.479 1.308 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.748 -3.504 0.324 1.00 0.00 C ATOM 851 CE2 PHE A 61 2.019 -1.227 1.002 1.00 0.00 C ATOM 852 CZ PHE A 61 1.221 -2.241 0.508 1.00 0.00 C ATOM 0 H PHE A 61 5.370 -2.584 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 61 7.222 -3.420 0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.374 -3.824 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.749 -2.129 1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.481 -4.738 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.963 -0.682 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.126 -4.299 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.609 -0.239 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.187 -2.046 0.266 1.00 0.00 H new ATOM 862 N VAL A 62 6.199 -5.796 0.401 1.00 0.00 N ATOM 863 CA VAL A 62 5.877 -7.160 0.000 1.00 0.00 C ATOM 864 C VAL A 62 4.762 -7.738 0.865 1.00 0.00 C ATOM 865 O VAL A 62 4.977 -8.143 2.008 1.00 0.00 O ATOM 866 CB VAL A 62 7.110 -8.078 0.091 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.757 -9.492 -0.344 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.250 -7.522 -0.750 1.00 0.00 C ATOM 0 H VAL A 62 6.775 -5.728 1.240 1.00 0.00 H new ATOM 0 HA VAL A 62 5.543 -7.115 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 62 7.438 -8.115 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.641 -10.126 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.974 -9.887 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.403 -9.478 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.114 -8.183 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.935 -7.454 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.519 -6.530 -0.387 1.00 0.00 H new ATOM 878 N PRO A 63 3.542 -7.778 0.309 1.00 0.00 N ATOM 879 CA PRO A 63 2.369 -8.306 1.012 1.00 0.00 C ATOM 880 C PRO A 63 2.439 -9.817 1.203 1.00 0.00 C ATOM 881 O PRO A 63 3.336 -10.477 0.678 1.00 0.00 O ATOM 882 CB PRO A 63 1.206 -7.937 0.088 1.00 0.00 C ATOM 883 CG PRO A 63 1.819 -7.827 -1.266 1.00 0.00 C ATOM 884 CD PRO A 63 3.214 -7.312 -1.048 1.00 0.00 C ATOM 0 HA PRO A 63 2.278 -7.897 2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.426 -8.699 0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.743 -6.998 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.834 -8.795 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.247 -7.149 -1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.909 -7.709 -1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.257 -6.225 -1.121 1.00 0.00 H new ATOM 892 N GLN A 64 1.488 -10.358 1.957 1.00 0.00 N ATOM 893 CA GLN A 64 1.443 -11.792 2.217 1.00 0.00 C ATOM 894 C GLN A 64 0.379 -12.468 1.359 1.00 0.00 C ATOM 895 O GLN A 64 -0.411 -11.799 0.693 1.00 0.00 O ATOM 896 CB GLN A 64 1.163 -12.055 3.698 1.00 0.00 C ATOM 897 CG GLN A 64 2.352 -11.770 4.602 1.00 0.00 C ATOM 898 CD GLN A 64 3.593 -12.539 4.194 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.872 -13.616 4.723 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.347 -11.990 3.249 1.00 0.00 N ATOM 0 H GLN A 64 0.738 -9.825 2.398 1.00 0.00 H new ATOM 0 HA GLN A 64 2.414 -12.213 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.321 -11.440 4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.863 -13.095 3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.569 -10.702 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.092 -12.026 5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.079 -11.096 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.195 -12.462 2.934 1.00 0.00 H new ATOM 909 N GLU A 65 0.365 -13.797 1.379 1.00 0.00 N ATOM 910 CA GLU A 65 -0.602 -14.562 0.601 1.00 0.00 C ATOM 911 C GLU A 65 -1.931 -14.676 1.344 1.00 0.00 C ATOM 912 O GLU A 65 -1.961 -14.775 2.570 1.00 0.00 O ATOM 913 CB GLU A 65 -0.055 -15.958 0.297 1.00 0.00 C ATOM 914 CG GLU A 65 -0.342 -16.976 1.388 1.00 0.00 C ATOM 915 CD GLU A 65 0.270 -16.591 2.720 1.00 0.00 C ATOM 916 OE1 GLU A 65 1.487 -16.312 2.757 1.00 0.00 O ATOM 917 OE2 GLU A 65 -0.468 -16.569 3.727 1.00 0.00 O ATOM 0 H GLU A 65 1.012 -14.366 1.925 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.774 -14.034 -0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.485 -16.311 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.023 -15.892 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.420 -17.083 1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.044 -17.949 1.083 1.00 0.00 H new ATOM 924 N MET A 66 -3.026 -14.659 0.592 1.00 0.00 N ATOM 925 CA MET A 66 -4.357 -14.761 1.178 1.00 0.00 C ATOM 926 C MET A 66 -4.425 -14.013 2.506 1.00 0.00 C ATOM 927 O MET A 66 -4.889 -14.551 3.510 1.00 0.00 O ATOM 928 CB MET A 66 -4.735 -16.229 1.387 1.00 0.00 C ATOM 929 CG MET A 66 -4.847 -17.017 0.092 1.00 0.00 C ATOM 930 SD MET A 66 -3.244 -17.551 -0.537 1.00 0.00 S ATOM 931 CE MET A 66 -3.038 -16.439 -1.926 1.00 0.00 C ATOM 0 H MET A 66 -3.018 -14.576 -0.425 1.00 0.00 H new ATOM 0 HA MET A 66 -5.066 -14.305 0.487 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.989 -16.701 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.686 -16.279 1.917 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.478 -17.891 0.256 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.342 -16.403 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.805 -17.015 -2.822 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.960 -15.879 -2.084 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.223 -15.745 -1.719 1.00 0.00 H new ATOM 941 N GLY A 67 -3.958 -12.768 2.503 1.00 0.00 N ATOM 942 CA GLY A 67 -3.975 -11.967 3.713 1.00 0.00 C ATOM 943 C GLY A 67 -4.380 -10.530 3.452 1.00 0.00 C ATOM 944 O GLY A 67 -4.002 -9.945 2.436 1.00 0.00 O ATOM 0 H GLY A 67 -3.568 -12.300 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.666 -12.411 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.986 -11.985 4.171 1.00 0.00 H new ATOM 948 N VAL A 68 -5.154 -9.958 4.369 1.00 0.00 N ATOM 949 CA VAL A 68 -5.612 -8.581 4.233 1.00 0.00 C ATOM 950 C VAL A 68 -4.824 -7.647 5.145 1.00 0.00 C ATOM 951 O VAL A 68 -4.904 -7.746 6.370 1.00 0.00 O ATOM 952 CB VAL A 68 -7.112 -8.453 4.557 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.576 -7.015 4.381 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.927 -9.396 3.685 1.00 0.00 C ATOM 0 H VAL A 68 -5.477 -10.428 5.215 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.447 -8.294 3.194 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.266 -8.734 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.638 -6.944 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.013 -6.366 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.409 -6.703 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.985 -9.293 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.769 -9.149 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.612 -10.423 3.867 1.00 0.00 H new ATOM 964 N HIS A 69 -4.065 -6.739 4.541 1.00 0.00 N ATOM 965 CA HIS A 69 -3.263 -5.786 5.299 1.00 0.00 C ATOM 966 C HIS A 69 -3.897 -4.398 5.270 1.00 0.00 C ATOM 967 O HIS A 69 -4.814 -4.139 4.489 1.00 0.00 O ATOM 968 CB HIS A 69 -1.842 -5.722 4.738 1.00 0.00 C ATOM 969 CG HIS A 69 -1.231 -7.069 4.500 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.828 -8.039 3.724 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.068 -7.604 4.940 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.060 -9.114 3.698 1.00 0.00 C ATOM 973 NE2 HIS A 69 0.015 -8.875 4.428 1.00 0.00 N ATOM 0 H HIS A 69 -3.988 -6.643 3.528 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.222 -6.126 6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.855 -5.167 3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.212 -5.163 5.430 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.659 -7.121 5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.274 -10.031 3.170 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.782 -9.529 4.586 1.00 0.00 H new ATOM 982 N THR A 70 -3.403 -3.509 6.125 1.00 0.00 N ATOM 983 CA THR A 70 -3.922 -2.149 6.199 1.00 0.00 C ATOM 984 C THR A 70 -2.789 -1.128 6.212 1.00 0.00 C ATOM 985 O THR A 70 -1.890 -1.195 7.051 1.00 0.00 O ATOM 986 CB THR A 70 -4.794 -1.947 7.452 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.659 -3.074 7.633 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.625 -0.678 7.335 1.00 0.00 C ATOM 0 H THR A 70 -2.643 -3.706 6.777 1.00 0.00 H new ATOM 0 HA THR A 70 -4.535 -1.996 5.311 1.00 0.00 H new ATOM 0 HB THR A 70 -4.135 -1.852 8.315 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.209 -2.939 8.433 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.233 -0.557 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.963 0.181 7.226 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.275 -0.748 6.463 1.00 0.00 H new ATOM 996 N VAL A 71 -2.839 -0.183 5.279 1.00 0.00 N ATOM 997 CA VAL A 71 -1.818 0.853 5.185 1.00 0.00 C ATOM 998 C VAL A 71 -2.172 2.054 6.054 1.00 0.00 C ATOM 999 O VAL A 71 -3.040 2.853 5.702 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.627 1.324 3.731 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.489 2.328 3.639 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.377 0.135 2.815 1.00 0.00 C ATOM 0 H VAL A 71 -3.576 -0.114 4.577 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.887 0.412 5.541 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.542 1.819 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.370 2.649 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.715 3.193 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.435 1.863 3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.244 0.486 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.478 -0.390 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.229 -0.543 2.858 1.00 0.00 H new ATOM 1012 N SER A 72 -1.495 2.176 7.191 1.00 0.00 N ATOM 1013 CA SER A 72 -1.740 3.279 8.113 1.00 0.00 C ATOM 1014 C SER A 72 -0.886 4.490 7.751 1.00 0.00 C ATOM 1015 O SER A 72 0.328 4.491 7.952 1.00 0.00 O ATOM 1016 CB SER A 72 -1.446 2.845 9.550 1.00 0.00 C ATOM 1017 OG SER A 72 -0.431 1.857 9.587 1.00 0.00 O ATOM 0 H SER A 72 -0.772 1.524 7.496 1.00 0.00 H new ATOM 0 HA SER A 72 -2.790 3.560 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.138 3.709 10.138 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.355 2.455 10.008 1.00 0.00 H new ATOM 0 HG SER A 72 -0.338 1.517 10.502 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.531 5.522 7.215 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.833 6.741 6.825 1.00 0.00 C ATOM 1025 C VAL A 73 -1.326 7.938 7.630 1.00 0.00 C ATOM 1026 O VAL A 73 -2.359 8.529 7.314 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.013 7.035 5.324 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.076 8.150 4.882 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.781 5.776 4.503 1.00 0.00 C ATOM 0 H VAL A 73 -2.536 5.538 7.041 1.00 0.00 H new ATOM 0 HA VAL A 73 0.225 6.580 7.031 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.038 7.366 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.217 8.344 3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.295 9.055 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.956 7.850 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.912 6.002 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.232 5.412 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.496 5.010 4.802 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.581 8.292 8.671 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.940 9.421 9.521 1.00 0.00 C ATOM 1041 C LYS A 74 0.031 10.580 9.326 1.00 0.00 C ATOM 1042 O LYS A 74 1.214 10.373 9.055 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.952 8.995 10.991 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.300 8.478 11.463 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.481 8.677 12.959 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.940 8.538 13.367 1.00 0.00 C ATOM 1047 NZ LYS A 74 -4.137 8.803 14.819 1.00 0.00 N ATOM 0 H LYS A 74 0.276 7.813 8.947 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.938 9.754 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.201 8.219 11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.661 9.844 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.097 8.994 10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.389 7.419 11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.880 7.946 13.500 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.115 9.664 13.243 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.547 9.232 12.785 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.289 7.533 13.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.144 8.698 15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.577 8.125 15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.828 9.771 15.040 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.475 11.800 9.465 1.00 0.00 N ATOM 1062 CA TYR A 75 0.347 12.993 9.303 1.00 0.00 C ATOM 1063 C TYR A 75 0.113 13.976 10.445 1.00 0.00 C ATOM 1064 O TYR A 75 -1.003 14.454 10.649 1.00 0.00 O ATOM 1065 CB TYR A 75 0.045 13.668 7.964 1.00 0.00 C ATOM 1066 CG TYR A 75 0.544 15.093 7.878 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.894 15.367 7.700 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.335 16.165 7.976 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.355 16.667 7.621 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.117 17.468 7.897 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.462 17.714 7.720 1.00 0.00 C ATOM 1072 OH TYR A 75 1.916 19.011 7.642 1.00 0.00 O ATOM 0 H TYR A 75 -1.452 11.989 9.690 1.00 0.00 H new ATOM 0 HA TYR A 75 1.393 12.687 9.321 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.498 13.084 7.162 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.032 13.658 7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.596 14.550 7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.389 15.976 8.116 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.408 16.862 7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.580 18.290 7.973 1.00 0.00 H new ATOM 0 HH TYR A 75 1.159 19.614 7.488 1.00 0.00 H new ATOM 1082 N ARG A 76 1.174 14.275 11.188 1.00 0.00 N ATOM 1083 CA ARG A 76 1.085 15.201 12.310 1.00 0.00 C ATOM 1084 C ARG A 76 0.077 14.707 13.344 1.00 0.00 C ATOM 1085 O ARG A 76 -0.557 15.502 14.036 1.00 0.00 O ATOM 1086 CB ARG A 76 0.688 16.594 11.819 1.00 0.00 C ATOM 1087 CG ARG A 76 1.872 17.467 11.439 1.00 0.00 C ATOM 1088 CD ARG A 76 1.535 18.945 11.555 1.00 0.00 C ATOM 1089 NE ARG A 76 0.703 19.406 10.446 1.00 0.00 N ATOM 1090 CZ ARG A 76 0.558 20.685 10.118 1.00 0.00 C ATOM 1091 NH1 ARG A 76 1.186 21.625 10.810 1.00 0.00 N ATOM 1092 NH2 ARG A 76 -0.216 21.025 9.095 1.00 0.00 N ATOM 0 H ARG A 76 2.105 13.889 11.033 1.00 0.00 H new ATOM 0 HA ARG A 76 2.066 15.256 12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.031 16.492 10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.114 17.095 12.599 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.719 17.234 12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.178 17.242 10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.016 19.126 12.497 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.457 19.526 11.582 1.00 0.00 H new ATOM 0 HE ARG A 76 0.206 18.707 9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.782 21.367 11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.073 22.606 10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.700 20.304 8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.327 22.007 8.844 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.064 13.389 13.442 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.997 12.811 14.393 1.00 0.00 C ATOM 1108 C GLY A 77 -2.437 12.922 13.932 1.00 0.00 C ATOM 1109 O GLY A 77 -3.339 13.128 14.742 1.00 0.00 O ATOM 0 H GLY A 77 0.451 12.711 12.880 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.748 11.761 14.549 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.887 13.311 15.355 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.651 12.785 12.627 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.992 12.873 12.061 1.00 0.00 C ATOM 1115 C GLN A 78 -4.071 12.131 10.731 1.00 0.00 C ATOM 1116 O GLN A 78 -3.366 12.466 9.778 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.391 14.336 11.867 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.563 15.099 13.170 1.00 0.00 C ATOM 1119 CD GLN A 78 -5.125 16.491 12.963 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.871 17.130 11.941 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -5.894 16.970 13.934 1.00 0.00 N ATOM 0 H GLN A 78 -1.914 12.613 11.943 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.686 12.404 12.759 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.633 14.833 11.262 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.324 14.378 11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.225 14.539 13.830 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.599 15.172 13.673 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.078 16.406 14.764 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.300 17.902 13.850 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.932 11.120 10.672 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.103 10.330 9.458 1.00 0.00 C ATOM 1132 C HIS A 79 -5.536 11.214 8.292 1.00 0.00 C ATOM 1133 O HIS A 79 -6.341 12.130 8.459 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.134 9.224 9.685 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.547 7.963 10.241 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.515 7.281 9.632 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.851 7.263 11.359 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.212 6.214 10.350 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.008 6.180 11.403 1.00 0.00 N ATOM 0 H HIS A 79 -5.522 10.829 11.451 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.143 9.876 9.211 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.902 9.589 10.367 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.628 8.999 8.740 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.614 7.510 12.082 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.444 5.492 10.115 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.998 5.465 12.131 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.996 10.932 7.110 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.326 11.701 5.916 1.00 0.00 C ATOM 1150 C VAL A 80 -6.601 11.180 5.262 1.00 0.00 C ATOM 1151 O VAL A 80 -7.241 10.258 5.770 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.180 11.660 4.887 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.912 12.257 5.477 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.939 10.234 4.416 1.00 0.00 C ATOM 0 H VAL A 80 -4.328 10.177 6.954 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.480 12.732 6.236 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.468 12.260 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.113 12.220 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.096 13.293 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.617 11.687 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.126 10.223 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.672 9.609 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.846 9.846 3.952 1.00 0.00 H new ATOM 1164 N THR A 81 -6.965 11.774 4.130 1.00 0.00 N ATOM 1165 CA THR A 81 -8.164 11.371 3.406 1.00 0.00 C ATOM 1166 C THR A 81 -8.007 9.972 2.820 1.00 0.00 C ATOM 1167 O THR A 81 -7.051 9.695 2.098 1.00 0.00 O ATOM 1168 CB THR A 81 -8.492 12.358 2.270 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.519 13.697 2.777 1.00 0.00 O ATOM 1170 CG2 THR A 81 -9.833 12.024 1.635 1.00 0.00 C ATOM 0 H THR A 81 -6.446 12.537 3.695 1.00 0.00 H new ATOM 0 HA THR A 81 -8.983 11.371 4.125 1.00 0.00 H new ATOM 0 HB THR A 81 -7.716 12.274 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.726 14.319 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.044 12.734 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.800 11.015 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.618 12.083 2.389 1.00 0.00 H new ATOM 1178 N GLY A 82 -8.954 9.094 3.136 1.00 0.00 N ATOM 1179 CA GLY A 82 -8.903 7.734 2.631 1.00 0.00 C ATOM 1180 C GLY A 82 -8.226 6.782 3.597 1.00 0.00 C ATOM 1181 O GLY A 82 -8.703 5.669 3.819 1.00 0.00 O ATOM 0 H GLY A 82 -9.755 9.300 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.916 7.385 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.370 7.722 1.680 1.00 0.00 H new ATOM 1185 N SER A 83 -7.110 7.220 4.173 1.00 0.00 N ATOM 1186 CA SER A 83 -6.364 6.396 5.116 1.00 0.00 C ATOM 1187 C SER A 83 -7.155 6.193 6.405 1.00 0.00 C ATOM 1188 O SER A 83 -7.917 7.057 6.838 1.00 0.00 O ATOM 1189 CB SER A 83 -5.012 7.041 5.430 1.00 0.00 C ATOM 1190 OG SER A 83 -4.459 6.511 6.622 1.00 0.00 O ATOM 0 H SER A 83 -6.704 8.140 4.003 1.00 0.00 H new ATOM 0 HA SER A 83 -6.197 5.422 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.325 6.874 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.135 8.119 5.530 1.00 0.00 H new ATOM 0 HG SER A 83 -4.736 7.061 7.384 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.971 5.022 7.032 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.068 3.985 6.525 1.00 0.00 C ATOM 1198 C PRO A 84 -6.592 3.332 5.250 1.00 0.00 C ATOM 1199 O PRO A 84 -7.801 3.265 5.028 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.019 2.967 7.667 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.304 3.156 8.398 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.632 4.619 8.285 1.00 0.00 C ATOM 0 HA PRO A 84 -5.093 4.390 6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.926 1.950 7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.163 3.144 8.318 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.094 2.544 7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.207 2.857 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.708 4.787 8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.254 5.183 9.138 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.676 2.851 4.417 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.046 2.203 3.164 1.00 0.00 C ATOM 1212 C PHE A 85 -5.970 0.685 3.294 1.00 0.00 C ATOM 1213 O PHE A 85 -4.885 0.117 3.422 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.133 2.676 2.031 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.271 4.139 1.721 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.280 4.591 0.885 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.394 5.063 2.266 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.409 5.937 0.597 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.518 6.410 1.983 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.528 6.848 1.148 1.00 0.00 C ATOM 0 H PHE A 85 -4.671 2.898 4.587 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.074 2.479 2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.097 2.465 2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.354 2.100 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.973 3.884 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.603 4.726 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.198 6.276 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.827 7.119 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.629 7.900 0.926 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.129 0.035 3.260 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.193 -1.417 3.375 1.00 0.00 C ATOM 1232 C GLN A 86 -7.225 -2.071 1.997 1.00 0.00 C ATOM 1233 O GLN A 86 -7.907 -1.597 1.089 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.427 -1.832 4.178 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.256 -3.147 4.921 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.579 -3.816 5.236 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.363 -4.122 4.336 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -9.836 -4.048 6.518 1.00 0.00 N ATOM 0 H GLN A 86 -8.035 0.491 3.154 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.298 -1.755 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.664 -1.047 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.279 -1.914 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.646 -3.822 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.714 -2.967 5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.158 -3.778 7.231 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.711 -4.496 6.790 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.481 -3.163 1.849 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.423 -3.882 0.582 1.00 0.00 C ATOM 1249 C PHE A 87 -6.240 -5.379 0.813 1.00 0.00 C ATOM 1250 O PHE A 87 -5.564 -5.796 1.754 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.279 -3.345 -0.281 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.917 -3.642 0.277 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.421 -4.936 0.278 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.131 -2.627 0.799 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.168 -5.212 0.792 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.877 -2.897 1.314 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.395 -4.191 1.309 1.00 0.00 C ATOM 0 H PHE A 87 -5.910 -3.569 2.591 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.368 -3.726 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.355 -3.775 -1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.391 -2.266 -0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.020 -5.738 -0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.503 -1.613 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.794 -6.225 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.275 -2.097 1.720 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.415 -4.404 1.709 1.00 0.00 H new ATOM 1267 N THR A 88 -6.850 -6.184 -0.051 1.00 0.00 N ATOM 1268 CA THR A 88 -6.758 -7.635 0.059 1.00 0.00 C ATOM 1269 C THR A 88 -5.791 -8.204 -0.973 1.00 0.00 C ATOM 1270 O THR A 88 -5.770 -7.769 -2.125 1.00 0.00 O ATOM 1271 CB THR A 88 -8.134 -8.301 -0.122 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.076 -7.737 0.799 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.041 -9.803 0.097 1.00 0.00 C ATOM 0 H THR A 88 -7.413 -5.856 -0.835 1.00 0.00 H new ATOM 0 HA THR A 88 -6.387 -7.853 1.060 1.00 0.00 H new ATOM 0 HB THR A 88 -8.470 -8.119 -1.143 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.949 -8.165 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.025 -10.252 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.346 -10.233 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.685 -10.002 1.108 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.991 -9.179 -0.553 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.023 -9.810 -1.443 1.00 0.00 C ATOM 1283 C VAL A 89 -4.549 -11.138 -1.974 1.00 0.00 C ATOM 1284 O VAL A 89 -5.269 -11.855 -1.281 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.680 -10.051 -0.729 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.608 -10.456 -1.730 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.257 -8.810 0.043 1.00 0.00 C ATOM 0 H VAL A 89 -4.994 -9.549 0.398 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.866 -9.126 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.808 -10.868 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.666 -10.622 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.910 -11.374 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.479 -9.663 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.306 -8.998 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.146 -7.973 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.015 -8.569 0.788 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.182 -11.461 -3.211 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.626 -12.704 -3.815 1.00 0.00 C ATOM 1299 C GLY A 90 -3.470 -13.603 -4.208 1.00 0.00 C ATOM 1300 O GLY A 90 -2.361 -13.488 -3.685 1.00 0.00 O ATOM 0 H GLY A 90 -3.586 -10.885 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.273 -13.234 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.226 -12.482 -4.698 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.725 -14.524 -5.149 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.709 -15.465 -5.631 1.00 0.00 C ATOM 1306 C PRO A 91 -1.628 -14.778 -6.457 1.00 0.00 C ATOM 1307 O PRO A 91 -1.890 -13.787 -7.141 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.510 -16.437 -6.501 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.699 -15.656 -6.945 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.023 -14.718 -5.815 1.00 0.00 C ATOM 0 HA PRO A 91 -2.177 -15.946 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.923 -16.783 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.805 -17.322 -5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.484 -15.105 -7.861 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.541 -16.314 -7.159 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.432 -13.776 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.762 -15.145 -5.138 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.412 -15.309 -6.391 1.00 0.00 N ATOM 1319 CA LEU A 92 0.710 -14.746 -7.134 1.00 0.00 C ATOM 1320 C LEU A 92 0.462 -14.824 -8.637 1.00 0.00 C ATOM 1321 O LEU A 92 0.837 -13.923 -9.385 1.00 0.00 O ATOM 1322 CB LEU A 92 2.003 -15.485 -6.780 1.00 0.00 C ATOM 1323 CG LEU A 92 1.928 -17.012 -6.793 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.273 -17.609 -7.179 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.480 -17.535 -5.436 1.00 0.00 C ATOM 0 H LEU A 92 -0.178 -16.129 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 92 0.809 -13.697 -6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.779 -15.173 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.321 -15.165 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 92 1.192 -17.315 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.201 -18.697 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.554 -17.260 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.029 -17.298 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.432 -18.624 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.192 -17.222 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.494 -17.134 -5.199 1.00 0.00 H new