USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 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 74 LYS NZ :NH3+ -107:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -1.39! K(o=-0.86!,f=-6.2) USER MOD Set 1.3: A 83 SER OG : rot -141:sc= -0.546 USER MOD Set 2.1: A 39 SER OG : rot 81:sc= 0.00129 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -5.01! C(o=-5!,f=-7.2!) USER MOD Set 3.1: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 58 CYS SG : rot 180:sc= -0.457 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -70:sc= -0.178 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.13) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0325 X(o=-0.032,f=-0.49) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 157:sc= -0.216 (180deg=-1.02) USER MOD Single : A 34 SER OG : rot 33:sc= 0.552 USER MOD Single : A 36 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.491 K(o=-0.49,f=-2.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -5.42! K(o=-5.4!,f=-6.3) USER MOD Single : A 64 GLN : amide:sc= -0.889 X(o=-0.89,f=-0.4) USER MOD Single : A 66 MET CE :methyl -124:sc= -2.59 (180deg=-5.29!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.87) 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) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.416 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.796 -6.367 -5.499 1.00 0.00 N ATOM 142 CA ALA A 13 -2.439 -6.645 -5.046 1.00 0.00 C ATOM 143 C ALA A 13 -2.128 -8.136 -5.129 1.00 0.00 C ATOM 144 O ALA A 13 -2.933 -8.973 -4.719 1.00 0.00 O ATOM 145 CB ALA A 13 -2.244 -6.142 -3.624 1.00 0.00 C ATOM 0 HA ALA A 13 -1.747 -6.119 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.226 -6.356 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.416 -5.066 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.950 -6.642 -2.961 1.00 0.00 H new ATOM 151 N THR A 14 -0.955 -8.462 -5.663 1.00 0.00 N ATOM 152 CA THR A 14 -0.538 -9.851 -5.802 1.00 0.00 C ATOM 153 C THR A 14 0.482 -10.228 -4.734 1.00 0.00 C ATOM 154 O THR A 14 1.342 -9.425 -4.371 1.00 0.00 O ATOM 155 CB THR A 14 0.068 -10.120 -7.192 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.773 -9.563 -8.209 1.00 0.00 O ATOM 157 CG2 THR A 14 0.238 -11.613 -7.429 1.00 0.00 C ATOM 0 H THR A 14 -0.277 -7.782 -6.006 1.00 0.00 H new ATOM 0 HA THR A 14 -1.432 -10.463 -5.679 1.00 0.00 H new ATOM 0 HB THR A 14 1.050 -9.648 -7.234 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.380 -9.737 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.668 -11.778 -8.417 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.902 -12.029 -6.671 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.733 -12.104 -7.369 1.00 0.00 H new ATOM 165 N VAL A 15 0.383 -11.456 -4.234 1.00 0.00 N ATOM 166 CA VAL A 15 1.299 -11.940 -3.208 1.00 0.00 C ATOM 167 C VAL A 15 2.736 -11.953 -3.717 1.00 0.00 C ATOM 168 O VAL A 15 2.993 -12.284 -4.873 1.00 0.00 O ATOM 169 CB VAL A 15 0.919 -13.358 -2.740 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.952 -14.332 -3.908 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.846 -13.817 -1.625 1.00 0.00 C ATOM 0 H VAL A 15 -0.322 -12.134 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 15 1.221 -11.254 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.098 -13.333 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.681 -15.328 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.243 -14.010 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.956 -14.357 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.563 -14.820 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.874 -13.828 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.766 -13.132 -0.781 1.00 0.00 H new ATOM 181 N GLY A 16 3.670 -11.591 -2.843 1.00 0.00 N ATOM 182 CA GLY A 16 5.071 -11.568 -3.222 1.00 0.00 C ATOM 183 C GLY A 16 5.417 -10.376 -4.093 1.00 0.00 C ATOM 184 O GLY A 16 6.405 -9.685 -3.847 1.00 0.00 O ATOM 0 H GLY A 16 3.482 -11.313 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.687 -11.548 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.315 -12.487 -3.755 1.00 0.00 H new ATOM 188 N SER A 17 4.602 -10.136 -5.115 1.00 0.00 N ATOM 189 CA SER A 17 4.829 -9.023 -6.029 1.00 0.00 C ATOM 190 C SER A 17 4.886 -7.700 -5.271 1.00 0.00 C ATOM 191 O SER A 17 4.099 -7.464 -4.353 1.00 0.00 O ATOM 192 CB SER A 17 3.726 -8.970 -7.087 1.00 0.00 C ATOM 193 OG SER A 17 2.641 -8.168 -6.653 1.00 0.00 O ATOM 0 H SER A 17 3.778 -10.698 -5.331 1.00 0.00 H new ATOM 0 HA SER A 17 5.788 -9.181 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.129 -8.570 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.374 -9.979 -7.301 1.00 0.00 H new ATOM 0 HG SER A 17 2.166 -8.625 -5.927 1.00 0.00 H new ATOM 199 N ILE A 18 5.822 -6.841 -5.661 1.00 0.00 N ATOM 200 CA ILE A 18 5.981 -5.542 -5.020 1.00 0.00 C ATOM 201 C ILE A 18 4.733 -4.684 -5.199 1.00 0.00 C ATOM 202 O ILE A 18 4.345 -4.361 -6.322 1.00 0.00 O ATOM 203 CB ILE A 18 7.197 -4.782 -5.581 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.456 -5.646 -5.481 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.390 -3.468 -4.838 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.816 -6.028 -4.062 1.00 0.00 C ATOM 0 H ILE A 18 6.482 -7.022 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 18 6.140 -5.732 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 18 7.014 -4.559 -6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.312 -6.553 -6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.292 -5.108 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.253 -2.943 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.500 -2.850 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.555 -3.669 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.718 -6.640 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.993 -5.126 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.997 -6.594 -3.619 1.00 0.00 H new ATOM 218 N CYS A 19 4.109 -4.317 -4.085 1.00 0.00 N ATOM 219 CA CYS A 19 2.905 -3.495 -4.118 1.00 0.00 C ATOM 220 C CYS A 19 3.246 -2.022 -3.921 1.00 0.00 C ATOM 221 O CYS A 19 4.036 -1.669 -3.045 1.00 0.00 O ATOM 222 CB CYS A 19 1.921 -3.951 -3.040 1.00 0.00 C ATOM 223 SG CYS A 19 0.208 -3.458 -3.347 1.00 0.00 S ATOM 0 H CYS A 19 4.417 -4.576 -3.148 1.00 0.00 H new ATOM 0 HA CYS A 19 2.441 -3.614 -5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.966 -5.037 -2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.238 -3.545 -2.079 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.548 -3.891 -2.382 1.00 0.00 H new ATOM 229 N ASP A 20 2.648 -1.166 -4.743 1.00 0.00 N ATOM 230 CA ASP A 20 2.890 0.269 -4.660 1.00 0.00 C ATOM 231 C ASP A 20 1.588 1.026 -4.416 1.00 0.00 C ATOM 232 O ASP A 20 0.550 0.700 -4.994 1.00 0.00 O ATOM 233 CB ASP A 20 3.553 0.772 -5.943 1.00 0.00 C ATOM 234 CG ASP A 20 2.589 0.825 -7.111 1.00 0.00 C ATOM 235 OD1 ASP A 20 1.699 1.701 -7.106 1.00 0.00 O ATOM 236 OD2 ASP A 20 2.722 -0.010 -8.030 1.00 0.00 O ATOM 0 H ASP A 20 1.992 -1.442 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 20 3.559 0.451 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.964 1.766 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.390 0.121 -6.196 1.00 0.00 H new ATOM 241 N LEU A 21 1.649 2.037 -3.557 1.00 0.00 N ATOM 242 CA LEU A 21 0.474 2.840 -3.235 1.00 0.00 C ATOM 243 C LEU A 21 0.558 4.214 -3.893 1.00 0.00 C ATOM 244 O LEU A 21 1.458 5.000 -3.600 1.00 0.00 O ATOM 245 CB LEU A 21 0.337 2.995 -1.720 1.00 0.00 C ATOM 246 CG LEU A 21 -1.086 3.167 -1.189 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.893 1.896 -1.404 1.00 0.00 C ATOM 248 CD2 LEU A 21 -1.064 3.543 0.286 1.00 0.00 C ATOM 0 H LEU A 21 2.500 2.321 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.405 2.325 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.778 2.119 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.926 3.857 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.564 3.975 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.903 2.037 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.938 1.670 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.417 1.069 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.086 3.661 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.567 2.757 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.523 4.481 0.414 1.00 0.00 H new ATOM 260 N ASN A 22 -0.389 4.497 -4.782 1.00 0.00 N ATOM 261 CA ASN A 22 -0.423 5.777 -5.480 1.00 0.00 C ATOM 262 C ASN A 22 -0.983 6.873 -4.579 1.00 0.00 C ATOM 263 O ASN A 22 -2.197 6.992 -4.407 1.00 0.00 O ATOM 264 CB ASN A 22 -1.268 5.666 -6.751 1.00 0.00 C ATOM 265 CG ASN A 22 -1.129 4.312 -7.421 1.00 0.00 C ATOM 266 OD1 ASN A 22 -2.119 3.622 -7.662 1.00 0.00 O ATOM 267 ND2 ASN A 22 0.105 3.927 -7.725 1.00 0.00 N ATOM 0 H ASN A 22 -1.142 3.858 -5.036 1.00 0.00 H new ATOM 0 HA ASN A 22 0.599 6.041 -5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.315 5.841 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.971 6.447 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.261 3.026 -8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.896 4.532 -7.506 1.00 0.00 H new ATOM 274 N LEU A 23 -0.091 7.673 -4.006 1.00 0.00 N ATOM 275 CA LEU A 23 -0.495 8.762 -3.122 1.00 0.00 C ATOM 276 C LEU A 23 0.230 10.054 -3.483 1.00 0.00 C ATOM 277 O LEU A 23 1.332 10.029 -4.032 1.00 0.00 O ATOM 278 CB LEU A 23 -0.210 8.394 -1.665 1.00 0.00 C ATOM 279 CG LEU A 23 -1.301 7.599 -0.948 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.706 6.776 0.184 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.381 8.532 -0.420 1.00 0.00 C ATOM 0 H LEU A 23 0.917 7.589 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.566 8.921 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.714 7.817 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.032 9.313 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.757 6.916 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.498 6.217 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.030 6.081 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.223 7.440 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.149 7.949 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.939 9.239 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.829 9.077 -1.251 1.00 0.00 H new ATOM 293 N LYS A 24 -0.395 11.184 -3.170 1.00 0.00 N ATOM 294 CA LYS A 24 0.191 12.488 -3.458 1.00 0.00 C ATOM 295 C LYS A 24 -0.365 13.554 -2.519 1.00 0.00 C ATOM 296 O LYS A 24 -1.563 13.840 -2.531 1.00 0.00 O ATOM 297 CB LYS A 24 -0.080 12.882 -4.912 1.00 0.00 C ATOM 298 CG LYS A 24 -1.557 13.012 -5.242 1.00 0.00 C ATOM 299 CD LYS A 24 -1.785 13.134 -6.739 1.00 0.00 C ATOM 300 CE LYS A 24 -3.246 12.913 -7.100 1.00 0.00 C ATOM 301 NZ LYS A 24 -3.576 11.465 -7.215 1.00 0.00 N ATOM 0 H LYS A 24 -1.308 11.223 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 24 1.267 12.417 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.415 13.830 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.367 12.137 -5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.094 12.143 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.968 13.887 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.471 14.122 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.165 12.406 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.881 13.371 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.466 13.412 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.580 11.356 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.988 11.033 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.390 10.993 -6.307 1.00 0.00 H new ATOM 315 N ILE A 25 0.511 14.138 -1.709 1.00 0.00 N ATOM 316 CA ILE A 25 0.107 15.173 -0.766 1.00 0.00 C ATOM 317 C ILE A 25 1.215 16.202 -0.570 1.00 0.00 C ATOM 318 O ILE A 25 2.215 15.952 0.103 1.00 0.00 O ATOM 319 CB ILE A 25 -0.269 14.573 0.602 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.359 13.512 0.436 1.00 0.00 C ATOM 321 CG2 ILE A 25 -0.730 15.669 1.552 1.00 0.00 C ATOM 322 CD1 ILE A 25 -0.818 12.137 0.111 1.00 0.00 C ATOM 0 H ILE A 25 1.505 13.912 -1.687 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.769 15.663 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 25 0.614 14.096 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.943 13.456 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.040 13.823 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.992 15.230 2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.074 16.392 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.602 16.171 1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.646 11.435 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.258 12.178 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.160 11.806 0.914 1.00 0.00 H new ATOM 334 N PRO A 26 1.035 17.387 -1.171 1.00 0.00 N ATOM 335 CA PRO A 26 2.009 18.479 -1.075 1.00 0.00 C ATOM 336 C PRO A 26 2.065 19.085 0.323 1.00 0.00 C ATOM 337 O PRO A 26 3.140 19.228 0.904 1.00 0.00 O ATOM 338 CB PRO A 26 1.489 19.507 -2.083 1.00 0.00 C ATOM 339 CG PRO A 26 0.028 19.236 -2.181 1.00 0.00 C ATOM 340 CD PRO A 26 -0.133 17.754 -1.989 1.00 0.00 C ATOM 0 HA PRO A 26 3.024 18.138 -1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.681 20.525 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.978 19.395 -3.051 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.523 19.790 -1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.363 19.549 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.069 17.514 -1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.139 17.224 -2.941 1.00 0.00 H new ATOM 348 N GLU A 27 0.900 19.440 0.856 1.00 0.00 N ATOM 349 CA GLU A 27 0.818 20.031 2.187 1.00 0.00 C ATOM 350 C GLU A 27 1.759 19.322 3.156 1.00 0.00 C ATOM 351 O GLU A 27 2.339 19.947 4.044 1.00 0.00 O ATOM 352 CB GLU A 27 -0.618 19.964 2.711 1.00 0.00 C ATOM 353 CG GLU A 27 -0.994 21.132 3.606 1.00 0.00 C ATOM 354 CD GLU A 27 -1.605 22.286 2.834 1.00 0.00 C ATOM 355 OE1 GLU A 27 -2.689 22.096 2.245 1.00 0.00 O ATOM 356 OE2 GLU A 27 -0.998 23.377 2.818 1.00 0.00 O ATOM 0 H GLU A 27 0.001 19.329 0.387 1.00 0.00 H new ATOM 0 HA GLU A 27 1.121 21.075 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.304 19.931 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.751 19.035 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.700 20.792 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.106 21.482 4.133 1.00 0.00 H new ATOM 363 N ILE A 28 1.905 18.013 2.979 1.00 0.00 N ATOM 364 CA ILE A 28 2.775 17.219 3.837 1.00 0.00 C ATOM 365 C ILE A 28 4.066 16.845 3.116 1.00 0.00 C ATOM 366 O ILE A 28 4.098 16.748 1.890 1.00 0.00 O ATOM 367 CB ILE A 28 2.075 15.932 4.313 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.711 16.263 4.921 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.946 15.197 5.320 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.233 15.082 4.965 1.00 0.00 C ATOM 0 H ILE A 28 1.432 17.480 2.249 1.00 0.00 H new ATOM 0 HA ILE A 28 3.011 17.836 4.704 1.00 0.00 H new ATOM 0 HB ILE A 28 1.920 15.281 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.855 16.640 5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.250 17.065 4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.438 14.290 5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.896 14.933 4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.129 15.840 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.180 15.390 5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.407 14.718 3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.207 14.286 5.566 1.00 0.00 H new ATOM 382 N ASN A 29 5.128 16.635 3.886 1.00 0.00 N ATOM 383 CA ASN A 29 6.422 16.271 3.321 1.00 0.00 C ATOM 384 C ASN A 29 6.590 14.755 3.279 1.00 0.00 C ATOM 385 O ASN A 29 6.399 14.071 4.285 1.00 0.00 O ATOM 386 CB ASN A 29 7.554 16.898 4.138 1.00 0.00 C ATOM 387 CG ASN A 29 8.790 17.167 3.301 1.00 0.00 C ATOM 388 OD1 ASN A 29 8.701 17.696 2.194 1.00 0.00 O ATOM 389 ND2 ASN A 29 9.953 16.801 3.830 1.00 0.00 N ATOM 0 H ASN A 29 5.118 16.711 4.903 1.00 0.00 H new ATOM 0 HA ASN A 29 6.465 16.652 2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.206 17.832 4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.814 16.234 4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.819 16.956 3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.979 16.365 4.752 1.00 0.00 H new ATOM 396 N SER A 30 6.949 14.237 2.109 1.00 0.00 N ATOM 397 CA SER A 30 7.140 12.802 1.935 1.00 0.00 C ATOM 398 C SER A 30 7.877 12.203 3.128 1.00 0.00 C ATOM 399 O SER A 30 7.512 11.139 3.628 1.00 0.00 O ATOM 400 CB SER A 30 7.917 12.522 0.647 1.00 0.00 C ATOM 401 OG SER A 30 8.506 11.233 0.677 1.00 0.00 O ATOM 0 H SER A 30 7.113 14.790 1.268 1.00 0.00 H new ATOM 0 HA SER A 30 6.157 12.335 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.247 12.600 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.692 13.277 0.515 1.00 0.00 H new ATOM 0 HG SER A 30 8.995 11.077 -0.158 1.00 0.00 H new ATOM 407 N SER A 31 8.918 12.895 3.581 1.00 0.00 N ATOM 408 CA SER A 31 9.711 12.430 4.713 1.00 0.00 C ATOM 409 C SER A 31 8.920 12.543 6.013 1.00 0.00 C ATOM 410 O SER A 31 8.931 11.632 6.840 1.00 0.00 O ATOM 411 CB SER A 31 11.007 13.236 4.820 1.00 0.00 C ATOM 412 OG SER A 31 11.838 13.017 3.693 1.00 0.00 O ATOM 0 H SER A 31 9.232 13.779 3.181 1.00 0.00 H new ATOM 0 HA SER A 31 9.956 11.381 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.773 14.297 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.540 12.955 5.729 1.00 0.00 H new ATOM 0 HG SER A 31 12.659 13.544 3.784 1.00 0.00 H new ATOM 418 N ASP A 32 8.235 13.668 6.184 1.00 0.00 N ATOM 419 CA ASP A 32 7.436 13.902 7.382 1.00 0.00 C ATOM 420 C ASP A 32 6.345 12.845 7.523 1.00 0.00 C ATOM 421 O ASP A 32 5.951 12.490 8.633 1.00 0.00 O ATOM 422 CB ASP A 32 6.810 15.297 7.340 1.00 0.00 C ATOM 423 CG ASP A 32 7.825 16.395 7.594 1.00 0.00 C ATOM 424 OD1 ASP A 32 8.912 16.086 8.126 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.531 17.561 7.261 1.00 0.00 O ATOM 0 H ASP A 32 8.217 14.432 5.509 1.00 0.00 H new ATOM 0 HA ASP A 32 8.096 13.835 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.345 15.454 6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.018 15.359 8.086 1.00 0.00 H new ATOM 430 N MET A 33 5.861 12.348 6.389 1.00 0.00 N ATOM 431 CA MET A 33 4.815 11.332 6.387 1.00 0.00 C ATOM 432 C MET A 33 5.263 10.088 7.147 1.00 0.00 C ATOM 433 O MET A 33 6.413 9.992 7.577 1.00 0.00 O ATOM 434 CB MET A 33 4.440 10.958 4.951 1.00 0.00 C ATOM 435 CG MET A 33 3.411 11.889 4.330 1.00 0.00 C ATOM 436 SD MET A 33 3.110 11.528 2.589 1.00 0.00 S ATOM 437 CE MET A 33 2.742 9.777 2.664 1.00 0.00 C ATOM 0 H MET A 33 6.176 12.632 5.461 1.00 0.00 H new ATOM 0 HA MET A 33 3.940 11.747 6.888 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.340 10.963 4.336 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.051 9.940 4.939 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.474 11.808 4.881 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.752 12.920 4.430 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.155 9.491 1.792 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.673 9.210 2.677 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.174 9.563 3.570 1.00 0.00 H new ATOM 447 N SER A 34 4.348 9.138 7.311 1.00 0.00 N ATOM 448 CA SER A 34 4.649 7.902 8.024 1.00 0.00 C ATOM 449 C SER A 34 3.657 6.804 7.650 1.00 0.00 C ATOM 450 O SER A 34 2.468 6.899 7.951 1.00 0.00 O ATOM 451 CB SER A 34 4.619 8.139 9.535 1.00 0.00 C ATOM 452 OG SER A 34 3.360 8.641 9.947 1.00 0.00 O ATOM 0 H SER A 34 3.392 9.200 6.960 1.00 0.00 H new ATOM 0 HA SER A 34 5.649 7.579 7.734 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.830 7.206 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.403 8.844 9.811 1.00 0.00 H new ATOM 0 HG SER A 34 2.655 8.260 9.382 1.00 0.00 H new ATOM 458 N ALA A 35 4.157 5.763 6.993 1.00 0.00 N ATOM 459 CA ALA A 35 3.316 4.646 6.579 1.00 0.00 C ATOM 460 C ALA A 35 3.655 3.384 7.365 1.00 0.00 C ATOM 461 O ALA A 35 4.777 3.223 7.848 1.00 0.00 O ATOM 462 CB ALA A 35 3.467 4.396 5.086 1.00 0.00 C ATOM 0 H ALA A 35 5.140 5.669 6.736 1.00 0.00 H new ATOM 0 HA ALA A 35 2.279 4.907 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.833 3.559 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.169 5.288 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.507 4.161 4.860 1.00 0.00 H new ATOM 468 N HIS A 36 2.679 2.490 7.491 1.00 0.00 N ATOM 469 CA HIS A 36 2.874 1.242 8.219 1.00 0.00 C ATOM 470 C HIS A 36 1.967 0.145 7.670 1.00 0.00 C ATOM 471 O HIS A 36 0.748 0.307 7.608 1.00 0.00 O ATOM 472 CB HIS A 36 2.600 1.448 9.709 1.00 0.00 C ATOM 473 CG HIS A 36 3.427 2.534 10.326 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.931 3.789 10.607 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.723 2.547 10.716 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.887 4.528 11.143 1.00 0.00 C ATOM 477 NE2 HIS A 36 4.984 3.797 11.221 1.00 0.00 N ATOM 0 H HIS A 36 1.745 2.607 7.098 1.00 0.00 H new ATOM 0 HA HIS A 36 3.911 0.932 8.087 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.545 1.684 9.847 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.790 0.514 10.237 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.422 1.727 10.644 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.788 5.555 11.463 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.880 4.110 11.595 1.00 0.00 H new ATOM 486 N VAL A 37 2.569 -0.971 7.272 1.00 0.00 N ATOM 487 CA VAL A 37 1.816 -2.095 6.729 1.00 0.00 C ATOM 488 C VAL A 37 1.371 -3.045 7.835 1.00 0.00 C ATOM 489 O VAL A 37 2.149 -3.873 8.309 1.00 0.00 O ATOM 490 CB VAL A 37 2.646 -2.880 5.696 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.883 -4.106 5.218 1.00 0.00 C ATOM 492 CG2 VAL A 37 3.023 -1.986 4.525 1.00 0.00 C ATOM 0 H VAL A 37 3.577 -1.121 7.316 1.00 0.00 H new ATOM 0 HA VAL A 37 0.937 -1.678 6.237 1.00 0.00 H new ATOM 0 HB VAL A 37 3.565 -3.218 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.485 -4.648 4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.670 -4.756 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.947 -3.794 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.609 -2.557 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.118 -1.616 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.613 -1.143 4.886 1.00 0.00 H new ATOM 502 N THR A 38 0.112 -2.920 8.244 1.00 0.00 N ATOM 503 CA THR A 38 -0.438 -3.766 9.295 1.00 0.00 C ATOM 504 C THR A 38 -0.919 -5.099 8.733 1.00 0.00 C ATOM 505 O THR A 38 -1.412 -5.167 7.607 1.00 0.00 O ATOM 506 CB THR A 38 -1.609 -3.074 10.018 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.234 -1.746 10.400 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.026 -3.863 11.250 1.00 0.00 C ATOM 0 H THR A 38 -0.546 -2.240 7.863 1.00 0.00 H new ATOM 0 HA THR A 38 0.366 -3.945 10.009 1.00 0.00 H new ATOM 0 HB THR A 38 -2.454 -3.028 9.332 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.985 -1.313 10.857 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.854 -3.355 11.744 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.340 -4.864 10.952 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.183 -3.936 11.938 1.00 0.00 H new ATOM 516 N SER A 39 -0.773 -6.157 9.524 1.00 0.00 N ATOM 517 CA SER A 39 -1.190 -7.489 9.103 1.00 0.00 C ATOM 518 C SER A 39 -2.481 -7.901 9.805 1.00 0.00 C ATOM 519 O SER A 39 -2.813 -7.414 10.885 1.00 0.00 O ATOM 520 CB SER A 39 -0.088 -8.508 9.398 1.00 0.00 C ATOM 521 OG SER A 39 0.970 -8.400 8.462 1.00 0.00 O ATOM 0 H SER A 39 -0.369 -6.118 10.460 1.00 0.00 H new ATOM 0 HA SER A 39 -1.373 -7.463 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.296 -8.351 10.406 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.503 -9.516 9.368 1.00 0.00 H new ATOM 0 HG SER A 39 1.561 -7.662 8.720 1.00 0.00 H new ATOM 527 N PRO A 40 -3.227 -8.822 9.176 1.00 0.00 N ATOM 528 CA PRO A 40 -4.493 -9.321 9.721 1.00 0.00 C ATOM 529 C PRO A 40 -4.289 -10.189 10.958 1.00 0.00 C ATOM 530 O PRO A 40 -5.251 -10.574 11.623 1.00 0.00 O ATOM 531 CB PRO A 40 -5.070 -10.153 8.573 1.00 0.00 C ATOM 532 CG PRO A 40 -3.883 -10.572 7.775 1.00 0.00 C ATOM 533 CD PRO A 40 -2.892 -9.446 7.885 1.00 0.00 C ATOM 0 HA PRO A 40 -5.144 -8.510 10.047 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.620 -11.016 8.947 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.766 -9.568 7.971 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.462 -11.501 8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.156 -10.752 6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.865 -9.811 7.870 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.992 -8.741 7.060 1.00 0.00 H new ATOM 541 N SER A 41 -3.032 -10.493 11.261 1.00 0.00 N ATOM 542 CA SER A 41 -2.702 -11.319 12.417 1.00 0.00 C ATOM 543 C SER A 41 -2.312 -10.452 13.611 1.00 0.00 C ATOM 544 O SER A 41 -2.364 -10.895 14.757 1.00 0.00 O ATOM 545 CB SER A 41 -1.562 -12.280 12.076 1.00 0.00 C ATOM 546 OG SER A 41 -0.369 -11.573 11.784 1.00 0.00 O ATOM 0 H SER A 41 -2.224 -10.180 10.722 1.00 0.00 H new ATOM 0 HA SER A 41 -3.587 -11.897 12.683 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.391 -12.958 12.912 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.843 -12.894 11.220 1.00 0.00 H new ATOM 0 HG SER A 41 0.345 -12.210 11.571 1.00 0.00 H new ATOM 552 N GLY A 42 -1.921 -9.212 13.331 1.00 0.00 N ATOM 553 CA GLY A 42 -1.528 -8.302 14.390 1.00 0.00 C ATOM 554 C GLY A 42 -0.083 -7.861 14.269 1.00 0.00 C ATOM 555 O GLY A 42 0.541 -7.476 15.258 1.00 0.00 O ATOM 0 H GLY A 42 -1.870 -8.822 12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.175 -7.425 14.370 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.677 -8.786 15.355 1.00 0.00 H new ATOM 559 N ARG A 43 0.451 -7.917 13.053 1.00 0.00 N ATOM 560 CA ARG A 43 1.833 -7.523 12.806 1.00 0.00 C ATOM 561 C ARG A 43 1.897 -6.342 11.842 1.00 0.00 C ATOM 562 O ARG A 43 1.369 -6.404 10.731 1.00 0.00 O ATOM 563 CB ARG A 43 2.628 -8.701 12.240 1.00 0.00 C ATOM 564 CG ARG A 43 4.135 -8.514 12.323 1.00 0.00 C ATOM 565 CD ARG A 43 4.868 -9.497 11.424 1.00 0.00 C ATOM 566 NE ARG A 43 4.784 -10.866 11.926 1.00 0.00 N ATOM 567 CZ ARG A 43 5.269 -11.918 11.276 1.00 0.00 C ATOM 568 NH1 ARG A 43 5.870 -11.759 10.105 1.00 0.00 N ATOM 569 NH2 ARG A 43 5.155 -13.133 11.798 1.00 0.00 N ATOM 0 H ARG A 43 -0.053 -8.231 12.224 1.00 0.00 H new ATOM 0 HA ARG A 43 2.274 -7.219 13.756 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.352 -9.607 12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.346 -8.852 11.198 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.393 -7.495 12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.463 -8.647 13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.447 -9.453 10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.915 -9.204 11.344 1.00 0.00 H new ATOM 0 HE ARG A 43 4.328 -11.023 12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.961 -10.827 9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.241 -12.569 9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.695 -13.260 12.699 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.528 -13.940 11.298 1.00 0.00 H new ATOM 583 N VAL A 44 2.548 -5.267 12.274 1.00 0.00 N ATOM 584 CA VAL A 44 2.682 -4.072 11.450 1.00 0.00 C ATOM 585 C VAL A 44 4.141 -3.644 11.334 1.00 0.00 C ATOM 586 O VAL A 44 4.888 -3.674 12.313 1.00 0.00 O ATOM 587 CB VAL A 44 1.859 -2.901 12.020 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.226 -2.649 13.475 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.067 -1.647 11.184 1.00 0.00 C ATOM 0 H VAL A 44 2.991 -5.199 13.190 1.00 0.00 H new ATOM 0 HA VAL A 44 2.301 -4.326 10.461 1.00 0.00 H new ATOM 0 HB VAL A 44 0.803 -3.167 11.977 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.635 -1.818 13.861 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.021 -3.544 14.062 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.286 -2.404 13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.478 -0.830 11.601 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.122 -1.375 11.193 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.750 -1.836 10.159 1.00 0.00 H new ATOM 599 N THR A 45 4.542 -3.246 10.131 1.00 0.00 N ATOM 600 CA THR A 45 5.912 -2.813 9.887 1.00 0.00 C ATOM 601 C THR A 45 5.947 -1.406 9.300 1.00 0.00 C ATOM 602 O THR A 45 4.905 -0.799 9.058 1.00 0.00 O ATOM 603 CB THR A 45 6.643 -3.774 8.931 1.00 0.00 C ATOM 604 OG1 THR A 45 5.761 -4.184 7.880 1.00 0.00 O ATOM 605 CG2 THR A 45 7.152 -4.997 9.679 1.00 0.00 C ATOM 0 H THR A 45 3.937 -3.215 9.310 1.00 0.00 H new ATOM 0 HA THR A 45 6.421 -2.815 10.851 1.00 0.00 H new ATOM 0 HB THR A 45 7.496 -3.248 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.234 -4.793 7.275 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.665 -5.661 8.984 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.845 -4.684 10.460 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.311 -5.523 10.131 1.00 0.00 H new ATOM 613 N GLU A 46 7.153 -0.895 9.072 1.00 0.00 N ATOM 614 CA GLU A 46 7.323 0.441 8.513 1.00 0.00 C ATOM 615 C GLU A 46 7.558 0.374 7.006 1.00 0.00 C ATOM 616 O GLU A 46 8.414 -0.373 6.534 1.00 0.00 O ATOM 617 CB GLU A 46 8.492 1.157 9.191 1.00 0.00 C ATOM 618 CG GLU A 46 8.519 2.655 8.936 1.00 0.00 C ATOM 619 CD GLU A 46 9.491 3.384 9.842 1.00 0.00 C ATOM 620 OE1 GLU A 46 9.222 3.462 11.059 1.00 0.00 O ATOM 621 OE2 GLU A 46 10.521 3.876 9.336 1.00 0.00 O ATOM 0 H GLU A 46 8.026 -1.386 9.266 1.00 0.00 H new ATOM 0 HA GLU A 46 6.407 1.003 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.441 0.981 10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.427 0.720 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.791 2.838 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.518 3.062 9.080 1.00 0.00 H new ATOM 628 N ALA A 47 6.792 1.161 6.258 1.00 0.00 N ATOM 629 CA ALA A 47 6.917 1.193 4.806 1.00 0.00 C ATOM 630 C ALA A 47 7.820 2.337 4.358 1.00 0.00 C ATOM 631 O ALA A 47 8.046 3.289 5.104 1.00 0.00 O ATOM 632 CB ALA A 47 5.545 1.317 4.160 1.00 0.00 C ATOM 0 H ALA A 47 6.078 1.785 6.634 1.00 0.00 H new ATOM 0 HA ALA A 47 7.374 0.257 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.654 1.340 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.930 0.463 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.067 2.237 4.496 1.00 0.00 H new ATOM 638 N GLU A 48 8.335 2.235 3.137 1.00 0.00 N ATOM 639 CA GLU A 48 9.215 3.262 2.591 1.00 0.00 C ATOM 640 C GLU A 48 8.474 4.133 1.581 1.00 0.00 C ATOM 641 O GLU A 48 7.631 3.646 0.826 1.00 0.00 O ATOM 642 CB GLU A 48 10.436 2.619 1.930 1.00 0.00 C ATOM 643 CG GLU A 48 11.292 3.602 1.148 1.00 0.00 C ATOM 644 CD GLU A 48 12.633 3.017 0.748 1.00 0.00 C ATOM 645 OE1 GLU A 48 13.448 2.729 1.649 1.00 0.00 O ATOM 646 OE2 GLU A 48 12.867 2.848 -0.467 1.00 0.00 O ATOM 0 H GLU A 48 8.158 1.452 2.507 1.00 0.00 H new ATOM 0 HA GLU A 48 9.548 3.895 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.049 2.148 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.101 1.828 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.754 3.914 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.455 4.496 1.750 1.00 0.00 H new ATOM 653 N ILE A 49 8.795 5.422 1.572 1.00 0.00 N ATOM 654 CA ILE A 49 8.161 6.360 0.655 1.00 0.00 C ATOM 655 C ILE A 49 9.167 6.912 -0.350 1.00 0.00 C ATOM 656 O ILE A 49 9.715 7.998 -0.163 1.00 0.00 O ATOM 657 CB ILE A 49 7.511 7.535 1.411 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.613 7.012 2.534 1.00 0.00 C ATOM 659 CG2 ILE A 49 6.714 8.406 0.451 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.493 7.964 3.703 1.00 0.00 C ATOM 0 H ILE A 49 9.491 5.841 2.190 1.00 0.00 H new ATOM 0 HA ILE A 49 7.386 5.807 0.124 1.00 0.00 H new ATOM 0 HB ILE A 49 8.299 8.144 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.619 6.816 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.007 6.060 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.261 9.232 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.378 8.802 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.932 7.809 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.842 7.529 4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.480 8.141 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.071 8.909 3.361 1.00 0.00 H new ATOM 672 N VAL A 50 9.404 6.156 -1.417 1.00 0.00 N ATOM 673 CA VAL A 50 10.342 6.570 -2.454 1.00 0.00 C ATOM 674 C VAL A 50 9.923 7.897 -3.076 1.00 0.00 C ATOM 675 O VAL A 50 8.745 8.147 -3.333 1.00 0.00 O ATOM 676 CB VAL A 50 10.455 5.508 -3.564 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.371 5.995 -4.677 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.953 4.190 -2.992 1.00 0.00 C ATOM 0 H VAL A 50 8.960 5.254 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 50 11.313 6.688 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 50 9.464 5.343 -3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.439 5.232 -5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.967 6.912 -5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.364 6.190 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.027 3.452 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.935 4.337 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.255 3.836 -2.233 1.00 0.00 H new ATOM 688 N PRO A 51 10.910 8.771 -3.324 1.00 0.00 N ATOM 689 CA PRO A 51 10.669 10.089 -3.920 1.00 0.00 C ATOM 690 C PRO A 51 10.250 9.995 -5.384 1.00 0.00 C ATOM 691 O PRO A 51 11.090 10.024 -6.282 1.00 0.00 O ATOM 692 CB PRO A 51 12.025 10.788 -3.796 1.00 0.00 C ATOM 693 CG PRO A 51 13.019 9.680 -3.749 1.00 0.00 C ATOM 694 CD PRO A 51 12.337 8.540 -3.044 1.00 0.00 C ATOM 0 HA PRO A 51 9.855 10.618 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.209 11.449 -4.643 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.073 11.402 -2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.327 9.389 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.919 9.986 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.670 7.575 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.543 8.548 -1.974 1.00 0.00 H new ATOM 702 N MET A 52 8.946 9.883 -5.615 1.00 0.00 N ATOM 703 CA MET A 52 8.416 9.787 -6.970 1.00 0.00 C ATOM 704 C MET A 52 8.565 11.114 -7.707 1.00 0.00 C ATOM 705 O MET A 52 8.926 11.145 -8.883 1.00 0.00 O ATOM 706 CB MET A 52 6.945 9.370 -6.937 1.00 0.00 C ATOM 707 CG MET A 52 6.739 7.864 -6.961 1.00 0.00 C ATOM 708 SD MET A 52 7.156 7.131 -8.554 1.00 0.00 S ATOM 709 CE MET A 52 8.354 5.896 -8.055 1.00 0.00 C ATOM 0 H MET A 52 8.237 9.857 -4.882 1.00 0.00 H new ATOM 0 HA MET A 52 8.988 9.029 -7.505 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.480 9.778 -6.039 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.431 9.812 -7.791 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.350 7.405 -6.183 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.699 7.640 -6.723 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.707 5.356 -8.933 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.197 6.384 -7.566 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.888 5.196 -7.362 1.00 0.00 H new ATOM 719 N GLY A 53 8.282 12.209 -7.008 1.00 0.00 N ATOM 720 CA GLY A 53 8.390 13.524 -7.613 1.00 0.00 C ATOM 721 C GLY A 53 8.443 14.634 -6.582 1.00 0.00 C ATOM 722 O GLY A 53 9.170 14.539 -5.593 1.00 0.00 O ATOM 0 H GLY A 53 7.980 12.209 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.287 13.564 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.539 13.687 -8.275 1.00 0.00 H new ATOM 726 N LYS A 54 7.672 15.691 -6.813 1.00 0.00 N ATOM 727 CA LYS A 54 7.633 16.825 -5.898 1.00 0.00 C ATOM 728 C LYS A 54 6.731 16.531 -4.704 1.00 0.00 C ATOM 729 O LYS A 54 7.200 16.415 -3.573 1.00 0.00 O ATOM 730 CB LYS A 54 7.141 18.078 -6.626 1.00 0.00 C ATOM 731 CG LYS A 54 8.254 18.879 -7.279 1.00 0.00 C ATOM 732 CD LYS A 54 7.904 20.355 -7.363 1.00 0.00 C ATOM 733 CE LYS A 54 8.838 21.097 -8.307 1.00 0.00 C ATOM 734 NZ LYS A 54 8.478 20.873 -9.734 1.00 0.00 N ATOM 0 H LYS A 54 7.065 15.786 -7.627 1.00 0.00 H new ATOM 0 HA LYS A 54 8.645 16.999 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.420 17.785 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.613 18.716 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.175 18.755 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.443 18.492 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.875 20.467 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.960 20.800 -6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.804 22.164 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.863 20.769 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.138 21.395 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.535 19.858 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.509 21.209 -9.904 1.00 0.00 H new ATOM 748 N ASN A 55 5.433 16.408 -4.965 1.00 0.00 N ATOM 749 CA ASN A 55 4.465 16.126 -3.911 1.00 0.00 C ATOM 750 C ASN A 55 3.833 14.751 -4.108 1.00 0.00 C ATOM 751 O ASN A 55 2.644 14.561 -3.854 1.00 0.00 O ATOM 752 CB ASN A 55 3.377 17.201 -3.888 1.00 0.00 C ATOM 753 CG ASN A 55 2.844 17.514 -5.273 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.622 16.614 -6.083 1.00 0.00 O ATOM 755 ND2 ASN A 55 2.635 18.796 -5.551 1.00 0.00 N ATOM 0 H ASN A 55 5.028 16.499 -5.897 1.00 0.00 H new ATOM 0 HA ASN A 55 4.992 16.132 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.556 16.870 -3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.778 18.111 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.276 19.067 -6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.833 19.509 -4.849 1.00 0.00 H new ATOM 762 N SER A 56 4.638 13.795 -4.561 1.00 0.00 N ATOM 763 CA SER A 56 4.157 12.438 -4.795 1.00 0.00 C ATOM 764 C SER A 56 4.727 11.474 -3.759 1.00 0.00 C ATOM 765 O SER A 56 5.797 11.710 -3.197 1.00 0.00 O ATOM 766 CB SER A 56 4.537 11.976 -6.203 1.00 0.00 C ATOM 767 OG SER A 56 4.212 12.960 -7.168 1.00 0.00 O ATOM 0 H SER A 56 5.626 13.935 -4.773 1.00 0.00 H new ATOM 0 HA SER A 56 3.071 12.442 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.605 11.762 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.017 11.047 -6.437 1.00 0.00 H new ATOM 0 HG SER A 56 4.466 12.641 -8.059 1.00 0.00 H new ATOM 773 N HIS A 57 4.004 10.386 -3.512 1.00 0.00 N ATOM 774 CA HIS A 57 4.437 9.385 -2.544 1.00 0.00 C ATOM 775 C HIS A 57 4.185 7.975 -3.071 1.00 0.00 C ATOM 776 O HIS A 57 3.126 7.693 -3.633 1.00 0.00 O ATOM 777 CB HIS A 57 3.709 9.582 -1.214 1.00 0.00 C ATOM 778 CG HIS A 57 3.722 10.999 -0.728 1.00 0.00 C ATOM 779 ND1 HIS A 57 4.847 11.608 -0.215 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.738 11.928 -0.683 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.554 12.850 0.128 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.281 13.070 -0.146 1.00 0.00 N ATOM 0 H HIS A 57 3.116 10.175 -3.968 1.00 0.00 H new ATOM 0 HA HIS A 57 5.508 9.509 -2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.675 9.253 -1.323 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.169 8.944 -0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.717 11.796 -1.009 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.240 13.564 0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.782 13.945 0.015 1.00 0.00 H new ATOM 791 N CYS A 58 5.164 7.096 -2.887 1.00 0.00 N ATOM 792 CA CYS A 58 5.048 5.716 -3.345 1.00 0.00 C ATOM 793 C CYS A 58 5.445 4.742 -2.241 1.00 0.00 C ATOM 794 O CYS A 58 6.618 4.640 -1.880 1.00 0.00 O ATOM 795 CB CYS A 58 5.923 5.492 -4.579 1.00 0.00 C ATOM 796 SG CYS A 58 5.381 4.125 -5.630 1.00 0.00 S ATOM 0 H CYS A 58 6.046 7.314 -2.424 1.00 0.00 H new ATOM 0 HA CYS A 58 4.006 5.532 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.939 6.407 -5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.947 5.304 -4.256 1.00 0.00 H new ATOM 0 HG CYS A 58 6.182 4.016 -6.648 1.00 0.00 H new ATOM 802 N VAL A 59 4.460 4.027 -1.708 1.00 0.00 N ATOM 803 CA VAL A 59 4.706 3.060 -0.644 1.00 0.00 C ATOM 804 C VAL A 59 5.013 1.681 -1.216 1.00 0.00 C ATOM 805 O VAL A 59 4.123 0.993 -1.717 1.00 0.00 O ATOM 806 CB VAL A 59 3.499 2.953 0.307 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.784 1.958 1.422 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.147 4.319 0.876 1.00 0.00 C ATOM 0 H VAL A 59 3.484 4.099 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 59 5.570 3.418 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 59 2.642 2.590 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.920 1.896 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.983 0.976 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.654 2.288 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.292 4.225 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.999 4.713 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.897 4.999 0.062 1.00 0.00 H new ATOM 818 N ARG A 60 6.278 1.281 -1.136 1.00 0.00 N ATOM 819 CA ARG A 60 6.703 -0.017 -1.646 1.00 0.00 C ATOM 820 C ARG A 60 6.782 -1.044 -0.520 1.00 0.00 C ATOM 821 O ARG A 60 7.493 -0.847 0.465 1.00 0.00 O ATOM 822 CB ARG A 60 8.062 0.104 -2.337 1.00 0.00 C ATOM 823 CG ARG A 60 8.811 -1.215 -2.442 1.00 0.00 C ATOM 824 CD ARG A 60 9.949 -1.131 -3.447 1.00 0.00 C ATOM 825 NE ARG A 60 9.500 -0.623 -4.740 1.00 0.00 N ATOM 826 CZ ARG A 60 10.321 -0.355 -5.750 1.00 0.00 C ATOM 827 NH1 ARG A 60 11.626 -0.547 -5.616 1.00 0.00 N ATOM 828 NH2 ARG A 60 9.837 0.106 -6.896 1.00 0.00 N ATOM 0 H ARG A 60 7.026 1.837 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 60 5.963 -0.355 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.916 0.510 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.676 0.819 -1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.207 -1.488 -1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.120 -2.004 -2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.732 -0.482 -3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.390 -2.119 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 60 8.501 -0.465 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.002 -0.901 -4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.254 -0.341 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.834 0.255 -7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.468 0.311 -7.670 1.00 0.00 H new ATOM 842 N PHE A 61 6.046 -2.140 -0.674 1.00 0.00 N ATOM 843 CA PHE A 61 6.031 -3.198 0.330 1.00 0.00 C ATOM 844 C PHE A 61 5.639 -4.534 -0.294 1.00 0.00 C ATOM 845 O PHE A 61 5.114 -4.582 -1.407 1.00 0.00 O ATOM 846 CB PHE A 61 5.061 -2.844 1.459 1.00 0.00 C ATOM 847 CG PHE A 61 3.627 -2.773 1.017 1.00 0.00 C ATOM 848 CD1 PHE A 61 2.957 -3.915 0.610 1.00 0.00 C ATOM 849 CD2 PHE A 61 2.951 -1.564 1.009 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.637 -3.853 0.204 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.631 -1.496 0.604 1.00 0.00 C ATOM 852 CZ PHE A 61 0.974 -2.642 0.199 1.00 0.00 C ATOM 0 H PHE A 61 5.452 -2.319 -1.484 1.00 0.00 H new ATOM 0 HA PHE A 61 7.037 -3.291 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.152 -3.587 2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.349 -1.884 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.472 -4.865 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.461 -0.665 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.125 -4.751 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.114 -0.548 0.604 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.056 -2.591 -0.121 1.00 0.00 H new ATOM 862 N VAL A 62 5.897 -5.617 0.432 1.00 0.00 N ATOM 863 CA VAL A 62 5.571 -6.955 -0.049 1.00 0.00 C ATOM 864 C VAL A 62 4.445 -7.574 0.772 1.00 0.00 C ATOM 865 O VAL A 62 4.597 -7.868 1.958 1.00 0.00 O ATOM 866 CB VAL A 62 6.798 -7.884 0.000 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.428 -9.283 -0.468 1.00 0.00 C ATOM 868 CG2 VAL A 62 7.931 -7.314 -0.839 1.00 0.00 C ATOM 0 H VAL A 62 6.331 -5.594 1.355 1.00 0.00 H new ATOM 0 HA VAL A 62 5.247 -6.849 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 62 7.140 -7.952 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.308 -9.925 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.651 -9.690 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.060 -9.238 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.790 -7.983 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.603 -7.215 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.213 -6.335 -0.452 1.00 0.00 H new ATOM 878 N PRO A 63 3.286 -7.778 0.128 1.00 0.00 N ATOM 879 CA PRO A 63 2.112 -8.365 0.778 1.00 0.00 C ATOM 880 C PRO A 63 2.306 -9.843 1.100 1.00 0.00 C ATOM 881 O PRO A 63 3.289 -10.454 0.682 1.00 0.00 O ATOM 882 CB PRO A 63 1.003 -8.186 -0.262 1.00 0.00 C ATOM 883 CG PRO A 63 1.716 -8.118 -1.568 1.00 0.00 C ATOM 884 CD PRO A 63 3.034 -7.451 -1.286 1.00 0.00 C ATOM 0 HA PRO A 63 1.897 -7.891 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.300 -9.018 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.429 -7.278 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.864 -9.115 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.140 -7.550 -2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.824 -7.832 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.982 -6.374 -1.446 1.00 0.00 H new ATOM 892 N GLN A 64 1.362 -10.411 1.845 1.00 0.00 N ATOM 893 CA GLN A 64 1.431 -11.818 2.222 1.00 0.00 C ATOM 894 C GLN A 64 0.475 -12.655 1.379 1.00 0.00 C ATOM 895 O GLN A 64 -0.322 -12.117 0.611 1.00 0.00 O ATOM 896 CB GLN A 64 1.102 -11.986 3.706 1.00 0.00 C ATOM 897 CG GLN A 64 2.221 -11.535 4.632 1.00 0.00 C ATOM 898 CD GLN A 64 3.487 -12.350 4.457 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.717 -13.324 5.175 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.318 -11.954 3.499 1.00 0.00 N ATOM 0 H GLN A 64 0.542 -9.919 2.199 1.00 0.00 H new ATOM 0 HA GLN A 64 2.447 -12.168 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.200 -11.419 3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.878 -13.034 3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.441 -10.484 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.885 -11.611 5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.087 -11.141 2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.187 -12.463 3.335 1.00 0.00 H new ATOM 909 N GLU A 65 0.561 -13.973 1.528 1.00 0.00 N ATOM 910 CA GLU A 65 -0.296 -14.884 0.779 1.00 0.00 C ATOM 911 C GLU A 65 -1.662 -15.018 1.446 1.00 0.00 C ATOM 912 O GLU A 65 -1.762 -15.429 2.602 1.00 0.00 O ATOM 913 CB GLU A 65 0.363 -16.259 0.661 1.00 0.00 C ATOM 914 CG GLU A 65 0.480 -16.994 1.985 1.00 0.00 C ATOM 915 CD GLU A 65 -0.746 -17.831 2.298 1.00 0.00 C ATOM 916 OE1 GLU A 65 -1.204 -18.569 1.401 1.00 0.00 O ATOM 917 OE2 GLU A 65 -1.246 -17.748 3.439 1.00 0.00 O ATOM 0 H GLU A 65 1.215 -14.434 2.160 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.437 -14.470 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.213 -16.870 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.358 -16.140 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.359 -17.638 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.636 -16.271 2.785 1.00 0.00 H new ATOM 924 N MET A 66 -2.711 -14.667 0.709 1.00 0.00 N ATOM 925 CA MET A 66 -4.071 -14.749 1.229 1.00 0.00 C ATOM 926 C MET A 66 -4.188 -14.018 2.563 1.00 0.00 C ATOM 927 O MET A 66 -4.726 -14.555 3.531 1.00 0.00 O ATOM 928 CB MET A 66 -4.489 -16.211 1.397 1.00 0.00 C ATOM 929 CG MET A 66 -4.655 -16.950 0.079 1.00 0.00 C ATOM 930 SD MET A 66 -3.118 -17.694 -0.499 1.00 0.00 S ATOM 931 CE MET A 66 -2.558 -16.453 -1.663 1.00 0.00 C ATOM 0 H MET A 66 -2.645 -14.323 -0.249 1.00 0.00 H new ATOM 0 HA MET A 66 -4.737 -14.269 0.512 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.743 -16.727 2.002 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.429 -16.251 1.948 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.409 -17.728 0.196 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.026 -16.258 -0.677 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.405 -16.913 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.308 -15.667 -1.745 1.00 0.00 H new ATOM 0 HE3 MET A 66 -1.619 -16.024 -1.313 1.00 0.00 H new ATOM 941 N GLY A 67 -3.680 -12.790 2.608 1.00 0.00 N ATOM 942 CA GLY A 67 -3.738 -12.007 3.828 1.00 0.00 C ATOM 943 C GLY A 67 -4.153 -10.571 3.577 1.00 0.00 C ATOM 944 O GLY A 67 -3.593 -9.897 2.712 1.00 0.00 O ATOM 0 H GLY A 67 -3.229 -12.324 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.442 -12.470 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.761 -12.020 4.311 1.00 0.00 H new ATOM 948 N VAL A 68 -5.141 -10.102 4.333 1.00 0.00 N ATOM 949 CA VAL A 68 -5.632 -8.737 4.187 1.00 0.00 C ATOM 950 C VAL A 68 -4.854 -7.775 5.079 1.00 0.00 C ATOM 951 O VAL A 68 -4.934 -7.847 6.306 1.00 0.00 O ATOM 952 CB VAL A 68 -7.130 -8.640 4.530 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.633 -7.218 4.333 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.934 -9.619 3.688 1.00 0.00 C ATOM 0 H VAL A 68 -5.617 -10.647 5.052 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.487 -8.458 3.143 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.262 -8.904 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.693 -7.170 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.078 -6.542 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.489 -6.922 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.990 -9.537 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.797 -9.388 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.591 -10.635 3.885 1.00 0.00 H new ATOM 964 N HIS A 69 -4.103 -6.874 4.454 1.00 0.00 N ATOM 965 CA HIS A 69 -3.311 -5.896 5.192 1.00 0.00 C ATOM 966 C HIS A 69 -3.937 -4.508 5.098 1.00 0.00 C ATOM 967 O HIS A 69 -4.874 -4.288 4.329 1.00 0.00 O ATOM 968 CB HIS A 69 -1.879 -5.859 4.656 1.00 0.00 C ATOM 969 CG HIS A 69 -1.268 -7.216 4.487 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.776 -8.169 3.628 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.184 -7.778 5.071 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.031 -9.258 3.693 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.058 -9.047 4.561 1.00 0.00 N ATOM 0 H HIS A 69 -4.026 -6.801 3.440 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.292 -6.197 6.239 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.873 -5.344 3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.260 -5.273 5.336 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.598 -8.051 3.036 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.462 -7.315 5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.190 -10.167 3.132 1.00 0.00 H new ATOM 982 N THR A 70 -3.414 -3.573 5.885 1.00 0.00 N ATOM 983 CA THR A 70 -3.923 -2.208 5.893 1.00 0.00 C ATOM 984 C THR A 70 -2.785 -1.197 5.986 1.00 0.00 C ATOM 985 O THR A 70 -1.871 -1.350 6.796 1.00 0.00 O ATOM 986 CB THR A 70 -4.896 -1.977 7.064 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.728 -3.129 7.243 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.764 -0.753 6.813 1.00 0.00 C ATOM 0 H THR A 70 -2.637 -3.737 6.526 1.00 0.00 H new ATOM 0 HA THR A 70 -4.457 -2.065 4.954 1.00 0.00 H new ATOM 0 HB THR A 70 -4.310 -1.808 7.967 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.343 -2.975 7.990 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.443 -0.610 7.653 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.130 0.127 6.705 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.342 -0.898 5.900 1.00 0.00 H new ATOM 996 N VAL A 71 -2.847 -0.164 5.152 1.00 0.00 N ATOM 997 CA VAL A 71 -1.823 0.873 5.143 1.00 0.00 C ATOM 998 C VAL A 71 -2.236 2.062 6.003 1.00 0.00 C ATOM 999 O VAL A 71 -3.139 2.818 5.643 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.535 1.365 3.711 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.364 2.335 3.705 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.266 0.186 2.788 1.00 0.00 C ATOM 0 H VAL A 71 -3.596 -0.023 4.474 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.918 0.427 5.556 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.415 1.893 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.176 2.672 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.600 3.194 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.524 1.836 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.065 0.551 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.403 -0.371 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.138 -0.468 2.769 1.00 0.00 H new ATOM 1012 N SER A 72 -1.568 2.222 7.141 1.00 0.00 N ATOM 1013 CA SER A 72 -1.868 3.318 8.055 1.00 0.00 C ATOM 1014 C SER A 72 -0.918 4.490 7.829 1.00 0.00 C ATOM 1015 O SER A 72 0.250 4.441 8.214 1.00 0.00 O ATOM 1016 CB SER A 72 -1.771 2.841 9.506 1.00 0.00 C ATOM 1017 OG SER A 72 -2.596 1.710 9.727 1.00 0.00 O ATOM 0 H SER A 72 -0.816 1.607 7.452 1.00 0.00 H new ATOM 0 HA SER A 72 -2.886 3.655 7.857 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.736 2.592 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.066 3.647 10.178 1.00 0.00 H new ATOM 0 HG SER A 72 -2.515 1.423 10.661 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.428 5.545 7.201 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.626 6.731 6.923 1.00 0.00 C ATOM 1025 C VAL A 73 -1.111 7.924 7.737 1.00 0.00 C ATOM 1026 O VAL A 73 -2.076 8.593 7.367 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.663 7.095 5.427 1.00 0.00 C ATOM 1028 CG1 VAL A 73 0.116 8.376 5.170 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.116 5.951 4.586 1.00 0.00 C ATOM 0 H VAL A 73 -2.393 5.603 6.875 1.00 0.00 H new ATOM 0 HA VAL A 73 0.400 6.494 7.206 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.700 7.264 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.079 8.618 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.325 9.191 5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.153 8.238 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.150 6.226 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.915 5.748 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.721 5.059 4.748 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.434 8.188 8.850 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.793 9.303 9.719 1.00 0.00 C ATOM 1041 C LYS A 74 0.151 10.482 9.509 1.00 0.00 C ATOM 1042 O LYS A 74 1.304 10.304 9.113 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.762 8.865 11.185 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.040 8.186 11.645 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.289 8.412 13.126 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.713 8.043 13.515 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.829 6.607 13.894 1.00 0.00 N ATOM 0 H LYS A 74 0.367 7.644 9.172 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.804 9.620 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.075 8.183 11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.578 9.737 11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.884 8.569 11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.977 7.116 11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.586 7.817 13.709 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.103 9.457 13.372 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.035 8.666 14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.384 8.254 12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.323 6.088 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.879 6.205 14.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.367 6.524 14.780 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.344 11.685 9.777 1.00 0.00 N ATOM 1062 CA TYR A 75 0.456 12.894 9.617 1.00 0.00 C ATOM 1063 C TYR A 75 0.322 13.802 10.835 1.00 0.00 C ATOM 1064 O TYR A 75 -0.654 14.540 10.969 1.00 0.00 O ATOM 1065 CB TYR A 75 0.032 13.648 8.356 1.00 0.00 C ATOM 1066 CG TYR A 75 0.485 15.090 8.331 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.827 15.415 8.181 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.430 16.128 8.459 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.246 16.731 8.159 1.00 0.00 C ATOM 1070 CE2 TYR A 75 -0.020 17.448 8.437 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.318 17.744 8.287 1.00 0.00 C ATOM 1072 OH TYR A 75 1.730 19.057 8.265 1.00 0.00 O ATOM 0 H TYR A 75 -1.295 11.849 10.106 1.00 0.00 H new ATOM 0 HA TYR A 75 1.500 12.597 9.521 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.435 13.134 7.483 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.054 13.616 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.556 14.625 8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.479 15.900 8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.294 16.966 8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.744 18.243 8.537 1.00 0.00 H new ATOM 0 HH TYR A 75 0.953 19.645 8.366 1.00 0.00 H new ATOM 1082 N ARG A 76 1.310 13.741 11.722 1.00 0.00 N ATOM 1083 CA ARG A 76 1.303 14.557 12.930 1.00 0.00 C ATOM 1084 C ARG A 76 0.109 14.210 13.814 1.00 0.00 C ATOM 1085 O ARG A 76 -0.474 15.082 14.458 1.00 0.00 O ATOM 1086 CB ARG A 76 1.269 16.043 12.568 1.00 0.00 C ATOM 1087 CG ARG A 76 2.627 16.608 12.186 1.00 0.00 C ATOM 1088 CD ARG A 76 2.492 17.910 11.412 1.00 0.00 C ATOM 1089 NE ARG A 76 3.722 18.258 10.706 1.00 0.00 N ATOM 1090 CZ ARG A 76 4.801 18.746 11.307 1.00 0.00 C ATOM 1091 NH1 ARG A 76 4.802 18.942 12.619 1.00 0.00 N ATOM 1092 NH2 ARG A 76 5.883 19.039 10.596 1.00 0.00 N ATOM 0 H ARG A 76 2.125 13.135 11.627 1.00 0.00 H new ATOM 0 HA ARG A 76 2.217 14.347 13.485 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.577 16.190 11.739 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.876 16.606 13.415 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.217 16.778 13.086 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.169 15.879 11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.675 17.823 10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.229 18.714 12.099 1.00 0.00 H new ATOM 0 HE ARG A 76 3.754 18.119 9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.973 18.718 13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.632 19.317 13.078 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.886 18.889 9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.711 19.414 11.059 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.252 12.931 13.838 1.00 0.00 N ATOM 1107 CA GLY A 77 -1.375 12.491 14.644 1.00 0.00 C ATOM 1108 C GLY A 77 -2.706 12.706 13.951 1.00 0.00 C ATOM 1109 O GLY A 77 -3.714 12.981 14.601 1.00 0.00 O ATOM 0 H GLY A 77 0.214 12.191 13.313 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.258 11.433 14.878 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.371 13.030 15.592 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.708 12.582 12.627 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.925 12.767 11.846 1.00 0.00 C ATOM 1115 C GLN A 78 -3.864 11.971 10.546 1.00 0.00 C ATOM 1116 O GLN A 78 -3.012 12.220 9.692 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.139 14.250 11.539 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.489 15.081 12.763 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.842 16.513 12.415 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.710 16.936 11.266 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -5.293 17.270 13.409 1.00 0.00 N ATOM 0 H GLN A 78 -1.882 12.355 12.074 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.764 12.400 12.437 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.234 14.652 11.084 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.937 14.349 10.803 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.329 14.620 13.282 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.646 15.076 13.454 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.387 16.878 14.346 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.546 18.243 13.235 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.772 11.010 10.403 1.00 0.00 N ATOM 1131 CA HIS A 79 -4.821 10.177 9.207 1.00 0.00 C ATOM 1132 C HIS A 79 -5.052 11.027 7.962 1.00 0.00 C ATOM 1133 O HIS A 79 -5.897 11.922 7.957 1.00 0.00 O ATOM 1134 CB HIS A 79 -5.926 9.128 9.336 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.488 7.877 10.033 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.441 7.096 9.589 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.959 7.274 11.149 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.289 6.066 10.401 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.197 6.150 11.356 1.00 0.00 N ATOM 0 H HIS A 79 -5.483 10.789 11.100 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.861 9.671 9.106 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.765 9.562 9.880 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.289 8.871 8.341 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.873 7.285 8.763 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.781 7.613 11.762 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.548 5.287 10.301 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.295 10.741 6.907 1.00 0.00 N ATOM 1149 CA VAL A 80 -4.417 11.479 5.655 1.00 0.00 C ATOM 1150 C VAL A 80 -5.699 11.104 4.920 1.00 0.00 C ATOM 1151 O VAL A 80 -6.418 10.190 5.326 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.213 11.219 4.731 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -1.937 11.770 5.349 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.076 9.732 4.440 1.00 0.00 C ATOM 0 H VAL A 80 -3.591 10.003 6.895 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.445 12.538 5.912 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.383 11.736 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.097 11.577 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.041 12.844 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.758 11.284 6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.220 9.567 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.928 9.190 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.981 9.372 3.951 1.00 0.00 H new ATOM 1164 N THR A 81 -5.981 11.816 3.833 1.00 0.00 N ATOM 1165 CA THR A 81 -7.177 11.560 3.040 1.00 0.00 C ATOM 1166 C THR A 81 -7.127 10.176 2.402 1.00 0.00 C ATOM 1167 O THR A 81 -6.220 9.870 1.630 1.00 0.00 O ATOM 1168 CB THR A 81 -7.354 12.617 1.934 1.00 0.00 C ATOM 1169 OG1 THR A 81 -7.227 13.931 2.486 1.00 0.00 O ATOM 1170 CG2 THR A 81 -8.711 12.473 1.261 1.00 0.00 C ATOM 0 H THR A 81 -5.397 12.575 3.482 1.00 0.00 H new ATOM 0 HA THR A 81 -8.026 11.613 3.721 1.00 0.00 H new ATOM 0 HB THR A 81 -6.576 12.462 1.186 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.339 14.597 1.775 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.814 13.230 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.793 11.482 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.500 12.604 2.001 1.00 0.00 H new ATOM 1178 N GLY A 82 -8.109 9.342 2.731 1.00 0.00 N ATOM 1179 CA GLY A 82 -8.159 8.000 2.180 1.00 0.00 C ATOM 1180 C GLY A 82 -7.717 6.948 3.178 1.00 0.00 C ATOM 1181 O GLY A 82 -8.415 5.958 3.397 1.00 0.00 O ATOM 0 H GLY A 82 -8.871 9.572 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.176 7.782 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.522 7.949 1.297 1.00 0.00 H new ATOM 1185 N SER A 83 -6.553 7.161 3.783 1.00 0.00 N ATOM 1186 CA SER A 83 -6.016 6.219 4.759 1.00 0.00 C ATOM 1187 C SER A 83 -6.886 6.179 6.011 1.00 0.00 C ATOM 1188 O SER A 83 -7.561 7.148 6.361 1.00 0.00 O ATOM 1189 CB SER A 83 -4.582 6.602 5.133 1.00 0.00 C ATOM 1190 OG SER A 83 -4.284 6.223 6.465 1.00 0.00 O ATOM 0 H SER A 83 -5.964 7.977 3.615 1.00 0.00 H new ATOM 0 HA SER A 83 -6.014 5.227 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.883 6.120 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.448 7.678 5.019 1.00 0.00 H new ATOM 0 HG SER A 83 -3.737 6.917 6.888 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.872 5.031 6.704 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.073 3.871 6.297 1.00 0.00 C ATOM 1198 C PRO A 84 -6.608 3.213 5.030 1.00 0.00 C ATOM 1199 O PRO A 84 -7.816 3.189 4.795 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.199 2.918 7.489 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.485 3.293 8.139 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.634 4.776 7.938 1.00 0.00 C ATOM 0 HA PRO A 84 -5.045 4.147 6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.208 1.877 7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.360 3.030 8.176 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.320 2.753 7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.474 3.042 9.200 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.680 5.064 7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.233 5.338 8.781 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.702 2.681 4.217 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.084 2.023 2.973 1.00 0.00 C ATOM 1212 C PHE A 85 -6.024 0.505 3.119 1.00 0.00 C ATOM 1213 O PHE A 85 -4.956 -0.065 3.340 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.170 2.473 1.832 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.184 3.958 1.602 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.162 4.541 0.814 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.218 4.769 2.176 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.176 5.906 0.601 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.228 6.136 1.967 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.209 6.705 1.179 1.00 0.00 C ATOM 0 H PHE A 85 -4.698 2.693 4.397 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.110 2.308 2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.150 2.157 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.472 1.968 0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.922 3.922 0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.449 4.329 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.943 6.348 -0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.470 6.758 2.419 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.220 7.772 1.015 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.179 -0.141 2.995 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.258 -1.592 3.115 1.00 0.00 C ATOM 1232 C GLN A 86 -7.174 -2.257 1.745 1.00 0.00 C ATOM 1233 O GLN A 86 -7.802 -1.807 0.786 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.557 -1.998 3.813 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.451 -3.304 4.584 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.805 -3.857 4.983 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.411 -4.637 4.248 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.288 -3.455 6.153 1.00 0.00 N ATOM 0 H GLN A 86 -8.072 0.317 2.812 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.412 -1.928 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.855 -1.204 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.347 -2.089 3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.927 -4.040 3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.849 -3.145 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.752 -2.807 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.195 -3.794 6.474 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.395 -3.330 1.660 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.228 -4.056 0.406 1.00 0.00 C ATOM 1249 C PHE A 87 -6.035 -5.548 0.663 1.00 0.00 C ATOM 1250 O PHE A 87 -5.330 -5.944 1.592 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.034 -3.503 -0.373 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.709 -3.809 0.264 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.112 -5.048 0.093 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.059 -2.857 1.033 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -1.893 -5.332 0.679 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.839 -3.135 1.621 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.255 -4.374 1.443 1.00 0.00 C ATOM 0 H PHE A 87 -5.869 -3.716 2.444 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.133 -3.921 -0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.047 -3.915 -1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.141 -2.422 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.605 -5.800 -0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.511 -1.886 1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.439 -6.302 0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.343 -2.384 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.301 -4.593 1.900 1.00 0.00 H new ATOM 1267 N THR A 88 -6.669 -6.372 -0.166 1.00 0.00 N ATOM 1268 CA THR A 88 -6.569 -7.820 -0.028 1.00 0.00 C ATOM 1269 C THR A 88 -5.623 -8.407 -1.069 1.00 0.00 C ATOM 1270 O THR A 88 -5.557 -7.931 -2.203 1.00 0.00 O ATOM 1271 CB THR A 88 -7.947 -8.493 -0.166 1.00 0.00 C ATOM 1272 OG1 THR A 88 -8.791 -8.110 0.925 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.809 -10.008 -0.199 1.00 0.00 C ATOM 0 H THR A 88 -7.257 -6.061 -0.940 1.00 0.00 H new ATOM 0 HA THR A 88 -6.175 -8.017 0.969 1.00 0.00 H new ATOM 0 HB THR A 88 -8.395 -8.164 -1.104 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.666 -8.541 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.795 -10.461 -0.297 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.190 -10.299 -1.048 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.342 -10.351 0.724 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.891 -9.445 -0.678 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.949 -10.099 -1.578 1.00 0.00 C ATOM 1283 C VAL A 89 -4.407 -11.512 -1.922 1.00 0.00 C ATOM 1284 O VAL A 89 -4.803 -12.278 -1.044 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.538 -10.164 -0.964 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.577 -10.873 -1.907 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.038 -8.767 -0.630 1.00 0.00 C ATOM 0 H VAL A 89 -4.932 -9.851 0.257 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.914 -9.500 -2.488 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.589 -10.737 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.585 -10.909 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.930 -11.888 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.527 -10.330 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.040 -8.832 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.001 -8.167 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.714 -8.300 0.086 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.351 -11.851 -3.207 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.763 -13.172 -3.644 1.00 0.00 C ATOM 1299 C GLY A 90 -3.591 -14.031 -4.075 1.00 0.00 C ATOM 1300 O GLY A 90 -2.449 -13.806 -3.676 1.00 0.00 O ATOM 0 H GLY A 90 -4.028 -11.234 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.296 -13.670 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.463 -13.075 -4.474 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.871 -15.045 -4.909 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.844 -15.962 -5.412 1.00 0.00 C ATOM 1306 C PRO A 91 -1.894 -15.287 -6.394 1.00 0.00 C ATOM 1307 O PRO A 91 -2.322 -14.534 -7.270 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.657 -17.052 -6.116 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.932 -16.384 -6.501 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.211 -15.372 -5.425 1.00 0.00 C ATOM 0 HA PRO A 91 -2.205 -16.337 -4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.131 -17.436 -6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.838 -17.900 -5.455 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.842 -15.903 -7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.744 -17.107 -6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.715 -14.491 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.853 -15.781 -4.645 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.603 -15.561 -6.245 1.00 0.00 N ATOM 1319 CA LEU A 92 0.409 -14.980 -7.120 1.00 0.00 C ATOM 1320 C LEU A 92 -0.105 -14.876 -8.553 1.00 0.00 C ATOM 1321 O LEU A 92 0.181 -13.909 -9.257 1.00 0.00 O ATOM 1322 CB LEU A 92 1.687 -15.820 -7.084 1.00 0.00 C ATOM 1323 CG LEU A 92 1.677 -17.093 -7.930 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.083 -17.658 -8.061 1.00 0.00 C ATOM 1325 CD2 LEU A 92 0.739 -18.128 -7.326 1.00 0.00 C ATOM 0 H LEU A 92 -0.232 -16.182 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 92 0.632 -13.976 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.518 -15.196 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.887 -16.097 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 92 1.314 -16.841 -8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.056 -18.564 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.728 -16.921 -8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.474 -17.895 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.745 -19.027 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.071 -18.376 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.272 -17.723 -7.285 1.00 0.00 H new