USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 444 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 51 LYS NZ :NH3+ 165:sc= 1.44 (180deg=0.578!) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc=-0.00218 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -39:sc= -2.72! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00677 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 35 HIS : no HD1:sc= -3.28 K(o=-3.3,f=-4.5!) USER MOD Single : A 54 ASN : amide:sc= -8.74! C(o=-8.7!,f=-26!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc=-0.00247 X(o=-0.0025,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -130:sc= -0.185 (180deg=-1.76!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 3.777 -1.689 -11.311 1.00 0.00 N ATOM 138 CA TYR A 12 4.454 -0.926 -10.270 1.00 0.00 C ATOM 139 C TYR A 12 5.569 -0.068 -10.862 1.00 0.00 C ATOM 140 O TYR A 12 6.153 -0.390 -11.897 1.00 0.00 O ATOM 141 CB TYR A 12 5.028 -1.867 -9.210 1.00 0.00 C ATOM 142 CG TYR A 12 3.976 -2.678 -8.487 1.00 0.00 C ATOM 143 CD1 TYR A 12 2.752 -2.117 -8.144 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.206 -4.005 -8.148 1.00 0.00 C ATOM 145 CE1 TYR A 12 1.789 -2.854 -7.483 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.248 -4.751 -7.488 1.00 0.00 C ATOM 147 CZ TYR A 12 2.042 -4.170 -7.157 1.00 0.00 C ATOM 148 OH TYR A 12 1.084 -4.908 -6.500 1.00 0.00 O ATOM 0 HA TYR A 12 3.722 -0.267 -9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 12 5.736 -2.546 -9.684 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.588 -1.281 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.550 -1.087 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.150 -4.462 -8.405 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.843 -2.402 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.443 -5.782 -7.233 1.00 0.00 H new ATOM 0 HH TYR A 12 1.419 -5.816 -6.346 1.00 0.00 H new ATOM 158 N PRO A 13 5.872 1.052 -10.189 1.00 0.00 N ATOM 159 CA PRO A 13 5.184 1.446 -8.956 1.00 0.00 C ATOM 160 C PRO A 13 3.741 1.872 -9.209 1.00 0.00 C ATOM 161 O PRO A 13 3.345 2.114 -10.350 1.00 0.00 O ATOM 162 CB PRO A 13 6.010 2.632 -8.452 1.00 0.00 C ATOM 163 CG PRO A 13 6.654 3.192 -9.673 1.00 0.00 C ATOM 164 CD PRO A 13 6.911 2.020 -10.580 1.00 0.00 C ATOM 0 HA PRO A 13 5.118 0.622 -8.245 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.379 3.374 -7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.755 2.314 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.006 3.924 -10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.583 3.704 -9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.826 2.298 -11.630 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.913 1.614 -10.438 1.00 0.00 H new ATOM 172 N LEU A 14 2.960 1.962 -8.138 1.00 0.00 N ATOM 173 CA LEU A 14 1.560 2.359 -8.244 1.00 0.00 C ATOM 174 C LEU A 14 1.123 3.145 -7.012 1.00 0.00 C ATOM 175 O LEU A 14 1.072 2.608 -5.905 1.00 0.00 O ATOM 176 CB LEU A 14 0.671 1.127 -8.419 1.00 0.00 C ATOM 177 CG LEU A 14 0.620 0.531 -9.827 1.00 0.00 C ATOM 178 CD1 LEU A 14 -0.158 -0.775 -9.825 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.000 1.522 -10.802 1.00 0.00 C ATOM 0 H LEU A 14 3.272 1.766 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 14 1.455 3.001 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.015 0.355 -7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.344 1.390 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 14 1.640 0.322 -10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.184 -1.185 -10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.327 -1.487 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.176 -0.591 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.029 1.082 -11.799 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.014 1.762 -10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.598 2.433 -10.824 1.00 0.00 H new ATOM 191 N THR A 15 0.805 4.420 -7.211 1.00 0.00 N ATOM 192 CA THR A 15 0.371 5.280 -6.117 1.00 0.00 C ATOM 193 C THR A 15 -1.054 4.948 -5.690 1.00 0.00 C ATOM 194 O THR A 15 -1.963 4.885 -6.520 1.00 0.00 O ATOM 195 CB THR A 15 0.444 6.768 -6.509 1.00 0.00 C ATOM 196 OG1 THR A 15 1.706 7.051 -7.123 1.00 0.00 O ATOM 197 CG2 THR A 15 0.256 7.658 -5.290 1.00 0.00 C ATOM 0 H THR A 15 0.840 4.880 -8.121 1.00 0.00 H new ATOM 0 HA THR A 15 1.049 5.098 -5.283 1.00 0.00 H new ATOM 0 HB THR A 15 -0.358 6.975 -7.217 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.744 7.998 -7.371 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.311 8.704 -5.591 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.718 7.460 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.040 7.448 -4.562 1.00 0.00 H new ATOM 205 N CYS A 16 -1.244 4.738 -4.392 1.00 0.00 N ATOM 206 CA CYS A 16 -2.560 4.412 -3.855 1.00 0.00 C ATOM 207 C CYS A 16 -2.921 5.341 -2.700 1.00 0.00 C ATOM 208 O CYS A 16 -2.046 5.834 -1.988 1.00 0.00 O ATOM 209 CB CYS A 16 -2.596 2.957 -3.385 1.00 0.00 C ATOM 210 SG CYS A 16 -1.160 2.462 -2.405 1.00 0.00 S ATOM 0 H CYS A 16 -0.503 4.788 -3.692 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.293 4.548 -4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.498 2.800 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.669 2.307 -4.257 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.087 3.000 -2.905 1.00 0.00 H new ATOM 216 N LYS A 17 -4.216 5.578 -2.521 1.00 0.00 N ATOM 217 CA LYS A 17 -4.695 6.448 -1.454 1.00 0.00 C ATOM 218 C LYS A 17 -5.369 5.638 -0.352 1.00 0.00 C ATOM 219 O LYS A 17 -6.385 4.981 -0.583 1.00 0.00 O ATOM 220 CB LYS A 17 -5.674 7.483 -2.012 1.00 0.00 C ATOM 221 CG LYS A 17 -6.361 8.311 -0.940 1.00 0.00 C ATOM 222 CD LYS A 17 -5.507 9.493 -0.516 1.00 0.00 C ATOM 223 CE LYS A 17 -5.785 10.718 -1.374 1.00 0.00 C ATOM 224 NZ LYS A 17 -4.840 11.830 -1.075 1.00 0.00 N ATOM 0 H LYS A 17 -4.953 5.179 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.835 6.964 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.138 8.150 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.432 6.971 -2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.320 8.670 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.572 7.684 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.703 9.728 0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.453 9.227 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.708 10.449 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.808 11.055 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.062 12.646 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.932 12.104 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.866 11.517 -1.260 1.00 0.00 H new ATOM 238 N VAL A 18 -4.798 5.688 0.848 1.00 0.00 N ATOM 239 CA VAL A 18 -5.345 4.961 1.986 1.00 0.00 C ATOM 240 C VAL A 18 -6.709 5.512 2.387 1.00 0.00 C ATOM 241 O VAL A 18 -6.803 6.553 3.037 1.00 0.00 O ATOM 242 CB VAL A 18 -4.400 5.026 3.201 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.061 4.410 4.425 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.084 4.332 2.889 1.00 0.00 C ATOM 0 H VAL A 18 -3.956 6.225 1.056 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.454 3.922 1.675 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.189 6.073 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.379 4.465 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.975 4.956 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.304 3.367 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.428 4.387 3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.273 3.287 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.606 4.823 2.042 1.00 0.00 H new ATOM 254 N VAL A 19 -7.765 4.806 1.994 1.00 0.00 N ATOM 255 CA VAL A 19 -9.125 5.224 2.313 1.00 0.00 C ATOM 256 C VAL A 19 -9.574 4.655 3.654 1.00 0.00 C ATOM 257 O VAL A 19 -10.479 5.189 4.296 1.00 0.00 O ATOM 258 CB VAL A 19 -10.118 4.782 1.222 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.099 5.758 0.056 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.800 3.371 0.752 1.00 0.00 C ATOM 0 H VAL A 19 -7.705 3.942 1.455 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.117 6.313 2.368 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.122 4.781 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.807 5.429 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.379 6.751 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.097 5.794 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.512 3.075 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.790 3.343 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.870 2.683 1.594 1.00 0.00 H new ATOM 270 N TYR A 20 -8.936 3.567 4.073 1.00 0.00 N ATOM 271 CA TYR A 20 -9.271 2.923 5.337 1.00 0.00 C ATOM 272 C TYR A 20 -8.069 2.908 6.276 1.00 0.00 C ATOM 273 O TYR A 20 -6.980 2.471 5.902 1.00 0.00 O ATOM 274 CB TYR A 20 -9.759 1.495 5.093 1.00 0.00 C ATOM 275 CG TYR A 20 -11.221 1.411 4.715 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.745 2.209 3.705 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.078 0.532 5.366 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.080 2.136 3.357 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.414 0.451 5.024 1.00 0.00 C ATOM 280 CZ TYR A 20 -13.910 1.255 4.019 1.00 0.00 C ATOM 281 OH TYR A 20 -15.240 1.178 3.675 1.00 0.00 O ATOM 0 H TYR A 20 -8.184 3.113 3.555 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.070 3.497 5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.161 1.046 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.590 0.904 5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.097 2.898 3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.693 -0.099 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.472 2.765 2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.066 -0.238 5.540 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.685 0.509 4.236 1.00 0.00 H new ATOM 291 N SER A 21 -8.274 3.389 7.498 1.00 0.00 N ATOM 292 CA SER A 21 -7.207 3.434 8.491 1.00 0.00 C ATOM 293 C SER A 21 -6.889 2.035 9.010 1.00 0.00 C ATOM 294 O SER A 21 -7.770 1.182 9.109 1.00 0.00 O ATOM 295 CB SER A 21 -7.604 4.345 9.655 1.00 0.00 C ATOM 296 OG SER A 21 -6.910 3.990 10.839 1.00 0.00 O ATOM 0 H SER A 21 -9.169 3.753 7.824 1.00 0.00 H new ATOM 0 HA SER A 21 -6.314 3.836 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.387 5.382 9.400 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.678 4.276 9.825 1.00 0.00 H new ATOM 0 HG SER A 21 -7.179 4.587 11.568 1.00 0.00 H new ATOM 302 N TYR A 22 -5.622 1.808 9.340 1.00 0.00 N ATOM 303 CA TYR A 22 -5.185 0.513 9.847 1.00 0.00 C ATOM 304 C TYR A 22 -4.026 0.674 10.825 1.00 0.00 C ATOM 305 O TYR A 22 -2.966 1.193 10.473 1.00 0.00 O ATOM 306 CB TYR A 22 -4.767 -0.396 8.690 1.00 0.00 C ATOM 307 CG TYR A 22 -4.405 -1.799 9.122 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.378 -2.785 9.234 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.091 -2.139 9.417 1.00 0.00 C ATOM 310 CE1 TYR A 22 -5.051 -4.068 9.630 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.755 -3.419 9.812 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.739 -4.380 9.917 1.00 0.00 C ATOM 313 OH TYR A 22 -3.410 -5.657 10.310 1.00 0.00 O ATOM 0 H TYR A 22 -4.880 2.504 9.265 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.022 0.057 10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.581 -0.446 7.966 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.913 0.049 8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.406 -2.545 9.008 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.318 -1.389 9.336 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.819 -4.822 9.714 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.728 -3.666 10.037 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.445 -5.711 10.473 1.00 0.00 H new ATOM 323 N LYS A 23 -4.234 0.225 12.058 1.00 0.00 N ATOM 324 CA LYS A 23 -3.208 0.316 13.090 1.00 0.00 C ATOM 325 C LYS A 23 -2.327 -0.929 13.092 1.00 0.00 C ATOM 326 O LYS A 23 -2.777 -2.019 13.442 1.00 0.00 O ATOM 327 CB LYS A 23 -3.854 0.498 14.466 1.00 0.00 C ATOM 328 CG LYS A 23 -2.866 0.421 15.617 1.00 0.00 C ATOM 329 CD LYS A 23 -3.469 0.953 16.906 1.00 0.00 C ATOM 330 CE LYS A 23 -2.755 0.394 18.127 1.00 0.00 C ATOM 331 NZ LYS A 23 -3.242 1.018 19.388 1.00 0.00 N ATOM 0 H LYS A 23 -5.105 -0.206 12.367 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.583 1.182 12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.359 1.463 14.496 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.619 -0.266 14.603 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.553 -0.613 15.760 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.972 0.993 15.369 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.409 2.041 16.915 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.526 0.691 16.950 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.906 -0.685 18.174 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.682 0.562 18.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.731 0.610 20.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.075 2.044 19.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.260 0.836 19.495 1.00 0.00 H new ATOM 345 N ALA A 24 -1.068 -0.757 12.701 1.00 0.00 N ATOM 346 CA ALA A 24 -0.123 -1.866 12.661 1.00 0.00 C ATOM 347 C ALA A 24 0.050 -2.491 14.041 1.00 0.00 C ATOM 348 O ALA A 24 0.344 -1.797 15.014 1.00 0.00 O ATOM 349 CB ALA A 24 1.220 -1.396 12.121 1.00 0.00 C ATOM 0 H ALA A 24 -0.679 0.139 12.408 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.525 -2.628 11.993 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.916 -2.235 12.097 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.089 -1.003 11.113 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.618 -0.613 12.766 1.00 0.00 H new ATOM 355 N SER A 25 -0.137 -3.804 14.119 1.00 0.00 N ATOM 356 CA SER A 25 -0.006 -4.522 15.382 1.00 0.00 C ATOM 357 C SER A 25 1.377 -5.154 15.507 1.00 0.00 C ATOM 358 O SER A 25 1.955 -5.196 16.592 1.00 0.00 O ATOM 359 CB SER A 25 -1.085 -5.601 15.493 1.00 0.00 C ATOM 360 OG SER A 25 -0.775 -6.718 14.678 1.00 0.00 O ATOM 0 H SER A 25 -0.380 -4.393 13.322 1.00 0.00 H new ATOM 0 HA SER A 25 -0.133 -3.806 16.194 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.180 -5.919 16.531 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.049 -5.187 15.197 1.00 0.00 H new ATOM 0 HG SER A 25 -1.479 -7.394 14.768 1.00 0.00 H new ATOM 366 N GLN A 26 1.900 -5.644 14.388 1.00 0.00 N ATOM 367 CA GLN A 26 3.214 -6.275 14.372 1.00 0.00 C ATOM 368 C GLN A 26 4.283 -5.294 13.902 1.00 0.00 C ATOM 369 O GLN A 26 4.014 -4.361 13.145 1.00 0.00 O ATOM 370 CB GLN A 26 3.201 -7.507 13.465 1.00 0.00 C ATOM 371 CG GLN A 26 2.534 -8.719 14.095 1.00 0.00 C ATOM 372 CD GLN A 26 2.930 -10.019 13.421 1.00 0.00 C ATOM 373 OE1 GLN A 26 4.061 -10.484 13.560 1.00 0.00 O ATOM 374 NE2 GLN A 26 1.997 -10.613 12.686 1.00 0.00 N ATOM 0 H GLN A 26 1.434 -5.616 13.481 1.00 0.00 H new ATOM 0 HA GLN A 26 3.453 -6.585 15.389 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.685 -7.260 12.537 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.227 -7.764 13.200 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.798 -8.766 15.151 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.452 -8.602 14.042 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.072 -10.192 12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.205 -11.490 12.209 1.00 0.00 H new ATOM 383 N PRO A 27 5.526 -5.508 14.359 1.00 0.00 N ATOM 384 CA PRO A 27 6.660 -4.653 13.998 1.00 0.00 C ATOM 385 C PRO A 27 7.066 -4.814 12.537 1.00 0.00 C ATOM 386 O PRO A 27 7.976 -4.138 12.058 1.00 0.00 O ATOM 387 CB PRO A 27 7.780 -5.142 14.920 1.00 0.00 C ATOM 388 CG PRO A 27 7.422 -6.552 15.238 1.00 0.00 C ATOM 389 CD PRO A 27 5.919 -6.602 15.264 1.00 0.00 C ATOM 0 HA PRO A 27 6.425 -3.595 14.113 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.751 -5.082 14.429 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.841 -4.536 15.824 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.822 -7.235 14.489 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.839 -6.853 16.199 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.543 -7.565 14.918 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.529 -6.451 16.271 1.00 0.00 H new ATOM 397 N ASP A 28 6.384 -5.712 11.834 1.00 0.00 N ATOM 398 CA ASP A 28 6.672 -5.960 10.426 1.00 0.00 C ATOM 399 C ASP A 28 5.655 -5.258 9.532 1.00 0.00 C ATOM 400 O ASP A 28 5.882 -5.088 8.334 1.00 0.00 O ATOM 401 CB ASP A 28 6.669 -7.462 10.141 1.00 0.00 C ATOM 402 CG ASP A 28 7.207 -8.274 11.303 1.00 0.00 C ATOM 403 OD1 ASP A 28 6.587 -8.242 12.386 1.00 0.00 O ATOM 404 OD2 ASP A 28 8.250 -8.940 11.129 1.00 0.00 O ATOM 0 H ASP A 28 5.628 -6.280 12.216 1.00 0.00 H new ATOM 0 HA ASP A 28 7.661 -5.558 10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.652 -7.784 9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.270 -7.661 9.254 1.00 0.00 H new ATOM 409 N GLU A 29 4.535 -4.852 10.122 1.00 0.00 N ATOM 410 CA GLU A 29 3.483 -4.170 9.377 1.00 0.00 C ATOM 411 C GLU A 29 3.798 -2.685 9.228 1.00 0.00 C ATOM 412 O GLU A 29 4.819 -2.202 9.720 1.00 0.00 O ATOM 413 CB GLU A 29 2.134 -4.350 10.076 1.00 0.00 C ATOM 414 CG GLU A 29 1.389 -5.603 9.648 1.00 0.00 C ATOM 415 CD GLU A 29 1.961 -6.862 10.271 1.00 0.00 C ATOM 416 OE1 GLU A 29 3.203 -6.981 10.334 1.00 0.00 O ATOM 417 OE2 GLU A 29 1.168 -7.729 10.694 1.00 0.00 O ATOM 0 H GLU A 29 4.333 -4.983 11.113 1.00 0.00 H new ATOM 0 HA GLU A 29 3.430 -4.614 8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.294 -4.383 11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.510 -3.479 9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.339 -5.510 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.426 -5.690 8.562 1.00 0.00 H new ATOM 424 N LEU A 30 2.915 -1.964 8.546 1.00 0.00 N ATOM 425 CA LEU A 30 3.097 -0.533 8.331 1.00 0.00 C ATOM 426 C LEU A 30 1.875 0.249 8.802 1.00 0.00 C ATOM 427 O LEU A 30 0.781 0.103 8.254 1.00 0.00 O ATOM 428 CB LEU A 30 3.359 -0.249 6.851 1.00 0.00 C ATOM 429 CG LEU A 30 4.230 0.970 6.546 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.557 2.243 7.036 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.606 0.815 7.178 1.00 0.00 C ATOM 0 H LEU A 30 2.065 -2.347 8.132 1.00 0.00 H new ATOM 0 HA LEU A 30 3.959 -0.210 8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.831 -1.127 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.399 -0.119 6.351 1.00 0.00 H new ATOM 0 HG LEU A 30 4.355 1.042 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.192 3.100 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.596 2.362 6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.401 2.181 8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.212 1.692 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.501 0.717 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.092 -0.075 6.778 1.00 0.00 H new ATOM 443 N THR A 31 2.067 1.081 9.821 1.00 0.00 N ATOM 444 CA THR A 31 0.981 1.886 10.365 1.00 0.00 C ATOM 445 C THR A 31 0.512 2.929 9.358 1.00 0.00 C ATOM 446 O THR A 31 1.271 3.820 8.973 1.00 0.00 O ATOM 447 CB THR A 31 1.406 2.598 11.664 1.00 0.00 C ATOM 448 OG1 THR A 31 1.979 1.654 12.575 1.00 0.00 O ATOM 449 CG2 THR A 31 0.217 3.285 12.318 1.00 0.00 C ATOM 0 H THR A 31 2.965 1.215 10.286 1.00 0.00 H new ATOM 0 HA THR A 31 0.161 1.203 10.585 1.00 0.00 H new ATOM 0 HB THR A 31 2.149 3.355 11.412 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.248 2.115 13.397 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.541 3.781 13.233 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.198 4.024 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.545 2.543 12.558 1.00 0.00 H new ATOM 457 N ILE A 32 -0.742 2.814 8.935 1.00 0.00 N ATOM 458 CA ILE A 32 -1.312 3.749 7.973 1.00 0.00 C ATOM 459 C ILE A 32 -2.548 4.438 8.542 1.00 0.00 C ATOM 460 O ILE A 32 -3.050 4.059 9.599 1.00 0.00 O ATOM 461 CB ILE A 32 -1.692 3.043 6.658 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.769 1.987 6.914 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.463 2.410 6.022 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.201 1.249 5.666 1.00 0.00 C ATOM 0 H ILE A 32 -1.383 2.083 9.243 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.545 4.495 7.767 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.093 3.785 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.394 1.266 7.641 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.639 2.468 7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.748 1.915 5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.276 3.183 5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.035 1.678 6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.966 0.516 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.606 1.959 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.342 0.739 5.229 1.00 0.00 H new ATOM 476 N GLU A 33 -3.033 5.452 7.832 1.00 0.00 N ATOM 477 CA GLU A 33 -4.211 6.194 8.267 1.00 0.00 C ATOM 478 C GLU A 33 -4.942 6.802 7.073 1.00 0.00 C ATOM 479 O GLU A 33 -4.320 7.201 6.089 1.00 0.00 O ATOM 480 CB GLU A 33 -3.813 7.295 9.251 1.00 0.00 C ATOM 481 CG GLU A 33 -3.834 6.850 10.704 1.00 0.00 C ATOM 482 CD GLU A 33 -3.615 7.999 11.669 1.00 0.00 C ATOM 483 OE1 GLU A 33 -4.339 9.011 11.562 1.00 0.00 O ATOM 484 OE2 GLU A 33 -2.720 7.886 12.532 1.00 0.00 O ATOM 0 H GLU A 33 -2.629 5.778 6.954 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.884 5.497 8.767 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.812 7.648 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.489 8.141 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.791 6.376 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.062 6.097 10.861 1.00 0.00 H new ATOM 491 N GLU A 34 -6.266 6.869 7.169 1.00 0.00 N ATOM 492 CA GLU A 34 -7.082 7.428 6.097 1.00 0.00 C ATOM 493 C GLU A 34 -6.467 8.718 5.562 1.00 0.00 C ATOM 494 O GLU A 34 -5.888 9.502 6.314 1.00 0.00 O ATOM 495 CB GLU A 34 -8.504 7.696 6.595 1.00 0.00 C ATOM 496 CG GLU A 34 -9.458 8.140 5.499 1.00 0.00 C ATOM 497 CD GLU A 34 -10.872 8.349 6.006 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.093 9.319 6.761 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.756 7.543 5.649 1.00 0.00 O ATOM 0 H GLU A 34 -6.796 6.544 7.977 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.120 6.700 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.894 6.791 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.471 8.463 7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.093 9.068 5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.467 7.393 4.706 1.00 0.00 H new ATOM 506 N HIS A 35 -6.597 8.931 4.256 1.00 0.00 N ATOM 507 CA HIS A 35 -6.055 10.125 3.619 1.00 0.00 C ATOM 508 C HIS A 35 -4.529 10.087 3.600 1.00 0.00 C ATOM 509 O HIS A 35 -3.872 11.116 3.745 1.00 0.00 O ATOM 510 CB HIS A 35 -6.535 11.381 4.347 1.00 0.00 C ATOM 511 CG HIS A 35 -8.002 11.372 4.652 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.966 11.098 3.704 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.667 11.604 5.807 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.161 11.163 4.264 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.007 11.468 5.540 1.00 0.00 N ATOM 0 H HIS A 35 -7.073 8.292 3.619 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.414 10.151 2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.979 11.486 5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.304 12.255 3.738 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.226 11.850 6.762 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.103 10.995 3.764 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.761 11.584 6.217 1.00 0.00 H new ATOM 524 N GLU A 36 -3.975 8.892 3.422 1.00 0.00 N ATOM 525 CA GLU A 36 -2.527 8.720 3.386 1.00 0.00 C ATOM 526 C GLU A 36 -2.097 7.991 2.116 1.00 0.00 C ATOM 527 O GLU A 36 -2.095 6.761 2.063 1.00 0.00 O ATOM 528 CB GLU A 36 -2.053 7.945 4.617 1.00 0.00 C ATOM 529 CG GLU A 36 -0.575 7.593 4.583 1.00 0.00 C ATOM 530 CD GLU A 36 -0.004 7.337 5.964 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.494 7.953 6.933 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.933 6.519 6.076 1.00 0.00 O ATOM 0 H GLU A 36 -4.506 8.030 3.301 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.069 9.709 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.256 8.537 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.635 7.027 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.431 6.707 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.023 8.405 4.111 1.00 0.00 H new ATOM 539 N VAL A 37 -1.733 8.760 1.095 1.00 0.00 N ATOM 540 CA VAL A 37 -1.300 8.189 -0.175 1.00 0.00 C ATOM 541 C VAL A 37 0.125 7.654 -0.080 1.00 0.00 C ATOM 542 O VAL A 37 1.045 8.375 0.309 1.00 0.00 O ATOM 543 CB VAL A 37 -1.372 9.227 -1.311 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.539 10.452 -0.968 1.00 0.00 C ATOM 545 CG2 VAL A 37 -0.915 8.611 -2.625 1.00 0.00 C ATOM 0 H VAL A 37 -1.729 9.780 1.122 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.979 7.367 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.409 9.543 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.602 11.174 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.918 10.904 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.500 10.157 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.972 9.358 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.114 8.265 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.559 7.768 -2.875 1.00 0.00 H new ATOM 555 N LEU A 38 0.301 6.387 -0.439 1.00 0.00 N ATOM 556 CA LEU A 38 1.615 5.755 -0.395 1.00 0.00 C ATOM 557 C LEU A 38 2.070 5.348 -1.792 1.00 0.00 C ATOM 558 O LEU A 38 1.358 5.559 -2.773 1.00 0.00 O ATOM 559 CB LEU A 38 1.583 4.530 0.521 1.00 0.00 C ATOM 560 CG LEU A 38 0.706 4.647 1.768 1.00 0.00 C ATOM 561 CD1 LEU A 38 0.181 3.281 2.182 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.483 5.289 2.908 1.00 0.00 C ATOM 0 H LEU A 38 -0.449 5.777 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 38 2.326 6.479 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.240 3.675 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.603 4.311 0.838 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.146 5.284 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.441 3.384 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.412 2.858 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.020 2.620 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.843 5.364 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.354 4.678 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.809 6.286 2.610 1.00 0.00 H new ATOM 574 N GLU A 39 3.260 4.760 -1.874 1.00 0.00 N ATOM 575 CA GLU A 39 3.809 4.322 -3.152 1.00 0.00 C ATOM 576 C GLU A 39 4.095 2.823 -3.136 1.00 0.00 C ATOM 577 O GLU A 39 5.031 2.366 -2.480 1.00 0.00 O ATOM 578 CB GLU A 39 5.090 5.094 -3.473 1.00 0.00 C ATOM 579 CG GLU A 39 5.512 4.992 -4.929 1.00 0.00 C ATOM 580 CD GLU A 39 6.704 5.872 -5.254 1.00 0.00 C ATOM 581 OE1 GLU A 39 6.539 7.110 -5.276 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.802 5.323 -5.485 1.00 0.00 O ATOM 0 H GLU A 39 3.862 4.576 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 39 3.068 4.524 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.945 6.144 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.897 4.721 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.756 3.955 -5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.674 5.272 -5.567 1.00 0.00 H new ATOM 589 N VAL A 40 3.281 2.063 -3.862 1.00 0.00 N ATOM 590 CA VAL A 40 3.446 0.616 -3.932 1.00 0.00 C ATOM 591 C VAL A 40 4.611 0.240 -4.841 1.00 0.00 C ATOM 592 O VAL A 40 4.545 0.417 -6.058 1.00 0.00 O ATOM 593 CB VAL A 40 2.166 -0.070 -4.445 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.362 -1.577 -4.521 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.982 0.278 -3.556 1.00 0.00 C ATOM 0 H VAL A 40 2.501 2.425 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 40 3.653 0.271 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 40 1.956 0.296 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.447 -2.045 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.182 -1.803 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.597 -1.964 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.086 -0.215 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.180 -0.058 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.830 1.357 -3.558 1.00 0.00 H new ATOM 605 N ILE A 41 5.677 -0.281 -4.242 1.00 0.00 N ATOM 606 CA ILE A 41 6.856 -0.684 -4.998 1.00 0.00 C ATOM 607 C ILE A 41 6.899 -2.197 -5.184 1.00 0.00 C ATOM 608 O ILE A 41 7.391 -2.694 -6.196 1.00 0.00 O ATOM 609 CB ILE A 41 8.153 -0.227 -4.304 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.239 -0.818 -2.895 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.218 1.292 -4.252 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.462 -0.369 -2.126 1.00 0.00 C ATOM 0 H ILE A 41 5.748 -0.434 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 41 6.786 -0.202 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 41 9.004 -0.588 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.346 -0.538 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.243 -1.906 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.140 1.600 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.198 1.692 -5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.363 1.674 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.458 -0.826 -1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.361 -0.673 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.450 0.716 -2.024 1.00 0.00 H new ATOM 624 N GLU A 42 6.379 -2.924 -4.199 1.00 0.00 N ATOM 625 CA GLU A 42 6.357 -4.381 -4.256 1.00 0.00 C ATOM 626 C GLU A 42 5.000 -4.922 -3.815 1.00 0.00 C ATOM 627 O GLU A 42 4.195 -4.202 -3.224 1.00 0.00 O ATOM 628 CB GLU A 42 7.462 -4.964 -3.373 1.00 0.00 C ATOM 629 CG GLU A 42 8.822 -5.007 -4.049 1.00 0.00 C ATOM 630 CD GLU A 42 8.808 -5.803 -5.340 1.00 0.00 C ATOM 631 OE1 GLU A 42 8.494 -7.011 -5.289 1.00 0.00 O ATOM 632 OE2 GLU A 42 9.110 -5.218 -6.401 1.00 0.00 O ATOM 0 H GLU A 42 5.968 -2.528 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 42 6.530 -4.682 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.537 -4.372 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.182 -5.974 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.152 -3.989 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.550 -5.444 -3.365 1.00 0.00 H new ATOM 639 N ASP A 43 4.754 -6.195 -4.107 1.00 0.00 N ATOM 640 CA ASP A 43 3.495 -6.834 -3.741 1.00 0.00 C ATOM 641 C ASP A 43 3.602 -7.500 -2.373 1.00 0.00 C ATOM 642 O ASP A 43 2.821 -8.391 -2.042 1.00 0.00 O ATOM 643 CB ASP A 43 3.098 -7.868 -4.796 1.00 0.00 C ATOM 644 CG ASP A 43 1.750 -8.499 -4.508 1.00 0.00 C ATOM 645 OD1 ASP A 43 0.736 -7.769 -4.530 1.00 0.00 O ATOM 646 OD2 ASP A 43 1.708 -9.722 -4.263 1.00 0.00 O ATOM 0 H ASP A 43 5.410 -6.804 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 43 2.725 -6.064 -3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.071 -7.391 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.859 -8.647 -4.841 1.00 0.00 H new ATOM 651 N GLY A 44 4.576 -7.061 -1.580 1.00 0.00 N ATOM 652 CA GLY A 44 4.767 -7.626 -0.258 1.00 0.00 C ATOM 653 C GLY A 44 5.098 -9.105 -0.302 1.00 0.00 C ATOM 654 O GLY A 44 5.070 -9.723 -1.366 1.00 0.00 O ATOM 0 H GLY A 44 5.235 -6.324 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.570 -7.092 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.863 -7.477 0.332 1.00 0.00 H new ATOM 714 N TRP A 49 -1.606 -8.957 0.781 1.00 0.00 N ATOM 715 CA TRP A 49 -0.868 -7.805 1.288 1.00 0.00 C ATOM 716 C TRP A 49 0.158 -7.324 0.268 1.00 0.00 C ATOM 717 O TRP A 49 0.536 -8.062 -0.642 1.00 0.00 O ATOM 718 CB TRP A 49 -0.172 -8.157 2.604 1.00 0.00 C ATOM 719 CG TRP A 49 -1.107 -8.695 3.645 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.777 -9.885 3.608 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.476 -8.062 4.875 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.540 -10.029 4.742 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.372 -8.925 5.535 1.00 0.00 C ATOM 724 CE3 TRP A 49 -1.135 -6.852 5.483 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.931 -8.614 6.771 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.690 -6.543 6.711 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.580 -7.422 7.344 1.00 0.00 C ATOM 0 HA TRP A 49 -1.580 -6.999 1.467 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.607 -8.895 2.409 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.322 -7.267 2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.716 -10.606 2.806 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.135 -10.829 4.958 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.450 -6.170 5.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.617 -9.289 7.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.434 -5.610 7.190 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.997 -7.153 8.303 1.00 0.00 H new ATOM 738 N VAL A 50 0.606 -6.083 0.426 1.00 0.00 N ATOM 739 CA VAL A 50 1.591 -5.504 -0.481 1.00 0.00 C ATOM 740 C VAL A 50 2.611 -4.663 0.279 1.00 0.00 C ATOM 741 O VAL A 50 2.494 -4.470 1.490 1.00 0.00 O ATOM 742 CB VAL A 50 0.918 -4.629 -1.555 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.105 -5.488 -2.511 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.045 -3.566 -0.906 1.00 0.00 C ATOM 0 H VAL A 50 0.303 -5.459 1.173 1.00 0.00 H new ATOM 0 HA VAL A 50 2.101 -6.336 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 50 1.696 -4.126 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.363 -4.852 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.761 -6.207 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.666 -6.021 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.423 -2.957 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.728 -4.046 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.659 -2.932 -0.267 1.00 0.00 H new ATOM 754 N LYS A 51 3.611 -4.164 -0.439 1.00 0.00 N ATOM 755 CA LYS A 51 4.652 -3.342 0.165 1.00 0.00 C ATOM 756 C LYS A 51 4.531 -1.891 -0.290 1.00 0.00 C ATOM 757 O LYS A 51 4.512 -1.605 -1.487 1.00 0.00 O ATOM 758 CB LYS A 51 6.035 -3.887 -0.195 1.00 0.00 C ATOM 759 CG LYS A 51 7.091 -3.614 0.862 1.00 0.00 C ATOM 760 CD LYS A 51 8.425 -4.240 0.492 1.00 0.00 C ATOM 761 CE LYS A 51 9.214 -4.644 1.728 1.00 0.00 C ATOM 762 NZ LYS A 51 8.916 -6.043 2.143 1.00 0.00 N ATOM 0 H LYS A 51 3.722 -4.315 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 51 4.526 -3.377 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.962 -4.963 -0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.355 -3.446 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.215 -2.538 0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.757 -4.008 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.256 -5.115 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.008 -3.533 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.281 -4.544 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.979 -3.964 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.640 -6.367 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.981 -6.079 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.918 -6.661 1.307 1.00 0.00 H new ATOM 776 N ALA A 52 4.451 -0.978 0.673 1.00 0.00 N ATOM 777 CA ALA A 52 4.337 0.443 0.371 1.00 0.00 C ATOM 778 C ALA A 52 5.135 1.282 1.363 1.00 0.00 C ATOM 779 O ALA A 52 5.356 0.870 2.502 1.00 0.00 O ATOM 780 CB ALA A 52 2.875 0.867 0.374 1.00 0.00 C ATOM 0 H ALA A 52 4.463 -1.198 1.669 1.00 0.00 H new ATOM 0 HA ALA A 52 4.752 0.612 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.804 1.931 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.330 0.298 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.443 0.676 1.356 1.00 0.00 H new ATOM 786 N ARG A 53 5.566 2.459 0.923 1.00 0.00 N ATOM 787 CA ARG A 53 6.342 3.355 1.773 1.00 0.00 C ATOM 788 C ARG A 53 5.541 4.606 2.119 1.00 0.00 C ATOM 789 O ARG A 53 4.904 5.206 1.255 1.00 0.00 O ATOM 790 CB ARG A 53 7.647 3.748 1.078 1.00 0.00 C ATOM 791 CG ARG A 53 8.661 4.395 2.007 1.00 0.00 C ATOM 792 CD ARG A 53 9.940 4.760 1.269 1.00 0.00 C ATOM 793 NE ARG A 53 11.106 4.735 2.148 1.00 0.00 N ATOM 794 CZ ARG A 53 12.357 4.664 1.707 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.603 4.614 0.405 1.00 0.00 N ATOM 796 NH2 ARG A 53 13.365 4.645 2.570 1.00 0.00 N ATOM 0 H ARG A 53 5.391 2.815 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 53 6.575 2.827 2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.092 2.859 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.422 4.437 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.228 5.291 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.894 3.713 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.093 4.065 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.836 5.754 0.833 1.00 0.00 H new ATOM 0 HE ARG A 53 10.951 4.774 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.831 4.630 -0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.565 4.560 0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.179 4.685 3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.326 4.590 2.231 1.00 0.00 H new ATOM 810 N ASN A 54 5.577 4.993 3.390 1.00 0.00 N ATOM 811 CA ASN A 54 4.853 6.171 3.852 1.00 0.00 C ATOM 812 C ASN A 54 5.738 7.412 3.790 1.00 0.00 C ATOM 813 O ASN A 54 6.883 7.350 3.343 1.00 0.00 O ATOM 814 CB ASN A 54 4.350 5.960 5.281 1.00 0.00 C ATOM 815 CG ASN A 54 5.349 5.209 6.140 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.487 4.979 5.731 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.927 4.824 7.339 1.00 0.00 N ATOM 0 H ASN A 54 6.100 4.507 4.119 1.00 0.00 H new ATOM 0 HA ASN A 54 3.998 6.322 3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.139 6.928 5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.410 5.408 5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.555 4.316 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.975 5.036 7.637 1.00 0.00 H new ATOM 824 N LYS A 55 5.200 8.539 4.244 1.00 0.00 N ATOM 825 CA LYS A 55 5.941 9.795 4.244 1.00 0.00 C ATOM 826 C LYS A 55 7.201 9.684 5.095 1.00 0.00 C ATOM 827 O LYS A 55 8.263 10.180 4.718 1.00 0.00 O ATOM 828 CB LYS A 55 5.058 10.931 4.766 1.00 0.00 C ATOM 829 CG LYS A 55 4.649 10.765 6.219 1.00 0.00 C ATOM 830 CD LYS A 55 5.654 11.411 7.159 1.00 0.00 C ATOM 831 CE LYS A 55 5.445 12.915 7.250 1.00 0.00 C ATOM 832 NZ LYS A 55 4.455 13.275 8.302 1.00 0.00 N ATOM 0 H LYS A 55 4.253 8.608 4.617 1.00 0.00 H new ATOM 0 HA LYS A 55 6.236 10.014 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.591 11.875 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.161 10.995 4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.666 11.210 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.559 9.704 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.562 10.969 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.666 11.204 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.396 13.401 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.104 13.293 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.341 14.308 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.540 12.832 8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.792 12.937 9.226 1.00 0.00 H new ATOM 846 N VAL A 56 7.078 9.029 6.245 1.00 0.00 N ATOM 847 CA VAL A 56 8.208 8.850 7.149 1.00 0.00 C ATOM 848 C VAL A 56 9.329 8.064 6.478 1.00 0.00 C ATOM 849 O VAL A 56 10.474 8.090 6.927 1.00 0.00 O ATOM 850 CB VAL A 56 7.786 8.121 8.438 1.00 0.00 C ATOM 851 CG1 VAL A 56 6.911 9.021 9.298 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.065 6.824 8.105 1.00 0.00 C ATOM 0 H VAL A 56 6.206 8.613 6.573 1.00 0.00 H new ATOM 0 HA VAL A 56 8.569 9.846 7.405 1.00 0.00 H new ATOM 0 HB VAL A 56 8.683 7.875 9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.622 8.489 10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.466 9.920 9.566 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.017 9.299 8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.774 6.322 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.175 7.044 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.728 6.175 7.533 1.00 0.00 H new ATOM 862 N GLY A 57 8.991 7.366 5.398 1.00 0.00 N ATOM 863 CA GLY A 57 9.981 6.583 4.681 1.00 0.00 C ATOM 864 C GLY A 57 10.045 5.148 5.165 1.00 0.00 C ATOM 865 O GLY A 57 11.008 4.435 4.885 1.00 0.00 O ATOM 0 H GLY A 57 8.050 7.329 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.747 6.594 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.961 7.047 4.797 1.00 0.00 H new ATOM 869 N GLN A 58 9.018 4.724 5.895 1.00 0.00 N ATOM 870 CA GLN A 58 8.964 3.365 6.421 1.00 0.00 C ATOM 871 C GLN A 58 8.282 2.426 5.431 1.00 0.00 C ATOM 872 O GLN A 58 7.266 2.773 4.829 1.00 0.00 O ATOM 873 CB GLN A 58 8.221 3.343 7.758 1.00 0.00 C ATOM 874 CG GLN A 58 9.117 3.618 8.955 1.00 0.00 C ATOM 875 CD GLN A 58 8.449 3.280 10.273 1.00 0.00 C ATOM 876 OE1 GLN A 58 8.141 4.165 11.072 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.220 1.993 10.509 1.00 0.00 N ATOM 0 H GLN A 58 8.213 5.302 6.135 1.00 0.00 H new ATOM 0 HA GLN A 58 9.986 3.020 6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.423 4.085 7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.747 2.370 7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.035 3.038 8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.403 4.670 8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.491 1.292 9.820 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.773 1.706 11.380 1.00 0.00 H new ATOM 886 N VAL A 59 8.848 1.234 5.269 1.00 0.00 N ATOM 887 CA VAL A 59 8.295 0.244 4.353 1.00 0.00 C ATOM 888 C VAL A 59 7.884 -1.023 5.096 1.00 0.00 C ATOM 889 O VAL A 59 8.713 -1.690 5.713 1.00 0.00 O ATOM 890 CB VAL A 59 9.304 -0.126 3.250 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.629 -0.948 2.162 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.939 1.127 2.667 1.00 0.00 C ATOM 0 H VAL A 59 9.689 0.931 5.760 1.00 0.00 H new ATOM 0 HA VAL A 59 7.415 0.695 3.894 1.00 0.00 H new ATOM 0 HB VAL A 59 10.094 -0.733 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.358 -1.200 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.227 -1.864 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.818 -0.370 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.649 0.847 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.164 1.762 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.460 1.671 3.455 1.00 0.00 H new ATOM 902 N GLY A 60 6.596 -1.349 5.031 1.00 0.00 N ATOM 903 CA GLY A 60 6.097 -2.535 5.702 1.00 0.00 C ATOM 904 C GLY A 60 5.075 -3.284 4.871 1.00 0.00 C ATOM 905 O GLY A 60 5.106 -3.232 3.641 1.00 0.00 O ATOM 0 H GLY A 60 5.890 -0.813 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.932 -3.198 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.648 -2.249 6.653 1.00 0.00 H new ATOM 909 N TYR A 61 4.168 -3.984 5.542 1.00 0.00 N ATOM 910 CA TYR A 61 3.134 -4.751 4.857 1.00 0.00 C ATOM 911 C TYR A 61 1.743 -4.248 5.232 1.00 0.00 C ATOM 912 O TYR A 61 1.400 -4.157 6.410 1.00 0.00 O ATOM 913 CB TYR A 61 3.260 -6.237 5.199 1.00 0.00 C ATOM 914 CG TYR A 61 4.544 -6.865 4.705 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.041 -6.574 3.441 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.260 -7.749 5.503 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.213 -7.146 2.985 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.433 -8.325 5.056 1.00 0.00 C ATOM 919 CZ TYR A 61 6.906 -8.021 3.796 1.00 0.00 C ATOM 920 OH TYR A 61 8.074 -8.592 3.347 1.00 0.00 O ATOM 0 H TYR A 61 4.127 -4.036 6.560 1.00 0.00 H new ATOM 0 HA TYR A 61 3.271 -4.619 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.198 -6.359 6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.414 -6.773 4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.502 -5.889 2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.893 -7.990 6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.585 -6.909 1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.977 -9.010 5.689 1.00 0.00 H new ATOM 0 HH TYR A 61 8.437 -9.182 4.040 1.00 0.00 H new ATOM 930 N VAL A 62 0.946 -3.922 4.219 1.00 0.00 N ATOM 931 CA VAL A 62 -0.408 -3.430 4.440 1.00 0.00 C ATOM 932 C VAL A 62 -1.397 -4.094 3.488 1.00 0.00 C ATOM 933 O VAL A 62 -1.055 -4.485 2.372 1.00 0.00 O ATOM 934 CB VAL A 62 -0.486 -1.902 4.260 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.123 -1.191 5.459 1.00 0.00 C ATOM 936 CG2 VAL A 62 0.205 -1.482 2.972 1.00 0.00 C ATOM 0 H VAL A 62 1.215 -3.990 3.237 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.672 -3.682 5.467 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.535 -1.614 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.059 -0.113 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.421 -1.469 6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.168 -1.482 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.140 -0.400 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.253 -1.781 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.282 -1.964 2.124 1.00 0.00 H new ATOM 946 N PRO A 63 -2.654 -4.225 3.938 1.00 0.00 N ATOM 947 CA PRO A 63 -3.719 -4.841 3.141 1.00 0.00 C ATOM 948 C PRO A 63 -4.130 -3.976 1.955 1.00 0.00 C ATOM 949 O PRO A 63 -4.629 -2.865 2.129 1.00 0.00 O ATOM 950 CB PRO A 63 -4.876 -4.970 4.135 1.00 0.00 C ATOM 951 CG PRO A 63 -4.626 -3.905 5.147 1.00 0.00 C ATOM 952 CD PRO A 63 -3.132 -3.782 5.258 1.00 0.00 C ATOM 0 HA PRO A 63 -3.405 -5.790 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.838 -4.830 3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.894 -5.958 4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.073 -2.960 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.068 -4.168 6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.828 -2.757 5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.736 -4.406 6.059 1.00 0.00 H new ATOM 960 N GLU A 64 -3.917 -4.494 0.749 1.00 0.00 N ATOM 961 CA GLU A 64 -4.265 -3.766 -0.466 1.00 0.00 C ATOM 962 C GLU A 64 -5.735 -3.356 -0.452 1.00 0.00 C ATOM 963 O GLU A 64 -6.091 -2.263 -0.892 1.00 0.00 O ATOM 964 CB GLU A 64 -3.975 -4.623 -1.700 1.00 0.00 C ATOM 965 CG GLU A 64 -3.614 -3.811 -2.933 1.00 0.00 C ATOM 966 CD GLU A 64 -3.965 -4.524 -4.225 1.00 0.00 C ATOM 967 OE1 GLU A 64 -3.419 -5.622 -4.462 1.00 0.00 O ATOM 968 OE2 GLU A 64 -4.784 -3.984 -4.997 1.00 0.00 O ATOM 0 H GLU A 64 -3.506 -5.413 0.587 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.654 -2.864 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.157 -5.307 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.850 -5.235 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.134 -2.854 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.546 -3.594 -2.921 1.00 0.00 H new ATOM 975 N LYS A 65 -6.585 -4.242 0.056 1.00 0.00 N ATOM 976 CA LYS A 65 -8.017 -3.974 0.129 1.00 0.00 C ATOM 977 C LYS A 65 -8.286 -2.636 0.811 1.00 0.00 C ATOM 978 O LYS A 65 -9.363 -2.059 0.663 1.00 0.00 O ATOM 979 CB LYS A 65 -8.728 -5.097 0.887 1.00 0.00 C ATOM 980 CG LYS A 65 -8.642 -4.961 2.397 1.00 0.00 C ATOM 981 CD LYS A 65 -9.557 -5.951 3.100 1.00 0.00 C ATOM 982 CE LYS A 65 -8.919 -7.328 3.196 1.00 0.00 C ATOM 983 NZ LYS A 65 -9.097 -8.111 1.941 1.00 0.00 N ATOM 0 H LYS A 65 -6.307 -5.152 0.423 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.405 -3.928 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.777 -5.116 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.296 -6.053 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.613 -5.123 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.911 -3.946 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.790 -5.586 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.501 -6.023 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.855 -7.221 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.359 -7.874 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.468 -9.055 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.767 -7.618 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.181 -8.207 1.459 1.00 0.00 H new ATOM 997 N TYR A 66 -7.300 -2.148 1.555 1.00 0.00 N ATOM 998 CA TYR A 66 -7.431 -0.878 2.260 1.00 0.00 C ATOM 999 C TYR A 66 -6.919 0.276 1.404 1.00 0.00 C ATOM 1000 O TYR A 66 -7.389 1.408 1.521 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.667 -0.925 3.584 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.464 -1.519 4.723 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -7.776 -2.873 4.746 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.906 -0.728 5.776 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.504 -3.421 5.784 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.633 -1.267 6.819 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.930 -2.614 6.818 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.656 -3.155 7.855 1.00 0.00 O ATOM 0 H TYR A 66 -6.401 -2.612 1.686 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.489 -0.712 2.465 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.756 -1.507 3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.362 0.086 3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.443 -3.508 3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.677 0.327 5.779 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.738 -4.475 5.786 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.967 -0.638 7.631 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.877 -2.452 8.501 1.00 0.00 H new ATOM 1018 N LEU A 67 -5.952 -0.020 0.542 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.374 0.991 -0.336 1.00 0.00 C ATOM 1020 C LEU A 67 -6.297 1.279 -1.516 1.00 0.00 C ATOM 1021 O LEU A 67 -7.070 0.418 -1.936 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.006 0.533 -0.843 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.030 0.029 0.220 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.823 -0.629 -0.431 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.592 1.171 1.126 1.00 0.00 C ATOM 0 H LEU A 67 -5.552 -0.952 0.433 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.252 1.909 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.159 -0.262 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.539 1.365 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.540 -0.717 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.140 -0.981 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.152 -1.473 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.311 0.095 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.897 0.794 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.100 1.940 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.464 1.598 1.621 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.207 2.494 -2.048 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.033 2.894 -3.181 1.00 0.00 C ATOM 1039 C GLN A 68 -6.195 3.018 -4.449 1.00 0.00 C ATOM 1040 O GLN A 68 -5.673 4.090 -4.758 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.733 4.221 -2.886 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.818 4.574 -3.891 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.255 6.022 -3.793 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -10.315 6.327 -3.246 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -8.439 6.924 -4.325 1.00 0.00 N ATOM 0 H GLN A 68 -5.571 3.218 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.786 2.122 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.173 4.176 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.990 5.018 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.453 4.376 -4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.680 3.927 -3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.570 6.627 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.681 7.914 -4.290 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.068 1.915 -5.180 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.292 1.901 -6.414 1.00 0.00 C ATOM 1056 C PHE A 69 -5.964 2.749 -7.489 1.00 0.00 C ATOM 1057 O PHE A 69 -7.171 2.990 -7.462 1.00 0.00 O ATOM 1058 CB PHE A 69 -5.118 0.466 -6.915 1.00 0.00 C ATOM 1059 CG PHE A 69 -4.044 -0.296 -6.191 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.949 -0.243 -4.810 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -3.129 -1.064 -6.893 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.963 -0.943 -4.141 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -2.140 -1.766 -6.229 1.00 0.00 C ATOM 1064 CZ PHE A 69 -2.056 -1.704 -4.852 1.00 0.00 C ATOM 0 H PHE A 69 -6.493 1.020 -4.939 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.311 2.326 -6.202 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.064 -0.065 -6.808 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.883 0.487 -7.979 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.654 0.353 -4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.189 -1.115 -7.970 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.902 -0.895 -3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.434 -2.363 -6.787 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.282 -2.250 -4.332 1.00 0.00 H new ATOM 1074 N PRO A 70 -5.164 3.214 -8.461 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.659 4.043 -9.564 1.00 0.00 C ATOM 1076 C PRO A 70 -6.539 3.257 -10.530 1.00 0.00 C ATOM 1077 O PRO A 70 -6.998 3.789 -11.541 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.378 4.505 -10.263 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.369 3.458 -9.935 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.716 2.967 -8.557 1.00 0.00 C ATOM 0 HA PRO A 70 -6.286 4.861 -9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.524 4.591 -11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.063 5.485 -9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.402 2.644 -10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.359 3.867 -9.961 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.480 1.910 -8.436 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.164 3.507 -7.787 1.00 0.00 H new