USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=24 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 72 SER OG : rot 180:sc= 0.0256 USER MOD Set 1.2: A 79 HIS :FLIP no HD1:sc= -3.56 F(o=-4.8!,f=-3.9) USER MOD Set 1.3: A 83 SER OG : rot -159:sc= -0.377 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -4.55 K(o=-4.5,f=-7.8!) USER MOD Set 3.1: A 30 SER OG : rot -66:sc= 0.246 USER MOD Set 3.2: A 33 MET CE :methyl 146:sc= -0.105 (180deg=-0.484) USER MOD Set 3.3: A 57 HIS : no HD1:sc= -3.44! K(o=-3.3!,f=-4.2) USER MOD Set 4.1: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 58 CYS SG : rot 180:sc= 0 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= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.157 USER MOD Single : A 36 HIS : no HD1:sc= -0.0798 X(o=-0.08,f=-0.17) 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+ 154:sc= -0.424 (180deg=-1.33!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 48:sc= 0.299 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.581 F(o=-1.4,f=-0.58) USER MOD Single : A 66 MET CE :methyl -171:sc= -0.896 (180deg=-1.28) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.697 K(o=-0.7,f=-2.2!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.871 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.854 -6.107 -5.274 1.00 0.00 N ATOM 142 CA ALA A 13 -2.496 -6.417 -4.845 1.00 0.00 C ATOM 143 C ALA A 13 -2.198 -7.905 -4.997 1.00 0.00 C ATOM 144 O ALA A 13 -3.094 -8.743 -4.887 1.00 0.00 O ATOM 145 CB ALA A 13 -2.285 -5.979 -3.403 1.00 0.00 C ATOM 0 HA ALA A 13 -1.805 -5.868 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.267 -6.217 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.447 -4.904 -3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.990 -6.502 -2.757 1.00 0.00 H new ATOM 151 N THR A 14 -0.934 -8.228 -5.251 1.00 0.00 N ATOM 152 CA THR A 14 -0.518 -9.615 -5.419 1.00 0.00 C ATOM 153 C THR A 14 0.391 -10.059 -4.279 1.00 0.00 C ATOM 154 O THR A 14 1.013 -9.234 -3.610 1.00 0.00 O ATOM 155 CB THR A 14 0.217 -9.822 -6.757 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.709 -9.722 -7.845 1.00 0.00 O ATOM 157 CG2 THR A 14 0.904 -11.179 -6.792 1.00 0.00 C ATOM 0 H THR A 14 -0.180 -7.547 -5.345 1.00 0.00 H new ATOM 0 HA THR A 14 -1.425 -10.220 -5.413 1.00 0.00 H new ATOM 0 HB THR A 14 0.976 -9.046 -6.854 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.234 -9.853 -8.692 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.416 -11.303 -7.746 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.629 -11.241 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.160 -11.967 -6.675 1.00 0.00 H new ATOM 165 N VAL A 15 0.464 -11.368 -4.062 1.00 0.00 N ATOM 166 CA VAL A 15 1.298 -11.923 -3.003 1.00 0.00 C ATOM 167 C VAL A 15 2.745 -12.064 -3.461 1.00 0.00 C ATOM 168 O VAL A 15 3.018 -12.601 -4.535 1.00 0.00 O ATOM 169 CB VAL A 15 0.780 -13.298 -2.542 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.766 -14.280 -3.703 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.627 -13.828 -1.394 1.00 0.00 C ATOM 0 H VAL A 15 -0.045 -12.065 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 15 1.251 -11.227 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.243 -13.181 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.397 -15.246 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.114 -13.903 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.777 -14.396 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.247 -14.800 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.661 -13.931 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.580 -13.133 -0.556 1.00 0.00 H new ATOM 181 N GLY A 16 3.671 -11.580 -2.639 1.00 0.00 N ATOM 182 CA GLY A 16 5.080 -11.663 -2.977 1.00 0.00 C ATOM 183 C GLY A 16 5.510 -10.576 -3.943 1.00 0.00 C ATOM 184 O GLY A 16 6.595 -10.012 -3.810 1.00 0.00 O ATOM 0 H GLY A 16 3.471 -11.132 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.674 -11.591 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.288 -12.638 -3.417 1.00 0.00 H new ATOM 188 N SER A 17 4.656 -10.283 -4.919 1.00 0.00 N ATOM 189 CA SER A 17 4.956 -9.261 -5.915 1.00 0.00 C ATOM 190 C SER A 17 4.910 -7.868 -5.294 1.00 0.00 C ATOM 191 O SER A 17 3.883 -7.448 -4.760 1.00 0.00 O ATOM 192 CB SER A 17 3.965 -9.346 -7.078 1.00 0.00 C ATOM 193 OG SER A 17 4.130 -10.553 -7.801 1.00 0.00 O ATOM 0 H SER A 17 3.752 -10.739 -5.041 1.00 0.00 H new ATOM 0 HA SER A 17 5.963 -9.439 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.946 -9.283 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.109 -8.496 -7.745 1.00 0.00 H new ATOM 0 HG SER A 17 3.484 -10.584 -8.538 1.00 0.00 H new ATOM 199 N ILE A 18 6.031 -7.158 -5.367 1.00 0.00 N ATOM 200 CA ILE A 18 6.119 -5.812 -4.814 1.00 0.00 C ATOM 201 C ILE A 18 4.822 -5.041 -5.033 1.00 0.00 C ATOM 202 O ILE A 18 4.293 -4.998 -6.145 1.00 0.00 O ATOM 203 CB ILE A 18 7.284 -5.022 -5.438 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.618 -5.697 -5.115 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.277 -3.585 -4.940 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.899 -5.801 -3.632 1.00 0.00 C ATOM 0 H ILE A 18 6.890 -7.492 -5.803 1.00 0.00 H new ATOM 0 HA ILE A 18 6.297 -5.922 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 18 7.157 -5.011 -6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.624 -6.697 -5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.424 -5.138 -5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.107 -3.040 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.337 -3.108 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.383 -3.575 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.861 -6.290 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.925 -4.802 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.114 -6.386 -3.153 1.00 0.00 H new ATOM 218 N CYS A 19 4.314 -4.433 -3.967 1.00 0.00 N ATOM 219 CA CYS A 19 3.079 -3.662 -4.042 1.00 0.00 C ATOM 220 C CYS A 19 3.364 -2.167 -3.943 1.00 0.00 C ATOM 221 O CYS A 19 3.914 -1.694 -2.949 1.00 0.00 O ATOM 222 CB CYS A 19 2.120 -4.085 -2.928 1.00 0.00 C ATOM 223 SG CYS A 19 0.451 -3.411 -3.095 1.00 0.00 S ATOM 0 H CYS A 19 4.739 -4.459 -3.040 1.00 0.00 H new ATOM 0 HA CYS A 19 2.614 -3.862 -5.007 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.060 -5.173 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.533 -3.771 -1.969 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.286 -3.827 -2.108 1.00 0.00 H new ATOM 229 N ASP A 20 2.987 -1.428 -4.982 1.00 0.00 N ATOM 230 CA ASP A 20 3.203 0.014 -5.013 1.00 0.00 C ATOM 231 C ASP A 20 1.921 0.762 -4.665 1.00 0.00 C ATOM 232 O ASP A 20 0.820 0.319 -4.997 1.00 0.00 O ATOM 233 CB ASP A 20 3.703 0.446 -6.392 1.00 0.00 C ATOM 234 CG ASP A 20 5.195 0.233 -6.560 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.727 -0.726 -5.964 1.00 0.00 O ATOM 236 OD2 ASP A 20 5.829 1.026 -7.287 1.00 0.00 O ATOM 0 H ASP A 20 2.531 -1.804 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 20 3.959 0.260 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.170 -0.114 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.470 1.500 -6.546 1.00 0.00 H new ATOM 241 N LEU A 21 2.069 1.899 -3.993 1.00 0.00 N ATOM 242 CA LEU A 21 0.922 2.710 -3.598 1.00 0.00 C ATOM 243 C LEU A 21 1.022 4.115 -4.183 1.00 0.00 C ATOM 244 O LEU A 21 1.976 4.844 -3.913 1.00 0.00 O ATOM 245 CB LEU A 21 0.826 2.785 -2.074 1.00 0.00 C ATOM 246 CG LEU A 21 -0.565 3.061 -1.501 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.431 1.814 -1.579 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.462 3.553 -0.065 1.00 0.00 C ATOM 0 H LEU A 21 2.972 2.280 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 21 0.021 2.237 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.187 1.843 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.502 3.566 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.035 3.842 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.417 2.029 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.532 1.506 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.966 1.012 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.461 3.744 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.028 2.794 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.121 4.473 -0.037 1.00 0.00 H new ATOM 260 N ASN A 22 0.030 4.489 -4.983 1.00 0.00 N ATOM 261 CA ASN A 22 0.005 5.809 -5.605 1.00 0.00 C ATOM 262 C ASN A 22 -0.525 6.858 -4.633 1.00 0.00 C ATOM 263 O ASN A 22 -1.714 6.878 -4.310 1.00 0.00 O ATOM 264 CB ASN A 22 -0.859 5.784 -6.868 1.00 0.00 C ATOM 265 CG ASN A 22 -0.070 5.385 -8.100 1.00 0.00 C ATOM 266 OD1 ASN A 22 0.000 6.133 -9.075 1.00 0.00 O ATOM 267 ND2 ASN A 22 0.527 4.200 -8.061 1.00 0.00 N ATOM 0 H ASN A 22 -0.768 3.898 -5.217 1.00 0.00 H new ATOM 0 HA ASN A 22 1.026 6.075 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.684 5.086 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.298 6.769 -7.024 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.071 3.876 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.442 3.613 -7.231 1.00 0.00 H new ATOM 274 N LEU A 23 0.364 7.730 -4.169 1.00 0.00 N ATOM 275 CA LEU A 23 -0.013 8.784 -3.234 1.00 0.00 C ATOM 276 C LEU A 23 0.550 10.131 -3.675 1.00 0.00 C ATOM 277 O LEU A 23 1.765 10.329 -3.703 1.00 0.00 O ATOM 278 CB LEU A 23 0.483 8.446 -1.827 1.00 0.00 C ATOM 279 CG LEU A 23 -0.410 7.517 -1.005 1.00 0.00 C ATOM 280 CD1 LEU A 23 0.282 7.119 0.290 1.00 0.00 C ATOM 281 CD2 LEU A 23 -1.748 8.182 -0.714 1.00 0.00 C ATOM 0 H LEU A 23 1.351 7.728 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.101 8.853 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.469 7.989 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.610 9.377 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.595 6.614 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.369 6.458 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.214 6.602 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.498 8.012 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.371 7.506 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.583 9.102 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.250 8.415 -1.653 1.00 0.00 H new ATOM 293 N LYS A 24 -0.341 11.055 -4.017 1.00 0.00 N ATOM 294 CA LYS A 24 0.066 12.386 -4.454 1.00 0.00 C ATOM 295 C LYS A 24 -0.528 13.460 -3.549 1.00 0.00 C ATOM 296 O LYS A 24 -1.635 13.944 -3.789 1.00 0.00 O ATOM 297 CB LYS A 24 -0.369 12.625 -5.901 1.00 0.00 C ATOM 298 CG LYS A 24 -1.867 12.497 -6.116 1.00 0.00 C ATOM 299 CD LYS A 24 -2.199 12.198 -7.568 1.00 0.00 C ATOM 300 CE LYS A 24 -2.192 10.703 -7.845 1.00 0.00 C ATOM 301 NZ LYS A 24 -2.119 10.410 -9.304 1.00 0.00 N ATOM 0 H LYS A 24 -1.350 10.907 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 24 1.153 12.445 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.051 13.621 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.144 11.914 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.260 11.703 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.359 13.421 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.179 12.609 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.476 12.693 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.343 10.244 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.093 10.252 -7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.116 9.381 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.943 10.826 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.247 10.818 -9.697 1.00 0.00 H new ATOM 315 N ILE A 25 0.215 13.830 -2.511 1.00 0.00 N ATOM 316 CA ILE A 25 -0.238 14.850 -1.573 1.00 0.00 C ATOM 317 C ILE A 25 0.819 15.933 -1.385 1.00 0.00 C ATOM 318 O ILE A 25 1.728 15.811 -0.564 1.00 0.00 O ATOM 319 CB ILE A 25 -0.582 14.240 -0.201 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.353 12.931 -0.380 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.388 15.227 0.630 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.486 12.129 0.896 1.00 0.00 C ATOM 0 H ILE A 25 1.133 13.439 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.137 15.294 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 25 0.346 14.023 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.348 13.154 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.850 12.322 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.624 14.782 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.806 16.136 0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.313 15.472 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.044 11.214 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.495 11.875 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.016 12.720 1.643 1.00 0.00 H new ATOM 334 N PRO A 26 0.697 17.019 -2.162 1.00 0.00 N ATOM 335 CA PRO A 26 1.632 18.147 -2.098 1.00 0.00 C ATOM 336 C PRO A 26 1.498 18.938 -0.802 1.00 0.00 C ATOM 337 O PRO A 26 2.277 19.854 -0.540 1.00 0.00 O ATOM 338 CB PRO A 26 1.229 19.010 -3.296 1.00 0.00 C ATOM 339 CG PRO A 26 -0.204 18.679 -3.536 1.00 0.00 C ATOM 340 CD PRO A 26 -0.362 17.232 -3.162 1.00 0.00 C ATOM 0 HA PRO A 26 2.671 17.818 -2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.360 20.071 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.839 18.784 -4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.857 19.311 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.473 18.844 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.350 17.029 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.237 16.578 -4.025 1.00 0.00 H new ATOM 348 N GLU A 27 0.506 18.578 0.007 1.00 0.00 N ATOM 349 CA GLU A 27 0.271 19.256 1.276 1.00 0.00 C ATOM 350 C GLU A 27 1.253 18.773 2.340 1.00 0.00 C ATOM 351 O GLU A 27 1.660 19.537 3.216 1.00 0.00 O ATOM 352 CB GLU A 27 -1.165 19.020 1.747 1.00 0.00 C ATOM 353 CG GLU A 27 -2.197 19.833 0.984 1.00 0.00 C ATOM 354 CD GLU A 27 -2.260 19.465 -0.485 1.00 0.00 C ATOM 355 OE1 GLU A 27 -2.013 18.285 -0.811 1.00 0.00 O ATOM 356 OE2 GLU A 27 -2.555 20.356 -1.309 1.00 0.00 O ATOM 0 H GLU A 27 -0.147 17.821 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 27 0.424 20.324 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.402 17.961 1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.235 19.263 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.178 19.683 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.962 20.893 1.079 1.00 0.00 H new ATOM 363 N ILE A 28 1.628 17.501 2.258 1.00 0.00 N ATOM 364 CA ILE A 28 2.562 16.917 3.212 1.00 0.00 C ATOM 365 C ILE A 28 3.814 16.402 2.512 1.00 0.00 C ATOM 366 O ILE A 28 3.749 15.904 1.389 1.00 0.00 O ATOM 367 CB ILE A 28 1.914 15.761 3.997 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.558 16.193 4.559 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.835 15.300 5.118 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.403 15.044 4.767 1.00 0.00 C ATOM 0 H ILE A 28 1.299 16.855 1.540 1.00 0.00 H new ATOM 0 HA ILE A 28 2.839 17.709 3.908 1.00 0.00 H new ATOM 0 HB ILE A 28 1.754 14.925 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.714 16.703 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.106 16.916 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.363 14.483 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.779 14.957 4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.023 16.130 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.343 15.424 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.588 14.548 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.029 14.331 5.470 1.00 0.00 H new ATOM 382 N ASN A 29 4.954 16.525 3.184 1.00 0.00 N ATOM 383 CA ASN A 29 6.223 16.071 2.626 1.00 0.00 C ATOM 384 C ASN A 29 6.402 14.570 2.834 1.00 0.00 C ATOM 385 O ASN A 29 5.744 13.967 3.682 1.00 0.00 O ATOM 386 CB ASN A 29 7.387 16.828 3.269 1.00 0.00 C ATOM 387 CG ASN A 29 7.256 18.331 3.111 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.244 18.920 3.488 1.00 0.00 O ATOM 389 ND2 ASN A 29 8.284 18.958 2.549 1.00 0.00 N ATOM 0 H ASN A 29 5.025 16.935 4.115 1.00 0.00 H new ATOM 0 HA ASN A 29 6.214 16.274 1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.437 16.580 4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.324 16.498 2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.254 19.969 2.415 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.103 18.429 2.251 1.00 0.00 H new ATOM 396 N SER A 30 7.298 13.973 2.054 1.00 0.00 N ATOM 397 CA SER A 30 7.562 12.542 2.149 1.00 0.00 C ATOM 398 C SER A 30 8.384 12.223 3.394 1.00 0.00 C ATOM 399 O SER A 30 8.437 11.077 3.839 1.00 0.00 O ATOM 400 CB SER A 30 8.297 12.053 0.900 1.00 0.00 C ATOM 401 OG SER A 30 7.927 12.810 -0.239 1.00 0.00 O ATOM 0 H SER A 30 7.853 14.458 1.349 1.00 0.00 H new ATOM 0 HA SER A 30 6.605 12.025 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.373 12.127 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.071 11.000 0.730 1.00 0.00 H new ATOM 0 HG SER A 30 6.983 12.648 -0.447 1.00 0.00 H new ATOM 407 N SER A 31 9.023 13.246 3.952 1.00 0.00 N ATOM 408 CA SER A 31 9.845 13.076 5.144 1.00 0.00 C ATOM 409 C SER A 31 8.998 13.179 6.408 1.00 0.00 C ATOM 410 O SER A 31 9.312 12.569 7.431 1.00 0.00 O ATOM 411 CB SER A 31 10.958 14.126 5.175 1.00 0.00 C ATOM 412 OG SER A 31 11.759 13.985 6.336 1.00 0.00 O ATOM 0 H SER A 31 8.987 14.202 3.597 1.00 0.00 H new ATOM 0 HA SER A 31 10.292 12.083 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.580 14.027 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.521 15.124 5.149 1.00 0.00 H new ATOM 0 HG SER A 31 12.464 14.666 6.332 1.00 0.00 H new ATOM 418 N ASP A 32 7.922 13.954 6.330 1.00 0.00 N ATOM 419 CA ASP A 32 7.028 14.137 7.467 1.00 0.00 C ATOM 420 C ASP A 32 5.928 13.080 7.469 1.00 0.00 C ATOM 421 O ASP A 32 5.052 13.083 8.333 1.00 0.00 O ATOM 422 CB ASP A 32 6.409 15.535 7.437 1.00 0.00 C ATOM 423 CG ASP A 32 7.320 16.585 8.042 1.00 0.00 C ATOM 424 OD1 ASP A 32 7.911 16.315 9.108 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.443 17.677 7.448 1.00 0.00 O ATOM 0 H ASP A 32 7.648 14.466 5.491 1.00 0.00 H new ATOM 0 HA ASP A 32 7.614 14.027 8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.181 15.806 6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.464 15.522 7.979 1.00 0.00 H new ATOM 430 N MET A 33 5.979 12.178 6.494 1.00 0.00 N ATOM 431 CA MET A 33 4.987 11.116 6.383 1.00 0.00 C ATOM 432 C MET A 33 5.501 9.824 7.012 1.00 0.00 C ATOM 433 O MET A 33 6.703 9.660 7.222 1.00 0.00 O ATOM 434 CB MET A 33 4.628 10.874 4.916 1.00 0.00 C ATOM 435 CG MET A 33 3.501 11.760 4.412 1.00 0.00 C ATOM 436 SD MET A 33 3.292 11.669 2.624 1.00 0.00 S ATOM 437 CE MET A 33 2.931 9.927 2.413 1.00 0.00 C ATOM 0 H MET A 33 6.697 12.162 5.770 1.00 0.00 H new ATOM 0 HA MET A 33 4.093 11.431 6.921 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.513 11.041 4.302 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.343 9.830 4.788 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.570 11.468 4.898 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.700 12.793 4.698 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.229 9.798 1.589 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.853 9.389 2.192 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.491 9.533 3.329 1.00 0.00 H new ATOM 447 N SER A 34 4.583 8.911 7.312 1.00 0.00 N ATOM 448 CA SER A 34 4.943 7.636 7.921 1.00 0.00 C ATOM 449 C SER A 34 3.899 6.569 7.607 1.00 0.00 C ATOM 450 O SER A 34 2.772 6.625 8.098 1.00 0.00 O ATOM 451 CB SER A 34 5.089 7.793 9.436 1.00 0.00 C ATOM 452 OG SER A 34 6.038 8.796 9.755 1.00 0.00 O ATOM 0 H SER A 34 3.584 9.031 7.143 1.00 0.00 H new ATOM 0 HA SER A 34 5.898 7.319 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.124 8.049 9.873 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.396 6.844 9.875 1.00 0.00 H new ATOM 0 HG SER A 34 6.112 8.878 10.729 1.00 0.00 H new ATOM 458 N ALA A 35 4.282 5.598 6.785 1.00 0.00 N ATOM 459 CA ALA A 35 3.381 4.517 6.406 1.00 0.00 C ATOM 460 C ALA A 35 3.716 3.234 7.159 1.00 0.00 C ATOM 461 O ALA A 35 4.886 2.907 7.359 1.00 0.00 O ATOM 462 CB ALA A 35 3.441 4.282 4.904 1.00 0.00 C ATOM 0 H ALA A 35 5.211 5.538 6.368 1.00 0.00 H new ATOM 0 HA ALA A 35 2.367 4.811 6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.763 3.472 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.145 5.192 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.458 4.014 4.618 1.00 0.00 H new ATOM 468 N HIS A 36 2.682 2.510 7.575 1.00 0.00 N ATOM 469 CA HIS A 36 2.867 1.262 8.306 1.00 0.00 C ATOM 470 C HIS A 36 1.904 0.190 7.804 1.00 0.00 C ATOM 471 O HIS A 36 0.687 0.322 7.937 1.00 0.00 O ATOM 472 CB HIS A 36 2.661 1.488 9.804 1.00 0.00 C ATOM 473 CG HIS A 36 3.531 2.566 10.372 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.072 3.837 10.647 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.839 2.557 10.718 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.061 4.564 11.137 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.144 3.810 11.191 1.00 0.00 N ATOM 0 H HIS A 36 1.707 2.766 7.418 1.00 0.00 H new ATOM 0 HA HIS A 36 3.887 0.918 8.135 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.617 1.743 9.984 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.858 0.556 10.334 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.517 1.720 10.637 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.995 5.598 11.441 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.059 4.110 11.529 1.00 0.00 H new ATOM 486 N VAL A 37 2.457 -0.872 7.225 1.00 0.00 N ATOM 487 CA VAL A 37 1.647 -1.966 6.704 1.00 0.00 C ATOM 488 C VAL A 37 1.268 -2.945 7.810 1.00 0.00 C ATOM 489 O VAL A 37 2.087 -3.755 8.245 1.00 0.00 O ATOM 490 CB VAL A 37 2.387 -2.730 5.589 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.572 -3.931 5.133 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.688 -1.804 4.420 1.00 0.00 C ATOM 0 H VAL A 37 3.462 -0.997 7.105 1.00 0.00 H new ATOM 0 HA VAL A 37 0.742 -1.521 6.291 1.00 0.00 H new ATOM 0 HB VAL A 37 3.334 -3.095 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.110 -4.458 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.412 -4.603 5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.609 -3.593 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.211 -2.359 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.755 -1.409 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.315 -0.980 4.761 1.00 0.00 H new ATOM 502 N THR A 38 0.020 -2.865 8.261 1.00 0.00 N ATOM 503 CA THR A 38 -0.469 -3.743 9.316 1.00 0.00 C ATOM 504 C THR A 38 -1.050 -5.028 8.738 1.00 0.00 C ATOM 505 O THR A 38 -1.771 -5.000 7.741 1.00 0.00 O ATOM 506 CB THR A 38 -1.543 -3.047 10.173 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.072 -1.765 10.603 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.901 -3.894 11.386 1.00 0.00 C ATOM 0 H THR A 38 -0.671 -2.201 7.912 1.00 0.00 H new ATOM 0 HA THR A 38 0.387 -3.986 9.946 1.00 0.00 H new ATOM 0 HB THR A 38 -2.437 -2.919 9.562 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.761 -1.328 11.146 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.661 -3.382 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.287 -4.858 11.055 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.012 -4.049 11.997 1.00 0.00 H new ATOM 516 N SER A 39 -0.733 -6.153 9.370 1.00 0.00 N ATOM 517 CA SER A 39 -1.222 -7.449 8.916 1.00 0.00 C ATOM 518 C SER A 39 -2.455 -7.873 9.708 1.00 0.00 C ATOM 519 O SER A 39 -2.688 -7.424 10.830 1.00 0.00 O ATOM 520 CB SER A 39 -0.126 -8.508 9.053 1.00 0.00 C ATOM 521 OG SER A 39 0.776 -8.453 7.961 1.00 0.00 O ATOM 0 H SER A 39 -0.139 -6.193 10.198 1.00 0.00 H new ATOM 0 HA SER A 39 -1.500 -7.357 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.417 -8.355 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.578 -9.499 9.106 1.00 0.00 H new ATOM 0 HG SER A 39 1.467 -9.138 8.073 1.00 0.00 H new ATOM 527 N PRO A 40 -3.266 -8.759 9.110 1.00 0.00 N ATOM 528 CA PRO A 40 -4.489 -9.263 9.740 1.00 0.00 C ATOM 529 C PRO A 40 -4.196 -10.181 10.922 1.00 0.00 C ATOM 530 O PRO A 40 -5.107 -10.597 11.638 1.00 0.00 O ATOM 531 CB PRO A 40 -5.173 -10.043 8.614 1.00 0.00 C ATOM 532 CG PRO A 40 -4.064 -10.445 7.704 1.00 0.00 C ATOM 533 CD PRO A 40 -3.050 -9.336 7.773 1.00 0.00 C ATOM 0 HA PRO A 40 -5.098 -8.457 10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.703 -10.913 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.907 -9.427 8.095 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.627 -11.393 8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.425 -10.581 6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.034 -9.713 7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.208 -8.598 6.987 1.00 0.00 H new ATOM 541 N SER A 41 -2.919 -10.493 11.121 1.00 0.00 N ATOM 542 CA SER A 41 -2.507 -11.365 12.215 1.00 0.00 C ATOM 543 C SER A 41 -2.127 -10.549 13.446 1.00 0.00 C ATOM 544 O SER A 41 -2.078 -11.070 14.560 1.00 0.00 O ATOM 545 CB SER A 41 -1.326 -12.237 11.783 1.00 0.00 C ATOM 546 OG SER A 41 -0.270 -11.445 11.267 1.00 0.00 O ATOM 0 H SER A 41 -2.152 -10.155 10.539 1.00 0.00 H new ATOM 0 HA SER A 41 -3.349 -12.007 12.472 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.968 -12.817 12.633 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.654 -12.950 11.026 1.00 0.00 H new ATOM 0 HG SER A 41 0.473 -12.025 11.000 1.00 0.00 H new ATOM 552 N GLY A 42 -1.859 -9.263 13.237 1.00 0.00 N ATOM 553 CA GLY A 42 -1.487 -8.395 14.338 1.00 0.00 C ATOM 554 C GLY A 42 -0.042 -7.942 14.257 1.00 0.00 C ATOM 555 O GLY A 42 0.540 -7.521 15.257 1.00 0.00 O ATOM 0 H GLY A 42 -1.893 -8.808 12.325 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.139 -7.521 14.344 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.648 -8.919 15.280 1.00 0.00 H new ATOM 559 N ARG A 43 0.537 -8.029 13.065 1.00 0.00 N ATOM 560 CA ARG A 43 1.924 -7.628 12.857 1.00 0.00 C ATOM 561 C ARG A 43 2.012 -6.469 11.869 1.00 0.00 C ATOM 562 O ARG A 43 1.590 -6.587 10.719 1.00 0.00 O ATOM 563 CB ARG A 43 2.749 -8.811 12.348 1.00 0.00 C ATOM 564 CG ARG A 43 4.247 -8.553 12.345 1.00 0.00 C ATOM 565 CD ARG A 43 4.953 -9.380 11.283 1.00 0.00 C ATOM 566 NE ARG A 43 5.353 -10.691 11.787 1.00 0.00 N ATOM 567 CZ ARG A 43 6.472 -10.905 12.471 1.00 0.00 C ATOM 568 NH1 ARG A 43 7.296 -9.900 12.732 1.00 0.00 N ATOM 569 NH2 ARG A 43 6.767 -12.127 12.896 1.00 0.00 N ATOM 0 H ARG A 43 0.068 -8.374 12.228 1.00 0.00 H new ATOM 0 HA ARG A 43 2.328 -7.298 13.814 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.540 -9.682 12.969 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.429 -9.057 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.434 -7.494 12.167 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.660 -8.789 13.326 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.293 -9.507 10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.834 -8.843 10.931 1.00 0.00 H new ATOM 0 HE ARG A 43 4.740 -11.486 11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.072 -8.959 12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.154 -10.067 13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.135 -12.902 12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.626 -12.291 13.421 1.00 0.00 H new ATOM 583 N VAL A 44 2.563 -5.349 12.326 1.00 0.00 N ATOM 584 CA VAL A 44 2.708 -4.169 11.482 1.00 0.00 C ATOM 585 C VAL A 44 4.177 -3.816 11.279 1.00 0.00 C ATOM 586 O VAL A 44 5.009 -4.038 12.159 1.00 0.00 O ATOM 587 CB VAL A 44 1.979 -2.954 12.087 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.412 -2.734 13.528 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.232 -1.710 11.249 1.00 0.00 C ATOM 0 H VAL A 44 2.916 -5.234 13.276 1.00 0.00 H new ATOM 0 HA VAL A 44 2.259 -4.411 10.519 1.00 0.00 H new ATOM 0 HB VAL A 44 0.908 -3.156 12.082 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.886 -1.872 13.938 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.174 -3.619 14.119 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.486 -2.554 13.562 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.710 -0.861 11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.302 -1.502 11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.866 -1.874 10.235 1.00 0.00 H new ATOM 599 N THR A 45 4.491 -3.262 10.111 1.00 0.00 N ATOM 600 CA THR A 45 5.859 -2.878 9.790 1.00 0.00 C ATOM 601 C THR A 45 5.907 -1.497 9.147 1.00 0.00 C ATOM 602 O THR A 45 4.878 -0.841 8.989 1.00 0.00 O ATOM 603 CB THR A 45 6.521 -3.896 8.842 1.00 0.00 C ATOM 604 OG1 THR A 45 5.532 -4.487 7.991 1.00 0.00 O ATOM 605 CG2 THR A 45 7.235 -4.984 9.630 1.00 0.00 C ATOM 0 H THR A 45 3.815 -3.070 9.372 1.00 0.00 H new ATOM 0 HA THR A 45 6.409 -2.857 10.731 1.00 0.00 H new ATOM 0 HB THR A 45 7.256 -3.369 8.233 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.961 -5.132 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.695 -5.691 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.006 -4.534 10.255 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.516 -5.508 10.261 1.00 0.00 H new ATOM 613 N GLU A 46 7.107 -1.062 8.779 1.00 0.00 N ATOM 614 CA GLU A 46 7.287 0.243 8.153 1.00 0.00 C ATOM 615 C GLU A 46 7.318 0.117 6.632 1.00 0.00 C ATOM 616 O GLU A 46 7.757 -0.897 6.092 1.00 0.00 O ATOM 617 CB GLU A 46 8.579 0.897 8.648 1.00 0.00 C ATOM 618 CG GLU A 46 8.827 2.276 8.058 1.00 0.00 C ATOM 619 CD GLU A 46 8.036 3.362 8.760 1.00 0.00 C ATOM 620 OE1 GLU A 46 7.855 3.264 9.991 1.00 0.00 O ATOM 621 OE2 GLU A 46 7.597 4.311 8.076 1.00 0.00 O ATOM 0 H GLU A 46 7.969 -1.593 8.903 1.00 0.00 H new ATOM 0 HA GLU A 46 6.441 0.871 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.543 0.977 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.421 0.249 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.890 2.508 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.565 2.267 7.000 1.00 0.00 H new ATOM 628 N ALA A 47 6.848 1.156 5.949 1.00 0.00 N ATOM 629 CA ALA A 47 6.823 1.163 4.491 1.00 0.00 C ATOM 630 C ALA A 47 7.800 2.190 3.930 1.00 0.00 C ATOM 631 O ALA A 47 7.917 3.298 4.453 1.00 0.00 O ATOM 632 CB ALA A 47 5.414 1.442 3.989 1.00 0.00 C ATOM 0 H ALA A 47 6.480 2.003 6.382 1.00 0.00 H new ATOM 0 HA ALA A 47 7.133 0.178 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.410 1.444 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.738 0.668 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.083 2.414 4.355 1.00 0.00 H new ATOM 638 N GLU A 48 8.500 1.814 2.865 1.00 0.00 N ATOM 639 CA GLU A 48 9.469 2.704 2.235 1.00 0.00 C ATOM 640 C GLU A 48 8.772 3.701 1.313 1.00 0.00 C ATOM 641 O GLU A 48 7.991 3.316 0.442 1.00 0.00 O ATOM 642 CB GLU A 48 10.499 1.894 1.444 1.00 0.00 C ATOM 643 CG GLU A 48 11.256 2.715 0.413 1.00 0.00 C ATOM 644 CD GLU A 48 12.639 2.162 0.128 1.00 0.00 C ATOM 645 OE1 GLU A 48 13.482 2.170 1.049 1.00 0.00 O ATOM 646 OE2 GLU A 48 12.876 1.720 -1.015 1.00 0.00 O ATOM 0 H GLU A 48 8.415 0.900 2.420 1.00 0.00 H new ATOM 0 HA GLU A 48 9.980 3.259 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.213 1.452 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.992 1.071 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.683 2.745 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.345 3.742 0.766 1.00 0.00 H new ATOM 653 N ILE A 49 9.061 4.982 1.512 1.00 0.00 N ATOM 654 CA ILE A 49 8.464 6.034 0.699 1.00 0.00 C ATOM 655 C ILE A 49 9.484 6.631 -0.265 1.00 0.00 C ATOM 656 O ILE A 49 10.317 7.449 0.124 1.00 0.00 O ATOM 657 CB ILE A 49 7.882 7.160 1.574 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.857 6.593 2.558 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.250 8.235 0.703 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.318 7.621 3.529 1.00 0.00 C ATOM 0 H ILE A 49 9.705 5.317 2.229 1.00 0.00 H new ATOM 0 HA ILE A 49 7.657 5.572 0.130 1.00 0.00 H new ATOM 0 HB ILE A 49 8.693 7.613 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.026 6.164 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.316 5.780 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.843 9.024 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.005 8.656 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.448 7.797 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.597 7.149 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.139 8.033 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.829 8.423 2.976 1.00 0.00 H new ATOM 672 N VAL A 50 9.411 6.216 -1.526 1.00 0.00 N ATOM 673 CA VAL A 50 10.326 6.711 -2.547 1.00 0.00 C ATOM 674 C VAL A 50 9.725 7.894 -3.297 1.00 0.00 C ATOM 675 O VAL A 50 8.551 7.893 -3.669 1.00 0.00 O ATOM 676 CB VAL A 50 10.690 5.607 -3.558 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.780 6.087 -4.503 1.00 0.00 C ATOM 678 CG2 VAL A 50 11.120 4.342 -2.832 1.00 0.00 C ATOM 0 H VAL A 50 8.728 5.538 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 50 11.231 7.033 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 50 9.806 5.375 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.024 5.294 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.429 6.963 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.669 6.348 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.374 3.572 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.991 4.556 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.304 3.989 -2.201 1.00 0.00 H new ATOM 688 N PRO A 51 10.547 8.929 -3.527 1.00 0.00 N ATOM 689 CA PRO A 51 10.118 10.138 -4.237 1.00 0.00 C ATOM 690 C PRO A 51 9.866 9.882 -5.719 1.00 0.00 C ATOM 691 O PRO A 51 10.799 9.641 -6.484 1.00 0.00 O ATOM 692 CB PRO A 51 11.298 11.095 -4.052 1.00 0.00 C ATOM 693 CG PRO A 51 12.476 10.207 -3.841 1.00 0.00 C ATOM 694 CD PRO A 51 11.958 8.998 -3.113 1.00 0.00 C ATOM 0 HA PRO A 51 9.174 10.524 -3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.433 11.731 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.142 11.756 -3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.928 9.926 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.247 10.713 -3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.503 8.097 -3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.055 9.107 -2.033 1.00 0.00 H new ATOM 702 N MET A 52 8.599 9.936 -6.117 1.00 0.00 N ATOM 703 CA MET A 52 8.226 9.712 -7.509 1.00 0.00 C ATOM 704 C MET A 52 8.504 10.951 -8.353 1.00 0.00 C ATOM 705 O MET A 52 8.996 10.851 -9.476 1.00 0.00 O ATOM 706 CB MET A 52 6.746 9.335 -7.608 1.00 0.00 C ATOM 707 CG MET A 52 6.360 8.155 -6.731 1.00 0.00 C ATOM 708 SD MET A 52 4.837 7.355 -7.274 1.00 0.00 S ATOM 709 CE MET A 52 5.474 6.204 -8.489 1.00 0.00 C ATOM 0 H MET A 52 7.814 10.133 -5.496 1.00 0.00 H new ATOM 0 HA MET A 52 8.830 8.890 -7.893 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.140 10.197 -7.330 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.508 9.100 -8.645 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.170 7.425 -6.733 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.240 8.495 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.650 5.633 -8.917 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.983 6.755 -9.280 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.178 5.523 -8.011 1.00 0.00 H new ATOM 719 N GLY A 53 8.186 12.120 -7.804 1.00 0.00 N ATOM 720 CA GLY A 53 8.409 13.362 -8.521 1.00 0.00 C ATOM 721 C GLY A 53 7.945 14.574 -7.739 1.00 0.00 C ATOM 722 O GLY A 53 8.524 14.916 -6.707 1.00 0.00 O ATOM 0 H GLY A 53 7.778 12.229 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.471 13.463 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.884 13.326 -9.475 1.00 0.00 H new ATOM 726 N LYS A 54 6.899 15.229 -8.231 1.00 0.00 N ATOM 727 CA LYS A 54 6.357 16.412 -7.573 1.00 0.00 C ATOM 728 C LYS A 54 5.601 16.029 -6.304 1.00 0.00 C ATOM 729 O LYS A 54 4.481 15.524 -6.367 1.00 0.00 O ATOM 730 CB LYS A 54 5.429 17.170 -8.524 1.00 0.00 C ATOM 731 CG LYS A 54 6.162 17.903 -9.634 1.00 0.00 C ATOM 732 CD LYS A 54 6.526 19.320 -9.221 1.00 0.00 C ATOM 733 CE LYS A 54 5.403 20.297 -9.534 1.00 0.00 C ATOM 734 NZ LYS A 54 4.347 20.284 -8.484 1.00 0.00 N ATOM 0 H LYS A 54 6.409 14.960 -9.084 1.00 0.00 H new ATOM 0 HA LYS A 54 7.190 17.059 -7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.725 16.467 -8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.843 17.889 -7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.067 17.356 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.537 17.932 -10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.744 19.344 -8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.434 19.629 -9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.812 21.303 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.960 20.045 -10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.860 21.203 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.660 19.531 -8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.782 20.109 -7.556 1.00 0.00 H new ATOM 748 N ASN A 55 6.220 16.275 -5.154 1.00 0.00 N ATOM 749 CA ASN A 55 5.604 15.957 -3.871 1.00 0.00 C ATOM 750 C ASN A 55 4.789 14.671 -3.963 1.00 0.00 C ATOM 751 O ASN A 55 3.610 14.644 -3.611 1.00 0.00 O ATOM 752 CB ASN A 55 4.708 17.110 -3.413 1.00 0.00 C ATOM 753 CG ASN A 55 5.242 18.463 -3.841 1.00 0.00 C ATOM 754 OD1 ASN A 55 6.084 19.053 -3.165 1.00 0.00 O ATOM 755 ND2 ASN A 55 4.752 18.962 -4.970 1.00 0.00 N ATOM 0 H ASN A 55 7.148 16.693 -5.084 1.00 0.00 H new ATOM 0 HA ASN A 55 6.399 15.811 -3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.707 16.972 -3.821 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.616 17.086 -2.327 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.073 19.869 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.055 18.438 -5.499 1.00 0.00 H new ATOM 762 N SER A 56 5.427 13.605 -4.438 1.00 0.00 N ATOM 763 CA SER A 56 4.761 12.316 -4.579 1.00 0.00 C ATOM 764 C SER A 56 5.336 11.297 -3.599 1.00 0.00 C ATOM 765 O SER A 56 6.491 11.402 -3.183 1.00 0.00 O ATOM 766 CB SER A 56 4.903 11.799 -6.011 1.00 0.00 C ATOM 767 OG SER A 56 4.064 12.517 -6.899 1.00 0.00 O ATOM 0 H SER A 56 6.404 13.609 -4.731 1.00 0.00 H new ATOM 0 HA SER A 56 3.704 12.455 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.941 11.890 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.651 10.739 -6.045 1.00 0.00 H new ATOM 0 HG SER A 56 4.176 13.479 -6.749 1.00 0.00 H new ATOM 773 N HIS A 57 4.522 10.312 -3.234 1.00 0.00 N ATOM 774 CA HIS A 57 4.949 9.273 -2.303 1.00 0.00 C ATOM 775 C HIS A 57 4.649 7.886 -2.863 1.00 0.00 C ATOM 776 O HIS A 57 3.525 7.603 -3.279 1.00 0.00 O ATOM 777 CB HIS A 57 4.255 9.452 -0.953 1.00 0.00 C ATOM 778 CG HIS A 57 3.971 10.882 -0.610 1.00 0.00 C ATOM 779 ND1 HIS A 57 4.918 11.730 -0.076 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.838 11.613 -0.730 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.380 12.921 0.119 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.118 12.876 -0.270 1.00 0.00 N ATOM 0 H HIS A 57 3.564 10.211 -3.568 1.00 0.00 H new ATOM 0 HA HIS A 57 6.026 9.364 -2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.318 8.895 -0.959 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.879 9.017 -0.172 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.890 11.267 -1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.885 13.784 0.527 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.459 13.653 -0.234 1.00 0.00 H new ATOM 791 N CYS A 58 5.661 7.025 -2.870 1.00 0.00 N ATOM 792 CA CYS A 58 5.506 5.667 -3.380 1.00 0.00 C ATOM 793 C CYS A 58 5.827 4.640 -2.299 1.00 0.00 C ATOM 794 O CYS A 58 6.988 4.443 -1.941 1.00 0.00 O ATOM 795 CB CYS A 58 6.411 5.449 -4.593 1.00 0.00 C ATOM 796 SG CYS A 58 6.192 3.846 -5.400 1.00 0.00 S ATOM 0 H CYS A 58 6.597 7.243 -2.528 1.00 0.00 H new ATOM 0 HA CYS A 58 4.467 5.536 -3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.222 6.239 -5.320 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.450 5.547 -4.279 1.00 0.00 H new ATOM 0 HG CYS A 58 6.999 3.757 -6.415 1.00 0.00 H new ATOM 802 N VAL A 59 4.790 3.989 -1.783 1.00 0.00 N ATOM 803 CA VAL A 59 4.961 2.982 -0.742 1.00 0.00 C ATOM 804 C VAL A 59 5.185 1.600 -1.345 1.00 0.00 C ATOM 805 O VAL A 59 4.271 1.006 -1.917 1.00 0.00 O ATOM 806 CB VAL A 59 3.740 2.929 0.195 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.766 1.663 1.036 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.693 4.166 1.079 1.00 0.00 C ATOM 0 H VAL A 59 3.823 4.141 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 59 5.840 3.270 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 59 2.837 2.912 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.895 1.644 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.747 0.791 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.674 1.645 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.824 4.112 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.600 4.217 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.622 5.057 0.455 1.00 0.00 H new ATOM 818 N ARG A 60 6.407 1.094 -1.214 1.00 0.00 N ATOM 819 CA ARG A 60 6.752 -0.219 -1.747 1.00 0.00 C ATOM 820 C ARG A 60 6.994 -1.217 -0.619 1.00 0.00 C ATOM 821 O ARG A 60 7.837 -0.996 0.251 1.00 0.00 O ATOM 822 CB ARG A 60 7.996 -0.122 -2.632 1.00 0.00 C ATOM 823 CG ARG A 60 8.787 -1.418 -2.714 1.00 0.00 C ATOM 824 CD ARG A 60 9.945 -1.302 -3.692 1.00 0.00 C ATOM 825 NE ARG A 60 11.067 -2.158 -3.316 1.00 0.00 N ATOM 826 CZ ARG A 60 11.909 -1.874 -2.328 1.00 0.00 C ATOM 827 NH1 ARG A 60 11.757 -0.762 -1.622 1.00 0.00 N ATOM 828 NH2 ARG A 60 12.906 -2.703 -2.046 1.00 0.00 N ATOM 0 H ARG A 60 7.175 1.573 -0.743 1.00 0.00 H new ATOM 0 HA ARG A 60 5.913 -0.572 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.695 0.174 -3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.644 0.666 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.168 -1.676 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.128 -2.229 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.603 -1.570 -4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.279 -0.265 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 60 11.212 -3.021 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.992 -0.122 -1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.405 -0.547 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.026 -3.559 -2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.552 -2.484 -1.288 1.00 0.00 H new ATOM 842 N PHE A 61 6.247 -2.317 -0.639 1.00 0.00 N ATOM 843 CA PHE A 61 6.379 -3.349 0.383 1.00 0.00 C ATOM 844 C PHE A 61 5.919 -4.703 -0.149 1.00 0.00 C ATOM 845 O PHE A 61 5.241 -4.782 -1.174 1.00 0.00 O ATOM 846 CB PHE A 61 5.568 -2.974 1.625 1.00 0.00 C ATOM 847 CG PHE A 61 4.094 -2.851 1.363 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.340 -3.967 1.038 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.463 -1.620 1.443 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.983 -3.858 0.797 1.00 0.00 C ATOM 851 CE2 PHE A 61 2.107 -1.505 1.204 1.00 0.00 C ATOM 852 CZ PHE A 61 1.366 -2.625 0.879 1.00 0.00 C ATOM 0 H PHE A 61 5.545 -2.516 -1.351 1.00 0.00 H new ATOM 0 HA PHE A 61 7.432 -3.424 0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.730 -3.727 2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.939 -2.028 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.818 -4.933 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.037 -0.741 1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.406 -4.736 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.627 -0.540 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.306 -2.536 0.689 1.00 0.00 H new ATOM 862 N VAL A 62 6.292 -5.767 0.555 1.00 0.00 N ATOM 863 CA VAL A 62 5.917 -7.118 0.155 1.00 0.00 C ATOM 864 C VAL A 62 4.793 -7.659 1.031 1.00 0.00 C ATOM 865 O VAL A 62 4.996 -8.028 2.187 1.00 0.00 O ATOM 866 CB VAL A 62 7.119 -8.079 0.230 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.736 -9.455 -0.294 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.301 -7.515 -0.544 1.00 0.00 C ATOM 0 H VAL A 62 6.854 -5.719 1.405 1.00 0.00 H new ATOM 0 HA VAL A 62 5.572 -7.058 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 62 7.414 -8.183 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.597 -10.120 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.922 -9.860 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.414 -9.372 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.141 -8.207 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.021 -7.380 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.589 -6.554 -0.118 1.00 0.00 H new ATOM 878 N PRO A 63 3.576 -7.708 0.468 1.00 0.00 N ATOM 879 CA PRO A 63 2.394 -8.203 1.179 1.00 0.00 C ATOM 880 C PRO A 63 2.451 -9.708 1.421 1.00 0.00 C ATOM 881 O PRO A 63 3.428 -10.365 1.065 1.00 0.00 O ATOM 882 CB PRO A 63 1.240 -7.856 0.235 1.00 0.00 C ATOM 883 CG PRO A 63 1.863 -7.796 -1.117 1.00 0.00 C ATOM 884 CD PRO A 63 3.261 -7.284 -0.907 1.00 0.00 C ATOM 0 HA PRO A 63 2.299 -7.759 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.454 -8.610 0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.782 -6.904 0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.874 -8.780 -1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.301 -7.135 -1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.958 -7.710 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.313 -6.201 -1.015 1.00 0.00 H new ATOM 892 N GLN A 64 1.397 -10.245 2.027 1.00 0.00 N ATOM 893 CA GLN A 64 1.329 -11.673 2.315 1.00 0.00 C ATOM 894 C GLN A 64 0.336 -12.368 1.389 1.00 0.00 C ATOM 895 O GLN A 64 -0.376 -11.717 0.627 1.00 0.00 O ATOM 896 CB GLN A 64 0.929 -11.901 3.774 1.00 0.00 C ATOM 897 CG GLN A 64 2.071 -11.693 4.757 1.00 0.00 C ATOM 898 CD GLN A 64 3.336 -12.418 4.343 1.00 0.00 C ATOM 899 OE1 GLN A 64 4.146 -11.769 3.515 1.00 0.00 O flip ATOM 900 NE2 GLN A 64 3.584 -13.549 4.763 1.00 0.00 N flip ATOM 0 H GLN A 64 0.580 -9.714 2.328 1.00 0.00 H new ATOM 0 HA GLN A 64 2.317 -12.100 2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.113 -11.224 4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.547 -12.916 3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.280 -10.627 4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.764 -12.040 5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.933 -14.011 5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.440 -14.023 4.476 1.00 0.00 H new ATOM 909 N GLU A 65 0.296 -13.695 1.462 1.00 0.00 N ATOM 910 CA GLU A 65 -0.609 -14.478 0.629 1.00 0.00 C ATOM 911 C GLU A 65 -2.008 -14.522 1.237 1.00 0.00 C ATOM 912 O GLU A 65 -2.165 -14.668 2.449 1.00 0.00 O ATOM 913 CB GLU A 65 -0.073 -15.901 0.452 1.00 0.00 C ATOM 914 CG GLU A 65 -0.569 -16.873 1.509 1.00 0.00 C ATOM 915 CD GLU A 65 -0.075 -18.288 1.278 1.00 0.00 C ATOM 916 OE1 GLU A 65 -0.275 -18.812 0.162 1.00 0.00 O ATOM 917 OE2 GLU A 65 0.514 -18.871 2.213 1.00 0.00 O ATOM 0 H GLU A 65 0.879 -14.250 2.089 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.671 -13.997 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.362 -16.269 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.016 -15.876 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.241 -16.534 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.659 -16.870 1.518 1.00 0.00 H new ATOM 924 N MET A 66 -3.021 -14.393 0.386 1.00 0.00 N ATOM 925 CA MET A 66 -4.407 -14.418 0.839 1.00 0.00 C ATOM 926 C MET A 66 -4.540 -13.780 2.218 1.00 0.00 C ATOM 927 O MET A 66 -5.078 -14.386 3.144 1.00 0.00 O ATOM 928 CB MET A 66 -4.927 -15.857 0.878 1.00 0.00 C ATOM 929 CG MET A 66 -5.370 -16.379 -0.479 1.00 0.00 C ATOM 930 SD MET A 66 -4.195 -15.991 -1.791 1.00 0.00 S ATOM 931 CE MET A 66 -2.849 -17.098 -1.378 1.00 0.00 C ATOM 0 H MET A 66 -2.908 -14.270 -0.620 1.00 0.00 H new ATOM 0 HA MET A 66 -5.004 -13.842 0.132 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.145 -16.507 1.271 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.766 -15.913 1.571 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.502 -17.460 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.341 -15.952 -0.729 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.983 -16.866 -1.998 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.586 -16.975 -0.327 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.157 -18.128 -1.556 1.00 0.00 H new ATOM 941 N GLY A 67 -4.044 -12.553 2.348 1.00 0.00 N ATOM 942 CA GLY A 67 -4.118 -11.854 3.618 1.00 0.00 C ATOM 943 C GLY A 67 -4.460 -10.386 3.453 1.00 0.00 C ATOM 944 O GLY A 67 -3.805 -9.670 2.695 1.00 0.00 O ATOM 0 H GLY A 67 -3.593 -12.031 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.869 -12.330 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.163 -11.945 4.136 1.00 0.00 H new ATOM 948 N VAL A 68 -5.490 -9.937 4.163 1.00 0.00 N ATOM 949 CA VAL A 68 -5.918 -8.545 4.091 1.00 0.00 C ATOM 950 C VAL A 68 -5.101 -7.669 5.034 1.00 0.00 C ATOM 951 O VAL A 68 -5.161 -7.827 6.254 1.00 0.00 O ATOM 952 CB VAL A 68 -7.412 -8.399 4.437 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.825 -6.935 4.416 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.263 -9.215 3.476 1.00 0.00 C ATOM 0 H VAL A 68 -6.043 -10.517 4.794 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.757 -8.217 3.064 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.573 -8.782 5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.883 -6.852 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.237 -6.381 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.651 -6.522 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.316 -9.100 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.100 -8.864 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.984 -10.266 3.546 1.00 0.00 H new ATOM 964 N HIS A 69 -4.338 -6.744 4.462 1.00 0.00 N ATOM 965 CA HIS A 69 -3.509 -5.841 5.252 1.00 0.00 C ATOM 966 C HIS A 69 -4.149 -4.459 5.347 1.00 0.00 C ATOM 967 O HIS A 69 -5.194 -4.204 4.747 1.00 0.00 O ATOM 968 CB HIS A 69 -2.113 -5.728 4.639 1.00 0.00 C ATOM 969 CG HIS A 69 -1.450 -7.052 4.411 1.00 0.00 C ATOM 970 ND1 HIS A 69 -2.010 -8.052 3.645 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.266 -7.537 4.853 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.200 -9.096 3.627 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.134 -8.808 4.352 1.00 0.00 N ATOM 0 H HIS A 69 -4.276 -6.600 3.454 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.424 -6.253 6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.184 -5.198 3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.485 -5.125 5.294 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.909 -7.995 3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.443 -7.020 5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.379 -10.026 3.108 1.00 0.00 H new ATOM 982 N THR A 70 -3.515 -3.569 6.105 1.00 0.00 N ATOM 983 CA THR A 70 -4.023 -2.214 6.280 1.00 0.00 C ATOM 984 C THR A 70 -2.883 -1.204 6.344 1.00 0.00 C ATOM 985 O THR A 70 -2.007 -1.295 7.204 1.00 0.00 O ATOM 986 CB THR A 70 -4.873 -2.094 7.558 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.553 -3.328 7.812 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.888 -0.968 7.430 1.00 0.00 C ATOM 0 H THR A 70 -2.649 -3.763 6.607 1.00 0.00 H new ATOM 0 HA THR A 70 -4.649 -1.996 5.415 1.00 0.00 H new ATOM 0 HB THR A 70 -4.206 -1.868 8.390 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.090 -3.244 8.627 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.477 -0.903 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.367 -0.025 7.266 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.549 -1.168 6.587 1.00 0.00 H new ATOM 996 N VAL A 71 -2.901 -0.240 5.430 1.00 0.00 N ATOM 997 CA VAL A 71 -1.869 0.790 5.384 1.00 0.00 C ATOM 998 C VAL A 71 -2.245 1.983 6.255 1.00 0.00 C ATOM 999 O VAL A 71 -3.113 2.778 5.895 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.625 1.276 3.943 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.375 2.140 3.875 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.518 0.093 2.993 1.00 0.00 C ATOM 0 H VAL A 71 -3.619 -0.150 4.711 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.954 0.339 5.767 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.475 1.885 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.219 2.474 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.496 3.007 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.487 1.559 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.346 0.455 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.687 -0.544 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.444 -0.481 3.021 1.00 0.00 H new ATOM 1012 N SER A 72 -1.585 2.103 7.402 1.00 0.00 N ATOM 1013 CA SER A 72 -1.852 3.198 8.327 1.00 0.00 C ATOM 1014 C SER A 72 -0.973 4.404 8.009 1.00 0.00 C ATOM 1015 O SER A 72 0.237 4.380 8.231 1.00 0.00 O ATOM 1016 CB SER A 72 -1.614 2.746 9.769 1.00 0.00 C ATOM 1017 OG SER A 72 -2.446 3.455 10.670 1.00 0.00 O ATOM 0 H SER A 72 -0.861 1.455 7.713 1.00 0.00 H new ATOM 0 HA SER A 72 -2.896 3.490 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.808 1.677 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.569 2.903 10.035 1.00 0.00 H new ATOM 0 HG SER A 72 -2.276 3.146 11.584 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.592 5.458 7.487 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.868 6.675 7.139 1.00 0.00 C ATOM 1025 C VAL A 73 -1.389 7.870 7.930 1.00 0.00 C ATOM 1026 O VAL A 73 -2.490 8.362 7.680 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.979 6.982 5.634 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.247 8.273 5.297 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.436 5.822 4.813 1.00 0.00 C ATOM 0 H VAL A 73 -2.593 5.494 7.296 1.00 0.00 H new ATOM 0 HA VAL A 73 0.178 6.504 7.392 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.032 7.113 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.336 8.474 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.686 9.097 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.806 8.174 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.522 6.056 3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.612 5.657 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.008 4.921 5.034 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.591 8.333 8.885 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.969 9.472 9.713 1.00 0.00 C ATOM 1041 C LYS A 74 0.040 10.608 9.570 1.00 0.00 C ATOM 1042 O LYS A 74 1.225 10.372 9.335 1.00 0.00 O ATOM 1043 CB LYS A 74 -1.072 9.050 11.181 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.452 8.550 11.574 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.726 8.775 13.051 1.00 0.00 C ATOM 1046 CE LYS A 74 -1.679 8.097 13.922 1.00 0.00 C ATOM 1047 NZ LYS A 74 -1.823 8.474 15.356 1.00 0.00 N ATOM 0 H LYS A 74 0.323 7.937 9.105 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.942 9.828 9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.341 8.266 11.377 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.808 9.897 11.814 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.209 9.063 10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.534 7.487 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.738 9.845 13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.714 8.390 13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.767 7.015 13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.683 8.370 13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.092 7.992 15.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.714 9.503 15.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.764 8.190 15.697 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.437 11.839 9.715 1.00 0.00 N ATOM 1062 CA TYR A 75 0.423 13.010 9.601 1.00 0.00 C ATOM 1063 C TYR A 75 0.279 13.913 10.822 1.00 0.00 C ATOM 1064 O TYR A 75 -0.754 14.556 11.014 1.00 0.00 O ATOM 1065 CB TYR A 75 0.087 13.794 8.331 1.00 0.00 C ATOM 1066 CG TYR A 75 0.538 15.236 8.372 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.834 15.589 8.015 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.330 16.246 8.768 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.251 16.906 8.051 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.078 17.565 8.806 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.369 17.890 8.447 1.00 0.00 C ATOM 1072 OH TYR A 75 1.780 19.203 8.485 1.00 0.00 O ATOM 0 H TYR A 75 -1.415 12.052 9.912 1.00 0.00 H new ATOM 0 HA TYR A 75 1.456 12.666 9.546 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.551 13.301 7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.991 13.764 8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.527 14.821 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.342 15.995 9.051 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.262 17.163 7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.610 18.338 9.115 1.00 0.00 H new ATOM 0 HH TYR A 75 1.038 19.769 8.784 1.00 0.00 H new ATOM 1082 N ARG A 76 1.322 13.957 11.644 1.00 0.00 N ATOM 1083 CA ARG A 76 1.313 14.781 12.847 1.00 0.00 C ATOM 1084 C ARG A 76 0.175 14.371 13.777 1.00 0.00 C ATOM 1085 O ARG A 76 -0.388 15.202 14.489 1.00 0.00 O ATOM 1086 CB ARG A 76 1.177 16.259 12.478 1.00 0.00 C ATOM 1087 CG ARG A 76 2.507 16.943 12.202 1.00 0.00 C ATOM 1088 CD ARG A 76 2.445 18.429 12.518 1.00 0.00 C ATOM 1089 NE ARG A 76 2.027 18.680 13.894 1.00 0.00 N ATOM 1090 CZ ARG A 76 1.534 19.840 14.313 1.00 0.00 C ATOM 1091 NH1 ARG A 76 1.398 20.850 13.466 1.00 0.00 N ATOM 1092 NH2 ARG A 76 1.177 19.991 15.582 1.00 0.00 N ATOM 0 H ARG A 76 2.184 13.432 11.499 1.00 0.00 H new ATOM 0 HA ARG A 76 2.258 14.630 13.368 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.543 16.348 11.596 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.670 16.782 13.289 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.289 16.475 12.800 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.779 16.803 11.156 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.425 18.876 12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.750 18.916 11.834 1.00 0.00 H new ATOM 0 HE ARG A 76 2.119 17.923 14.571 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.672 20.738 12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.019 21.740 13.790 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.281 19.216 16.237 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.799 20.882 15.903 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.159 13.084 13.765 1.00 0.00 N ATOM 1107 CA GLY A 77 -1.228 12.587 14.611 1.00 0.00 C ATOM 1108 C GLY A 77 -2.601 12.836 14.017 1.00 0.00 C ATOM 1109 O GLY A 77 -3.542 13.171 14.735 1.00 0.00 O ATOM 0 H GLY A 77 0.292 12.377 13.184 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.093 11.517 14.771 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.166 13.066 15.588 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.713 12.674 12.702 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.980 12.886 12.013 1.00 0.00 C ATOM 1115 C GLN A 78 -4.054 12.049 10.740 1.00 0.00 C ATOM 1116 O GLN A 78 -3.296 12.270 9.795 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.159 14.367 11.675 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.419 15.242 12.891 1.00 0.00 C ATOM 1119 CD GLN A 78 -4.926 16.622 12.520 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -6.111 16.920 12.666 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -4.028 17.472 12.036 1.00 0.00 N ATOM 0 H GLN A 78 -1.943 12.397 12.094 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.784 12.573 12.679 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.265 14.725 11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.989 14.474 10.977 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.148 14.753 13.537 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.499 15.340 13.467 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.056 17.182 11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.311 18.415 11.768 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.972 11.088 10.722 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.145 10.218 9.565 1.00 0.00 C ATOM 1132 C HIS A 79 -5.592 11.018 8.345 1.00 0.00 C ATOM 1133 O HIS A 79 -6.516 11.827 8.425 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.167 9.122 9.872 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.591 7.961 10.622 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -5.752 7.570 11.908 1.00 0.00 N flip ATOM 1137 CD2 HIS A 79 -4.736 7.044 10.049 1.00 0.00 C flip ATOM 1138 CE1 HIS A 79 -5.000 6.435 12.087 1.00 0.00 C flip ATOM 1139 NE2 HIS A 79 -4.397 6.138 10.950 1.00 0.00 N flip ATOM 0 H HIS A 79 -5.607 10.892 11.496 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.183 9.756 9.343 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.984 9.550 10.453 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.595 8.763 8.936 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.396 7.063 9.024 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.915 5.876 13.007 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.775 5.344 10.794 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.928 10.787 7.216 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.257 11.487 5.980 1.00 0.00 C ATOM 1150 C VAL A 80 -6.558 10.964 5.382 1.00 0.00 C ATOM 1151 O VAL A 80 -7.081 9.933 5.808 1.00 0.00 O ATOM 1152 CB VAL A 80 -4.132 11.343 4.938 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.802 11.793 5.522 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -4.047 9.907 4.441 1.00 0.00 C ATOM 0 H VAL A 80 -4.160 10.121 7.132 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.375 12.540 6.234 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.364 11.985 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.019 11.684 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.872 12.838 5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.560 11.180 6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.247 9.823 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.839 9.243 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.994 9.625 3.981 1.00 0.00 H new ATOM 1164 N THR A 81 -7.079 11.682 4.391 1.00 0.00 N ATOM 1165 CA THR A 81 -8.320 11.291 3.734 1.00 0.00 C ATOM 1166 C THR A 81 -8.198 9.907 3.107 1.00 0.00 C ATOM 1167 O THR A 81 -7.233 9.618 2.401 1.00 0.00 O ATOM 1168 CB THR A 81 -8.721 12.303 2.645 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.854 13.610 3.215 1.00 0.00 O ATOM 1170 CG2 THR A 81 -10.029 11.896 1.984 1.00 0.00 C ATOM 0 H THR A 81 -6.660 12.537 4.026 1.00 0.00 H new ATOM 0 HA THR A 81 -9.092 11.271 4.503 1.00 0.00 H new ATOM 0 HB THR A 81 -7.938 12.317 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.107 14.248 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.292 12.626 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.915 10.914 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.819 11.856 2.734 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.184 9.055 3.370 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.168 7.711 2.822 1.00 0.00 C ATOM 1180 C GLY A 82 -8.418 6.734 3.706 1.00 0.00 C ATOM 1181 O GLY A 82 -8.816 5.576 3.840 1.00 0.00 O ATOM 0 H GLY A 82 -9.993 9.271 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.193 7.364 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.708 7.730 1.834 1.00 0.00 H new ATOM 1185 N SER A 83 -7.329 7.199 4.309 1.00 0.00 N ATOM 1186 CA SER A 83 -6.518 6.357 5.180 1.00 0.00 C ATOM 1187 C SER A 83 -7.240 6.082 6.496 1.00 0.00 C ATOM 1188 O SER A 83 -8.011 6.903 6.993 1.00 0.00 O ATOM 1189 CB SER A 83 -5.168 7.021 5.455 1.00 0.00 C ATOM 1190 OG SER A 83 -4.570 6.496 6.628 1.00 0.00 O ATOM 0 H SER A 83 -6.988 8.155 4.210 1.00 0.00 H new ATOM 0 HA SER A 83 -6.350 5.407 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.504 6.867 4.605 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.304 8.097 5.563 1.00 0.00 H new ATOM 0 HG SER A 83 -3.902 7.128 6.966 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.985 4.899 7.074 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.070 3.914 6.490 1.00 0.00 C ATOM 1198 C PRO A 84 -6.630 3.283 5.220 1.00 0.00 C ATOM 1199 O PRO A 84 -7.836 3.324 4.974 1.00 0.00 O ATOM 1200 CB PRO A 84 -5.931 2.861 7.593 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.185 2.979 8.388 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.571 4.431 8.341 1.00 0.00 C ATOM 0 HA PRO A 84 -5.124 4.365 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.820 1.861 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.052 3.047 8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.973 2.352 7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.028 2.650 9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.653 4.560 8.355 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.174 4.980 9.195 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.747 2.700 4.415 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.154 2.061 3.169 1.00 0.00 C ATOM 1212 C PHE A 85 -6.091 0.541 3.292 1.00 0.00 C ATOM 1213 O PHE A 85 -5.033 -0.026 3.561 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.262 2.528 2.017 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.305 4.012 1.789 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.290 4.576 0.995 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.361 4.843 2.371 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.331 5.941 0.783 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.397 6.209 2.163 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.384 6.759 1.369 1.00 0.00 C ATOM 0 H PHE A 85 -4.745 2.657 4.603 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.185 2.349 2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.234 2.229 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.567 2.019 1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.034 3.942 0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.588 4.418 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.103 6.368 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.654 6.845 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.416 7.826 1.206 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.233 -0.110 3.093 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.308 -1.563 3.182 1.00 0.00 C ATOM 1232 C GLN A 86 -7.268 -2.197 1.796 1.00 0.00 C ATOM 1233 O GLN A 86 -7.941 -1.738 0.872 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.585 -1.985 3.912 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.497 -3.365 4.544 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.849 -4.042 4.658 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.116 -5.037 3.984 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.710 -3.504 5.513 1.00 0.00 N ATOM 0 H GLN A 86 -8.118 0.346 2.869 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.443 -1.912 3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.809 -1.253 4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.418 -1.969 3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.831 -3.991 3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.053 -3.279 5.536 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.446 -2.679 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.636 -3.916 5.632 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.475 -3.254 1.656 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.346 -3.950 0.381 1.00 0.00 C ATOM 1249 C PHE A 87 -6.137 -5.446 0.597 1.00 0.00 C ATOM 1250 O PHE A 87 -5.366 -5.859 1.464 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.181 -3.372 -0.424 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.835 -3.661 0.177 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.192 -4.863 -0.076 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.212 -2.732 0.994 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -1.954 -5.132 0.476 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.974 -2.995 1.549 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.344 -4.196 1.289 1.00 0.00 C ATOM 0 H PHE A 87 -5.912 -3.647 2.410 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.271 -3.807 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.213 -3.777 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.308 -2.293 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.664 -5.597 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.700 -1.791 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.464 -6.073 0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.500 -2.262 2.185 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.376 -4.403 1.720 1.00 0.00 H new ATOM 1267 N THR A 88 -6.831 -6.256 -0.197 1.00 0.00 N ATOM 1268 CA THR A 88 -6.724 -7.705 -0.093 1.00 0.00 C ATOM 1269 C THR A 88 -5.697 -8.253 -1.078 1.00 0.00 C ATOM 1270 O THR A 88 -5.613 -7.799 -2.220 1.00 0.00 O ATOM 1271 CB THR A 88 -8.080 -8.389 -0.349 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.039 -7.953 0.621 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.943 -9.903 -0.290 1.00 0.00 C ATOM 0 H THR A 88 -7.474 -5.932 -0.920 1.00 0.00 H new ATOM 0 HA THR A 88 -6.401 -7.925 0.925 1.00 0.00 H new ATOM 0 HB THR A 88 -8.420 -8.110 -1.346 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.899 -8.391 0.451 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.914 -10.364 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.235 -10.234 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.582 -10.198 0.696 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.918 -9.233 -0.631 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.898 -9.844 -1.474 1.00 0.00 C ATOM 1283 C VAL A 89 -4.380 -11.174 -2.043 1.00 0.00 C ATOM 1284 O VAL A 89 -5.022 -11.961 -1.349 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.590 -10.075 -0.695 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.550 -10.743 -1.582 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.063 -8.761 -0.138 1.00 0.00 C ATOM 0 H VAL A 89 -4.974 -9.621 0.311 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.706 -9.150 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.799 -10.741 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.633 -10.898 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.930 -11.705 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.341 -10.106 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.138 -8.943 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.869 -8.070 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.804 -8.328 0.534 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.065 -11.418 -3.311 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.473 -12.655 -3.952 1.00 0.00 C ATOM 1299 C GLY A 90 -3.296 -13.547 -4.293 1.00 0.00 C ATOM 1300 O GLY A 90 -2.213 -13.429 -3.719 1.00 0.00 O ATOM 0 H GLY A 90 -3.535 -10.782 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.155 -13.194 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.025 -12.424 -4.863 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.502 -14.466 -5.248 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.461 -15.401 -5.686 1.00 0.00 C ATOM 1306 C PRO A 91 -1.345 -14.705 -6.458 1.00 0.00 C ATOM 1307 O PRO A 91 -1.585 -13.732 -7.175 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.216 -16.372 -6.596 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.386 -15.595 -7.092 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.767 -14.662 -5.975 1.00 0.00 C ATOM 0 HA PRO A 91 -1.966 -15.884 -4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.588 -16.712 -7.420 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.534 -17.260 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.131 -15.040 -7.995 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.214 -16.256 -7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.162 -13.720 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.536 -15.095 -5.335 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.125 -15.210 -6.309 1.00 0.00 N ATOM 1319 CA LEU A 92 1.029 -14.637 -6.993 1.00 0.00 C ATOM 1320 C LEU A 92 0.746 -14.459 -8.482 1.00 0.00 C ATOM 1321 O LEU A 92 1.264 -13.542 -9.117 1.00 0.00 O ATOM 1322 CB LEU A 92 2.256 -15.529 -6.799 1.00 0.00 C ATOM 1323 CG LEU A 92 2.186 -16.916 -7.440 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.581 -17.500 -7.601 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.310 -17.843 -6.610 1.00 0.00 C ATOM 0 H LEU A 92 0.090 -16.015 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 92 1.228 -13.657 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.126 -15.009 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.425 -15.653 -5.729 1.00 0.00 H new ATOM 0 HG LEU A 92 1.740 -16.816 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.512 -18.487 -8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.178 -16.846 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.055 -17.586 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.271 -18.825 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.727 -17.937 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.303 -17.431 -6.546 1.00 0.00 H new