USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 99 GLN : amide:sc= -1.6 K(o=-1.4,f=0.2) USER MOD Set 1.2: A 102 TYR OH : rot -68:sc= 0.223 USER MOD Set 2.1: A 79 ASN : amide:sc= -0.659 K(o=-0.66,f=0.33) USER MOD Set 2.2: A 80 ASN : amide:sc=-0.00181 K(o=-0.66,f=0.33) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 THR OG1 : rot 180:sc= -0.609 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0135 (180deg=-0.159) USER MOD Single : A 31 GLN : amide:sc= -1.7! C(o=-1.7!,f=-1.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0.0649 X(o=0.065,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.343 X(o=-0.34,f=0.015) USER MOD Single : A 52 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 53 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.8) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= 0.999 (180deg=0.84) USER MOD Single : A 61 SER OG : rot 180:sc= -0.269 USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0127 (180deg=-0.169) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.0035) USER MOD Single : A 73 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.56) USER MOD Single : A 74 THR OG1 : rot 125:sc= 1.24 USER MOD Single : A 75 MET CE :methyl -130:sc= -1.11 (180deg=-3.42!) USER MOD Single : A 84 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.6!) USER MOD Single : A 85 THR OG1 : rot 68:sc= 0.073 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 23:sc= -0.694 USER MOD Single : A 95 ASN : amide:sc= -10.2! C(o=-10!,f=-17!) USER MOD Single : A 97 LYS NZ :NH3+ -128:sc=-0.000481 (180deg=-1.52!) USER MOD Single : A 103 SER OG : rot -72:sc= 1.03 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 110 THR OG1 : rot -170:sc= 1.8 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -13.123 -11.681 2.026 1.00 0.00 N ATOM 209 CA VAL A 17 -12.292 -10.521 1.727 1.00 0.00 C ATOM 210 C VAL A 17 -10.859 -10.937 1.414 1.00 0.00 C ATOM 211 O VAL A 17 -10.349 -11.932 1.928 1.00 0.00 O ATOM 212 CB VAL A 17 -12.281 -9.522 2.900 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.655 -8.896 3.082 1.00 0.00 C ATOM 214 CG2 VAL A 17 -11.825 -10.207 4.178 1.00 0.00 C ATOM 0 HA VAL A 17 -12.726 -10.038 0.852 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.574 -8.726 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.627 -8.193 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.938 -8.368 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.386 -9.677 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.823 -9.487 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.506 -11.024 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.818 -10.602 4.040 1.00 0.00 H new ATOM 224 N PRO A 18 -10.192 -10.157 0.551 1.00 0.00 N ATOM 225 CA PRO A 18 -8.807 -10.425 0.151 1.00 0.00 C ATOM 226 C PRO A 18 -7.819 -10.181 1.286 1.00 0.00 C ATOM 227 O PRO A 18 -8.114 -9.456 2.236 1.00 0.00 O ATOM 228 CB PRO A 18 -8.568 -9.429 -0.988 1.00 0.00 C ATOM 229 CG PRO A 18 -9.526 -8.319 -0.727 1.00 0.00 C ATOM 230 CD PRO A 18 -10.737 -8.954 -0.101 1.00 0.00 C ATOM 0 HA PRO A 18 -8.660 -11.466 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.538 -9.071 -0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.749 -9.888 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.088 -7.574 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.789 -7.805 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.214 -8.288 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.489 -9.207 -0.848 1.00 0.00 H new ATOM 238 N SER A 19 -6.643 -10.794 1.182 1.00 0.00 N ATOM 239 CA SER A 19 -5.612 -10.647 2.203 1.00 0.00 C ATOM 240 C SER A 19 -4.845 -9.341 2.016 1.00 0.00 C ATOM 241 O SER A 19 -4.888 -8.730 0.948 1.00 0.00 O ATOM 242 CB SER A 19 -4.643 -11.831 2.154 1.00 0.00 C ATOM 243 OG SER A 19 -3.850 -11.888 3.326 1.00 0.00 O ATOM 0 H SER A 19 -6.381 -11.396 0.402 1.00 0.00 H new ATOM 0 HA SER A 19 -6.101 -10.626 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.203 -12.760 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.999 -11.742 1.279 1.00 0.00 H new ATOM 0 HG SER A 19 -3.240 -12.653 3.272 1.00 0.00 H new ATOM 249 N SER A 20 -4.145 -8.918 3.064 1.00 0.00 N ATOM 250 CA SER A 20 -3.371 -7.682 3.018 1.00 0.00 C ATOM 251 C SER A 20 -2.126 -7.853 2.152 1.00 0.00 C ATOM 252 O SER A 20 -1.489 -8.906 2.138 1.00 0.00 O ATOM 253 CB SER A 20 -2.970 -7.255 4.431 1.00 0.00 C ATOM 254 OG SER A 20 -2.313 -8.308 5.116 1.00 0.00 O ATOM 0 H SER A 20 -4.098 -9.412 3.955 1.00 0.00 H new ATOM 0 HA SER A 20 -3.996 -6.906 2.575 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.314 -6.386 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.857 -6.952 4.988 1.00 0.00 H new ATOM 0 HG SER A 20 -2.066 -8.009 6.016 1.00 0.00 H new ATOM 260 N PRO A 21 -1.770 -6.791 1.414 1.00 0.00 N ATOM 261 CA PRO A 21 -0.599 -6.797 0.534 1.00 0.00 C ATOM 262 C PRO A 21 0.712 -6.819 1.312 1.00 0.00 C ATOM 263 O PRO A 21 0.736 -6.558 2.515 1.00 0.00 O ATOM 264 CB PRO A 21 -0.736 -5.488 -0.247 1.00 0.00 C ATOM 265 CG PRO A 21 -1.538 -4.600 0.639 1.00 0.00 C ATOM 266 CD PRO A 21 -2.483 -5.504 1.383 1.00 0.00 C ATOM 0 HA PRO A 21 -0.568 -7.685 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.239 -5.053 -0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.234 -5.648 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.895 -4.054 1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.084 -3.858 0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.687 -5.133 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.443 -5.589 0.874 1.00 0.00 H new ATOM 274 N TYR A 22 1.802 -7.129 0.618 1.00 0.00 N ATOM 275 CA TYR A 22 3.116 -7.187 1.245 1.00 0.00 C ATOM 276 C TYR A 22 4.173 -6.536 0.357 1.00 0.00 C ATOM 277 O TYR A 22 3.983 -6.396 -0.851 1.00 0.00 O ATOM 278 CB TYR A 22 3.502 -8.638 1.538 1.00 0.00 C ATOM 279 CG TYR A 22 3.561 -9.509 0.303 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.398 -9.988 -0.289 1.00 0.00 C ATOM 281 CD2 TYR A 22 4.778 -9.855 -0.271 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.447 -10.785 -1.415 1.00 0.00 C ATOM 283 CE2 TYR A 22 4.836 -10.650 -1.399 1.00 0.00 C ATOM 284 CZ TYR A 22 3.668 -11.113 -1.967 1.00 0.00 C ATOM 285 OH TYR A 22 3.721 -11.906 -3.090 1.00 0.00 O ATOM 0 H TYR A 22 1.801 -7.344 -0.379 1.00 0.00 H new ATOM 0 HA TYR A 22 3.067 -6.635 2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.474 -8.654 2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.782 -9.063 2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.440 -9.732 0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.695 -9.496 0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.534 -11.150 -1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.791 -10.907 -1.834 1.00 0.00 H new ATOM 0 HH TYR A 22 4.656 -12.041 -3.351 1.00 0.00 H new ATOM 295 N GLY A 23 5.287 -6.142 0.965 1.00 0.00 N ATOM 296 CA GLY A 23 6.359 -5.512 0.215 1.00 0.00 C ATOM 297 C GLY A 23 6.116 -4.033 -0.010 1.00 0.00 C ATOM 298 O GLY A 23 6.693 -3.433 -0.917 1.00 0.00 O ATOM 0 H GLY A 23 5.467 -6.247 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.300 -5.646 0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.466 -6.010 -0.748 1.00 0.00 H new ATOM 302 N VAL A 24 5.259 -3.442 0.817 1.00 0.00 N ATOM 303 CA VAL A 24 4.942 -2.024 0.704 1.00 0.00 C ATOM 304 C VAL A 24 6.164 -1.162 1.003 1.00 0.00 C ATOM 305 O VAL A 24 6.637 -1.107 2.138 1.00 0.00 O ATOM 306 CB VAL A 24 3.801 -1.627 1.659 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.367 -0.191 1.405 1.00 0.00 C ATOM 308 CG2 VAL A 24 2.626 -2.582 1.511 1.00 0.00 C ATOM 0 H VAL A 24 4.772 -3.924 1.573 1.00 0.00 H new ATOM 0 HA VAL A 24 4.622 -1.852 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 24 4.168 -1.694 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.560 0.072 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.212 0.478 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.018 -0.093 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.829 -2.287 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.257 -2.549 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.949 -3.596 1.748 1.00 0.00 H new ATOM 318 N LYS A 25 6.670 -0.487 -0.024 1.00 0.00 N ATOM 319 CA LYS A 25 7.836 0.376 0.128 1.00 0.00 C ATOM 320 C LYS A 25 7.708 1.621 -0.744 1.00 0.00 C ATOM 321 O LYS A 25 7.200 1.556 -1.864 1.00 0.00 O ATOM 322 CB LYS A 25 9.110 -0.387 -0.239 1.00 0.00 C ATOM 323 CG LYS A 25 8.987 -1.202 -1.515 1.00 0.00 C ATOM 324 CD LYS A 25 9.393 -0.392 -2.734 1.00 0.00 C ATOM 325 CE LYS A 25 10.879 -0.533 -3.029 1.00 0.00 C ATOM 326 NZ LYS A 25 11.209 -1.878 -3.576 1.00 0.00 N ATOM 0 H LYS A 25 6.291 -0.521 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 25 7.893 0.688 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.929 0.323 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.374 -1.053 0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.614 -2.091 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.959 -1.546 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.817 -0.721 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.152 0.658 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.182 0.234 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.449 -0.362 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.153 -1.853 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.202 -2.577 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.503 -2.144 -4.292 1.00 0.00 H new ATOM 340 N ILE A 26 8.171 2.752 -0.224 1.00 0.00 N ATOM 341 CA ILE A 26 8.111 4.011 -0.957 1.00 0.00 C ATOM 342 C ILE A 26 9.280 4.140 -1.926 1.00 0.00 C ATOM 343 O ILE A 26 10.405 4.434 -1.522 1.00 0.00 O ATOM 344 CB ILE A 26 8.115 5.219 -0.001 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.111 5.004 1.133 1.00 0.00 C ATOM 346 CG2 ILE A 26 7.797 6.497 -0.763 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.684 4.846 0.654 1.00 0.00 C ATOM 0 H ILE A 26 8.592 2.823 0.702 1.00 0.00 H new ATOM 0 HA ILE A 26 7.177 4.005 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 26 9.109 5.316 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.397 4.116 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.164 5.849 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.803 7.342 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.547 6.655 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.813 6.411 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.027 4.697 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.380 5.743 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.616 3.984 -0.009 1.00 0.00 H new ATOM 359 N ILE A 27 9.006 3.917 -3.208 1.00 0.00 N ATOM 360 CA ILE A 27 10.036 4.011 -4.236 1.00 0.00 C ATOM 361 C ILE A 27 10.380 5.466 -4.537 1.00 0.00 C ATOM 362 O ILE A 27 11.548 5.815 -4.707 1.00 0.00 O ATOM 363 CB ILE A 27 9.595 3.319 -5.539 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.300 3.943 -6.061 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.414 1.825 -5.309 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.831 3.355 -7.373 1.00 0.00 C ATOM 0 H ILE A 27 8.081 3.670 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 27 10.919 3.504 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 27 10.372 3.461 -6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.517 3.813 -5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.448 5.016 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.102 1.349 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.357 1.391 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.653 1.664 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.908 3.845 -7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.596 3.508 -8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.651 2.287 -7.249 1.00 0.00 H new ATOM 378 N GLU A 28 9.355 6.309 -4.602 1.00 0.00 N ATOM 379 CA GLU A 28 9.549 7.727 -4.883 1.00 0.00 C ATOM 380 C GLU A 28 9.022 8.586 -3.738 1.00 0.00 C ATOM 381 O GLU A 28 7.818 8.829 -3.632 1.00 0.00 O ATOM 382 CB GLU A 28 8.850 8.112 -6.188 1.00 0.00 C ATOM 383 CG GLU A 28 9.406 7.401 -7.410 1.00 0.00 C ATOM 384 CD GLU A 28 9.262 8.221 -8.677 1.00 0.00 C ATOM 385 OE1 GLU A 28 9.965 9.246 -8.803 1.00 0.00 O ATOM 386 OE2 GLU A 28 8.449 7.838 -9.544 1.00 0.00 O ATOM 0 H GLU A 28 8.382 6.035 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 28 10.619 7.907 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.787 7.888 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.938 9.189 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.459 7.174 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.891 6.449 -7.537 1.00 0.00 H new ATOM 393 N LEU A 29 9.929 9.043 -2.882 1.00 0.00 N ATOM 394 CA LEU A 29 9.556 9.875 -1.743 1.00 0.00 C ATOM 395 C LEU A 29 9.922 11.335 -1.992 1.00 0.00 C ATOM 396 O LEU A 29 11.065 11.652 -2.320 1.00 0.00 O ATOM 397 CB LEU A 29 10.247 9.374 -0.472 1.00 0.00 C ATOM 398 CG LEU A 29 9.830 10.055 0.831 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.366 9.778 1.134 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.713 9.592 1.981 1.00 0.00 C ATOM 0 H LEU A 29 10.928 8.852 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 29 8.476 9.807 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.057 8.305 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.323 9.497 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 29 9.957 11.131 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.088 10.271 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.748 10.161 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.212 8.703 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.402 10.087 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.619 8.513 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.752 9.844 1.767 1.00 0.00 H new ATOM 412 N SER A 30 8.943 12.220 -1.831 1.00 0.00 N ATOM 413 CA SER A 30 9.161 13.647 -2.040 1.00 0.00 C ATOM 414 C SER A 30 8.864 14.434 -0.768 1.00 0.00 C ATOM 415 O SER A 30 8.527 13.858 0.266 1.00 0.00 O ATOM 416 CB SER A 30 8.283 14.155 -3.186 1.00 0.00 C ATOM 417 OG SER A 30 8.584 13.483 -4.396 1.00 0.00 O ATOM 0 H SER A 30 7.992 11.974 -1.557 1.00 0.00 H new ATOM 0 HA SER A 30 10.209 13.796 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.232 14.007 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.432 15.227 -3.315 1.00 0.00 H new ATOM 0 HG SER A 30 8.008 13.825 -5.112 1.00 0.00 H new ATOM 423 N GLN A 31 8.991 15.754 -0.853 1.00 0.00 N ATOM 424 CA GLN A 31 8.737 16.621 0.292 1.00 0.00 C ATOM 425 C GLN A 31 7.249 16.933 0.417 1.00 0.00 C ATOM 426 O GLN A 31 6.763 17.270 1.499 1.00 0.00 O ATOM 427 CB GLN A 31 9.533 17.920 0.161 1.00 0.00 C ATOM 428 CG GLN A 31 9.443 18.553 -1.218 1.00 0.00 C ATOM 429 CD GLN A 31 10.530 18.068 -2.156 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.254 17.650 -3.282 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.775 18.118 -1.696 1.00 0.00 N ATOM 0 H GLN A 31 9.268 16.247 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 31 9.057 16.096 1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.173 18.633 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.579 17.720 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.468 18.331 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.509 19.637 -1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.958 18.472 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.548 17.803 -2.282 1.00 0.00 H new ATOM 440 N THR A 32 6.529 16.820 -0.694 1.00 0.00 N ATOM 441 CA THR A 32 5.097 17.092 -0.709 1.00 0.00 C ATOM 442 C THR A 32 4.311 15.874 -1.182 1.00 0.00 C ATOM 443 O THR A 32 3.133 15.718 -0.861 1.00 0.00 O ATOM 444 CB THR A 32 4.761 18.291 -1.615 1.00 0.00 C ATOM 445 OG1 THR A 32 5.273 18.065 -2.934 1.00 0.00 O ATOM 446 CG2 THR A 32 5.348 19.576 -1.051 1.00 0.00 C ATOM 0 H THR A 32 6.914 16.542 -1.596 1.00 0.00 H new ATOM 0 HA THR A 32 4.810 17.330 0.315 1.00 0.00 H new ATOM 0 HB THR A 32 3.677 18.394 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.054 18.831 -3.505 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.098 20.409 -1.708 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.936 19.760 -0.059 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.432 19.481 -0.982 1.00 0.00 H new ATOM 454 N THR A 33 4.971 15.012 -1.950 1.00 0.00 N ATOM 455 CA THR A 33 4.334 13.809 -2.470 1.00 0.00 C ATOM 456 C THR A 33 5.028 12.553 -1.955 1.00 0.00 C ATOM 457 O THR A 33 6.111 12.625 -1.374 1.00 0.00 O ATOM 458 CB THR A 33 4.339 13.790 -4.010 1.00 0.00 C ATOM 459 OG1 THR A 33 5.565 14.345 -4.502 1.00 0.00 O ATOM 460 CG2 THR A 33 3.161 14.577 -4.565 1.00 0.00 C ATOM 0 H THR A 33 5.947 15.125 -2.225 1.00 0.00 H new ATOM 0 HA THR A 33 3.302 13.821 -2.118 1.00 0.00 H new ATOM 0 HB THR A 33 4.251 12.755 -4.339 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.562 14.328 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.186 14.549 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.229 14.135 -4.212 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.223 15.611 -4.227 1.00 0.00 H new ATOM 468 N ALA A 34 4.399 11.403 -2.173 1.00 0.00 N ATOM 469 CA ALA A 34 4.959 10.131 -1.733 1.00 0.00 C ATOM 470 C ALA A 34 4.325 8.964 -2.483 1.00 0.00 C ATOM 471 O ALA A 34 3.117 8.739 -2.395 1.00 0.00 O ATOM 472 CB ALA A 34 4.769 9.962 -0.233 1.00 0.00 C ATOM 0 H ALA A 34 3.502 11.326 -2.652 1.00 0.00 H new ATOM 0 HA ALA A 34 6.026 10.135 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.192 9.008 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.274 10.773 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.705 9.983 0.004 1.00 0.00 H new ATOM 478 N LYS A 35 5.146 8.225 -3.220 1.00 0.00 N ATOM 479 CA LYS A 35 4.666 7.080 -3.987 1.00 0.00 C ATOM 480 C LYS A 35 4.916 5.778 -3.232 1.00 0.00 C ATOM 481 O LYS A 35 6.043 5.489 -2.828 1.00 0.00 O ATOM 482 CB LYS A 35 5.353 7.031 -5.353 1.00 0.00 C ATOM 483 CG LYS A 35 4.685 6.085 -6.335 1.00 0.00 C ATOM 484 CD LYS A 35 5.221 6.273 -7.744 1.00 0.00 C ATOM 485 CE LYS A 35 4.431 7.326 -8.505 1.00 0.00 C ATOM 486 NZ LYS A 35 4.767 7.330 -9.957 1.00 0.00 N ATOM 0 H LYS A 35 6.148 8.398 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 35 3.592 7.195 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.367 8.034 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.391 6.728 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.848 5.055 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.608 6.254 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.270 6.566 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.177 5.325 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.364 7.141 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.636 8.310 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.208 8.061 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.780 7.532 -10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.548 6.399 -10.367 1.00 0.00 H new ATOM 500 N VAL A 36 3.859 4.994 -3.047 1.00 0.00 N ATOM 501 CA VAL A 36 3.966 3.721 -2.343 1.00 0.00 C ATOM 502 C VAL A 36 3.739 2.548 -3.292 1.00 0.00 C ATOM 503 O VAL A 36 2.653 2.388 -3.848 1.00 0.00 O ATOM 504 CB VAL A 36 2.953 3.633 -1.186 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.529 3.734 -1.712 1.00 0.00 C ATOM 506 CG2 VAL A 36 3.151 2.345 -0.402 1.00 0.00 C ATOM 0 H VAL A 36 2.919 5.217 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 36 4.976 3.667 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 36 3.125 4.472 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.828 3.670 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.397 4.687 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.340 2.918 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.427 2.299 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.008 1.491 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.160 2.321 0.009 1.00 0.00 H new ATOM 516 N SER A 37 4.772 1.732 -3.472 1.00 0.00 N ATOM 517 CA SER A 37 4.687 0.575 -4.356 1.00 0.00 C ATOM 518 C SER A 37 4.642 -0.720 -3.552 1.00 0.00 C ATOM 519 O SER A 37 5.548 -1.011 -2.770 1.00 0.00 O ATOM 520 CB SER A 37 5.878 0.552 -5.315 1.00 0.00 C ATOM 521 OG SER A 37 5.933 -0.670 -6.030 1.00 0.00 O ATOM 0 H SER A 37 5.678 1.850 -3.018 1.00 0.00 H new ATOM 0 HA SER A 37 3.766 0.656 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.801 1.384 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.803 0.691 -4.755 1.00 0.00 H new ATOM 0 HG SER A 37 6.702 -0.659 -6.637 1.00 0.00 H new ATOM 527 N PHE A 38 3.580 -1.495 -3.749 1.00 0.00 N ATOM 528 CA PHE A 38 3.416 -2.760 -3.043 1.00 0.00 C ATOM 529 C PHE A 38 3.059 -3.883 -4.013 1.00 0.00 C ATOM 530 O PHE A 38 2.819 -3.642 -5.195 1.00 0.00 O ATOM 531 CB PHE A 38 2.330 -2.633 -1.971 1.00 0.00 C ATOM 532 CG PHE A 38 1.129 -1.854 -2.427 1.00 0.00 C ATOM 533 CD1 PHE A 38 1.181 -0.473 -2.534 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.054 -2.503 -2.745 1.00 0.00 C ATOM 535 CE1 PHE A 38 0.077 0.246 -2.953 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.160 -1.788 -3.163 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.095 -0.413 -3.266 1.00 0.00 C ATOM 0 H PHE A 38 2.821 -1.269 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 38 4.364 -3.005 -2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.013 -3.630 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.754 -2.150 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.095 0.047 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.112 -3.578 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.131 1.321 -3.035 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.076 -2.305 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.960 0.146 -3.591 1.00 0.00 H new ATOM 547 N ASN A 39 3.028 -5.110 -3.503 1.00 0.00 N ATOM 548 CA ASN A 39 2.702 -6.270 -4.324 1.00 0.00 C ATOM 549 C ASN A 39 1.370 -6.880 -3.900 1.00 0.00 C ATOM 550 O ASN A 39 1.197 -7.284 -2.750 1.00 0.00 O ATOM 551 CB ASN A 39 3.811 -7.320 -4.224 1.00 0.00 C ATOM 552 CG ASN A 39 5.194 -6.714 -4.363 1.00 0.00 C ATOM 553 OD1 ASN A 39 5.671 -6.474 -5.473 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.847 -6.463 -3.233 1.00 0.00 N ATOM 0 H ASN A 39 3.225 -5.326 -2.526 1.00 0.00 H new ATOM 0 HA ASN A 39 2.617 -5.938 -5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.737 -7.833 -3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.667 -8.072 -5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.782 -6.056 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.414 -6.678 -2.335 1.00 0.00 H new ATOM 561 N LYS A 40 0.430 -6.945 -4.837 1.00 0.00 N ATOM 562 CA LYS A 40 -0.887 -7.507 -4.563 1.00 0.00 C ATOM 563 C LYS A 40 -0.772 -8.783 -3.734 1.00 0.00 C ATOM 564 O LYS A 40 0.229 -9.496 -3.784 1.00 0.00 O ATOM 565 CB LYS A 40 -1.622 -7.801 -5.872 1.00 0.00 C ATOM 566 CG LYS A 40 -0.978 -8.902 -6.697 1.00 0.00 C ATOM 567 CD LYS A 40 -2.001 -9.632 -7.550 1.00 0.00 C ATOM 568 CE LYS A 40 -2.689 -10.742 -6.771 1.00 0.00 C ATOM 569 NZ LYS A 40 -3.160 -11.837 -7.663 1.00 0.00 N ATOM 0 H LYS A 40 0.556 -6.615 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.456 -6.773 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.651 -8.082 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.664 -6.889 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.208 -8.474 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.483 -9.612 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.747 -8.924 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.510 -10.053 -8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.999 -11.148 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.537 -10.330 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.623 -12.574 -7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.838 -11.455 -8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.348 -12.248 -8.167 1.00 0.00 H new ATOM 583 N PRO A 41 -1.823 -9.078 -2.954 1.00 0.00 N ATOM 584 CA PRO A 41 -1.864 -10.270 -2.101 1.00 0.00 C ATOM 585 C PRO A 41 -1.978 -11.558 -2.909 1.00 0.00 C ATOM 586 O PRO A 41 -2.591 -11.580 -3.976 1.00 0.00 O ATOM 587 CB PRO A 41 -3.121 -10.057 -1.254 1.00 0.00 C ATOM 588 CG PRO A 41 -3.987 -9.168 -2.079 1.00 0.00 C ATOM 589 CD PRO A 41 -3.051 -8.273 -2.843 1.00 0.00 C ATOM 0 HA PRO A 41 -0.952 -10.383 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.617 -11.003 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.880 -9.597 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.611 -9.750 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.659 -8.584 -1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.452 -8.015 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.871 -7.336 -2.316 1.00 0.00 H new ATOM 652 N VAL A 47 -13.547 -13.925 -4.950 1.00 0.00 N ATOM 653 CA VAL A 47 -13.739 -12.899 -5.967 1.00 0.00 C ATOM 654 C VAL A 47 -12.455 -12.107 -6.195 1.00 0.00 C ATOM 655 O VAL A 47 -11.673 -11.866 -5.276 1.00 0.00 O ATOM 656 CB VAL A 47 -14.866 -11.925 -5.577 1.00 0.00 C ATOM 657 CG1 VAL A 47 -16.222 -12.603 -5.695 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.648 -11.394 -4.168 1.00 0.00 C ATOM 0 HA VAL A 47 -14.016 -13.413 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.847 -11.081 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.006 -11.899 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.377 -12.930 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.256 -13.467 -5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.454 -10.707 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.639 -12.225 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.694 -10.868 -4.121 1.00 0.00 H new ATOM 668 N PRO A 48 -12.231 -11.693 -7.451 1.00 0.00 N ATOM 669 CA PRO A 48 -11.044 -10.921 -7.830 1.00 0.00 C ATOM 670 C PRO A 48 -11.067 -9.506 -7.262 1.00 0.00 C ATOM 671 O PRO A 48 -12.052 -8.783 -7.413 1.00 0.00 O ATOM 672 CB PRO A 48 -11.118 -10.885 -9.358 1.00 0.00 C ATOM 673 CG PRO A 48 -12.564 -11.052 -9.672 1.00 0.00 C ATOM 674 CD PRO A 48 -13.121 -11.945 -8.597 1.00 0.00 C ATOM 0 HA PRO A 48 -10.127 -11.367 -7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.734 -9.944 -9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.522 -11.682 -9.802 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.075 -10.089 -9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.700 -11.496 -10.658 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.156 -11.696 -8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.104 -12.993 -8.896 1.00 0.00 H new ATOM 682 N ILE A 49 -9.976 -9.117 -6.611 1.00 0.00 N ATOM 683 CA ILE A 49 -9.872 -7.787 -6.022 1.00 0.00 C ATOM 684 C ILE A 49 -10.400 -6.721 -6.975 1.00 0.00 C ATOM 685 O ILE A 49 -10.056 -6.705 -8.158 1.00 0.00 O ATOM 686 CB ILE A 49 -8.416 -7.451 -5.649 1.00 0.00 C ATOM 687 CG1 ILE A 49 -7.907 -8.412 -4.574 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.313 -6.010 -5.170 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.400 -8.547 -4.548 1.00 0.00 C ATOM 0 H ILE A 49 -9.152 -9.703 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.479 -7.793 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.793 -7.566 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.250 -8.067 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.349 -9.395 -4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.278 -5.786 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.641 -5.338 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.946 -5.872 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.111 -9.244 -3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.052 -8.921 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.951 -7.573 -4.353 1.00 0.00 H new ATOM 701 N HIS A 50 -11.238 -5.830 -6.453 1.00 0.00 N ATOM 702 CA HIS A 50 -11.812 -4.758 -7.258 1.00 0.00 C ATOM 703 C HIS A 50 -10.874 -3.556 -7.311 1.00 0.00 C ATOM 704 O HIS A 50 -10.471 -3.117 -8.388 1.00 0.00 O ATOM 705 CB HIS A 50 -13.167 -4.337 -6.690 1.00 0.00 C ATOM 706 CG HIS A 50 -14.079 -3.724 -7.708 1.00 0.00 C ATOM 707 ND1 HIS A 50 -15.307 -4.259 -8.040 1.00 0.00 N ATOM 708 CD2 HIS A 50 -13.938 -2.613 -8.469 1.00 0.00 C ATOM 709 CE1 HIS A 50 -15.879 -3.506 -8.961 1.00 0.00 C ATOM 710 NE2 HIS A 50 -15.068 -2.500 -9.239 1.00 0.00 N ATOM 0 H HIS A 50 -11.534 -5.830 -5.477 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.951 -5.133 -8.272 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.656 -5.209 -6.254 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.007 -3.624 -5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.093 -1.941 -8.470 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.845 -3.682 -9.411 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.252 -1.760 -9.916 1.00 0.00 H new ATOM 719 N HIS A 51 -10.530 -3.028 -6.140 1.00 0.00 N ATOM 720 CA HIS A 51 -9.639 -1.876 -6.053 1.00 0.00 C ATOM 721 C HIS A 51 -8.861 -1.889 -4.740 1.00 0.00 C ATOM 722 O HIS A 51 -8.998 -2.810 -3.935 1.00 0.00 O ATOM 723 CB HIS A 51 -10.437 -0.577 -6.174 1.00 0.00 C ATOM 724 CG HIS A 51 -11.253 -0.260 -4.959 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.566 -0.654 -4.812 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.935 0.415 -3.831 1.00 0.00 C ATOM 727 CE1 HIS A 51 -13.021 -0.233 -3.646 1.00 0.00 C ATOM 728 NE2 HIS A 51 -12.051 0.418 -3.030 1.00 0.00 N ATOM 0 H HIS A 51 -10.854 -3.379 -5.239 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.928 -1.935 -6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.748 0.246 -6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.098 -0.646 -7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.981 0.867 -3.603 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -14.017 -0.394 -3.261 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.119 0.852 -2.110 1.00 0.00 H new ATOM 737 N TYR A 52 -8.045 -0.862 -4.533 1.00 0.00 N ATOM 738 CA TYR A 52 -7.243 -0.757 -3.319 1.00 0.00 C ATOM 739 C TYR A 52 -7.519 0.558 -2.597 1.00 0.00 C ATOM 740 O TYR A 52 -7.846 1.566 -3.223 1.00 0.00 O ATOM 741 CB TYR A 52 -5.755 -0.864 -3.656 1.00 0.00 C ATOM 742 CG TYR A 52 -5.307 -2.272 -3.979 1.00 0.00 C ATOM 743 CD1 TYR A 52 -5.032 -3.183 -2.968 1.00 0.00 C ATOM 744 CD2 TYR A 52 -5.159 -2.690 -5.295 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.623 -4.471 -3.259 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.752 -3.975 -5.596 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.484 -4.862 -4.573 1.00 0.00 C ATOM 748 OH TYR A 52 -4.077 -6.142 -4.868 1.00 0.00 O ATOM 0 H TYR A 52 -7.921 -0.091 -5.189 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.519 -1.579 -2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.536 -0.218 -4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.173 -0.491 -2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.139 -2.880 -1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.366 -1.998 -6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.413 -5.167 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.644 -4.284 -6.625 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.031 -6.255 -5.840 1.00 0.00 H new ATOM 758 N GLN A 53 -7.382 0.540 -1.275 1.00 0.00 N ATOM 759 CA GLN A 53 -7.616 1.730 -0.466 1.00 0.00 C ATOM 760 C GLN A 53 -6.366 2.108 0.320 1.00 0.00 C ATOM 761 O GLN A 53 -5.665 1.244 0.847 1.00 0.00 O ATOM 762 CB GLN A 53 -8.785 1.499 0.493 1.00 0.00 C ATOM 763 CG GLN A 53 -9.478 2.780 0.929 1.00 0.00 C ATOM 764 CD GLN A 53 -10.944 2.571 1.251 1.00 0.00 C ATOM 765 OE1 GLN A 53 -11.643 1.830 0.559 1.00 0.00 O ATOM 766 NE2 GLN A 53 -11.418 3.224 2.305 1.00 0.00 N ATOM 0 H GLN A 53 -7.110 -0.286 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.863 2.552 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.514 0.847 0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.421 0.974 1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.971 3.182 1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.386 3.525 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.802 3.828 2.850 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.398 3.122 2.570 1.00 0.00 H new ATOM 775 N VAL A 54 -6.090 3.407 0.394 1.00 0.00 N ATOM 776 CA VAL A 54 -4.923 3.901 1.117 1.00 0.00 C ATOM 777 C VAL A 54 -5.301 5.039 2.057 1.00 0.00 C ATOM 778 O VAL A 54 -5.923 6.019 1.644 1.00 0.00 O ATOM 779 CB VAL A 54 -3.830 4.390 0.149 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.662 4.985 0.919 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.365 3.252 -0.747 1.00 0.00 C ATOM 0 H VAL A 54 -6.658 4.136 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.534 3.066 1.700 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.252 5.171 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.900 5.325 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.011 5.829 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.237 4.228 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.593 3.615 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.960 2.448 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.209 2.877 -1.326 1.00 0.00 H new ATOM 791 N ASP A 55 -4.921 4.904 3.323 1.00 0.00 N ATOM 792 CA ASP A 55 -5.219 5.923 4.323 1.00 0.00 C ATOM 793 C ASP A 55 -3.934 6.493 4.917 1.00 0.00 C ATOM 794 O ASP A 55 -3.191 5.791 5.605 1.00 0.00 O ATOM 795 CB ASP A 55 -6.092 5.339 5.433 1.00 0.00 C ATOM 796 CG ASP A 55 -7.270 4.553 4.890 1.00 0.00 C ATOM 797 OD1 ASP A 55 -7.229 4.167 3.703 1.00 0.00 O ATOM 798 OD2 ASP A 55 -8.232 4.323 5.652 1.00 0.00 O ATOM 0 H ASP A 55 -4.406 4.099 3.681 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.762 6.731 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.486 4.690 6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.459 6.147 6.066 1.00 0.00 H new ATOM 803 N VAL A 56 -3.677 7.769 4.647 1.00 0.00 N ATOM 804 CA VAL A 56 -2.482 8.432 5.153 1.00 0.00 C ATOM 805 C VAL A 56 -2.846 9.635 6.017 1.00 0.00 C ATOM 806 O VAL A 56 -3.859 10.296 5.785 1.00 0.00 O ATOM 807 CB VAL A 56 -1.568 8.897 4.004 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.190 10.074 3.268 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.188 9.259 4.535 1.00 0.00 C ATOM 0 H VAL A 56 -4.281 8.364 4.080 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.947 7.701 5.759 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.457 8.075 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.529 10.388 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.153 9.776 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.334 10.902 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.445 9.585 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.278 10.064 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.259 8.387 5.012 1.00 0.00 H new ATOM 819 N LYS A 57 -2.014 9.915 7.013 1.00 0.00 N ATOM 820 CA LYS A 57 -2.246 11.039 7.912 1.00 0.00 C ATOM 821 C LYS A 57 -1.024 11.297 8.788 1.00 0.00 C ATOM 822 O LYS A 57 -0.093 10.493 8.821 1.00 0.00 O ATOM 823 CB LYS A 57 -3.469 10.772 8.793 1.00 0.00 C ATOM 824 CG LYS A 57 -3.136 10.083 10.104 1.00 0.00 C ATOM 825 CD LYS A 57 -4.349 10.002 11.015 1.00 0.00 C ATOM 826 CE LYS A 57 -4.150 8.973 12.118 1.00 0.00 C ATOM 827 NZ LYS A 57 -3.190 9.447 13.152 1.00 0.00 N ATOM 0 H LYS A 57 -1.171 9.378 7.219 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.430 11.925 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.966 11.718 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.178 10.157 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.763 9.079 9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.337 10.626 10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.539 10.980 11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.230 9.742 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.109 8.753 12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.786 8.042 11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.504 9.126 14.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.245 9.060 12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.149 10.486 13.137 1.00 0.00 H new ATOM 841 N GLU A 58 -1.035 12.422 9.496 1.00 0.00 N ATOM 842 CA GLU A 58 0.073 12.784 10.371 1.00 0.00 C ATOM 843 C GLU A 58 0.016 11.994 11.676 1.00 0.00 C ATOM 844 O GLU A 58 -1.058 11.779 12.238 1.00 0.00 O ATOM 845 CB GLU A 58 0.047 14.285 10.670 1.00 0.00 C ATOM 846 CG GLU A 58 0.850 15.115 9.682 1.00 0.00 C ATOM 847 CD GLU A 58 0.393 16.560 9.628 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.808 16.811 9.857 1.00 0.00 O ATOM 849 OE2 GLU A 58 1.237 17.439 9.356 1.00 0.00 O ATOM 0 H GLU A 58 -1.799 13.098 9.481 1.00 0.00 H new ATOM 0 HA GLU A 58 1.003 12.539 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.987 14.630 10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.436 14.454 11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.904 15.081 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.765 14.674 8.689 1.00 0.00 H new ATOM 856 N VAL A 59 1.180 11.565 12.152 1.00 0.00 N ATOM 857 CA VAL A 59 1.264 10.799 13.391 1.00 0.00 C ATOM 858 C VAL A 59 0.586 11.536 14.539 1.00 0.00 C ATOM 859 O VAL A 59 0.159 10.924 15.517 1.00 0.00 O ATOM 860 CB VAL A 59 2.728 10.509 13.773 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.544 11.794 13.776 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.798 9.821 15.127 1.00 0.00 C ATOM 0 H VAL A 59 2.078 11.734 11.699 1.00 0.00 H new ATOM 0 HA VAL A 59 0.749 9.855 13.216 1.00 0.00 H new ATOM 0 HB VAL A 59 3.154 9.838 13.027 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.575 11.569 14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.520 12.242 12.783 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.122 12.492 14.499 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.839 9.623 15.381 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.355 10.466 15.886 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.250 8.880 15.086 1.00 0.00 H new ATOM 872 N ALA A 60 0.491 12.856 14.414 1.00 0.00 N ATOM 873 CA ALA A 60 -0.137 13.679 15.441 1.00 0.00 C ATOM 874 C ALA A 60 -1.629 13.847 15.172 1.00 0.00 C ATOM 875 O ALA A 60 -2.445 13.793 16.092 1.00 0.00 O ATOM 876 CB ALA A 60 0.544 15.036 15.521 1.00 0.00 C ATOM 0 H ALA A 60 0.841 13.379 13.611 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.022 13.172 16.399 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.064 15.639 16.292 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.597 14.901 15.769 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.460 15.543 14.560 1.00 0.00 H new ATOM 882 N SER A 61 -1.977 14.053 13.906 1.00 0.00 N ATOM 883 CA SER A 61 -3.371 14.235 13.517 1.00 0.00 C ATOM 884 C SER A 61 -4.141 12.923 13.627 1.00 0.00 C ATOM 885 O SER A 61 -3.548 11.851 13.739 1.00 0.00 O ATOM 886 CB SER A 61 -3.457 14.772 12.087 1.00 0.00 C ATOM 887 OG SER A 61 -4.804 14.868 11.659 1.00 0.00 O ATOM 0 H SER A 61 -1.314 14.098 13.132 1.00 0.00 H new ATOM 0 HA SER A 61 -3.821 14.958 14.197 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.985 15.753 12.034 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.904 14.116 11.415 1.00 0.00 H new ATOM 0 HG SER A 61 -4.832 15.215 10.743 1.00 0.00 H new ATOM 893 N GLU A 62 -5.467 13.017 13.593 1.00 0.00 N ATOM 894 CA GLU A 62 -6.319 11.838 13.690 1.00 0.00 C ATOM 895 C GLU A 62 -7.101 11.624 12.397 1.00 0.00 C ATOM 896 O GLU A 62 -7.484 10.501 12.069 1.00 0.00 O ATOM 897 CB GLU A 62 -7.287 11.976 14.867 1.00 0.00 C ATOM 898 CG GLU A 62 -8.557 12.737 14.526 1.00 0.00 C ATOM 899 CD GLU A 62 -9.168 13.421 15.733 1.00 0.00 C ATOM 900 OE1 GLU A 62 -8.643 14.477 16.147 1.00 0.00 O ATOM 901 OE2 GLU A 62 -10.173 12.903 16.263 1.00 0.00 O ATOM 0 H GLU A 62 -5.974 13.897 13.499 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.679 10.971 13.855 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.555 10.982 15.225 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.779 12.484 15.687 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.335 13.484 13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.284 12.049 14.096 1.00 0.00 H new ATOM 908 N ILE A 63 -7.335 12.710 11.668 1.00 0.00 N ATOM 909 CA ILE A 63 -8.071 12.642 10.412 1.00 0.00 C ATOM 910 C ILE A 63 -7.322 11.805 9.381 1.00 0.00 C ATOM 911 O ILE A 63 -6.217 12.156 8.967 1.00 0.00 O ATOM 912 CB ILE A 63 -8.325 14.046 9.831 1.00 0.00 C ATOM 913 CG1 ILE A 63 -9.164 14.880 10.801 1.00 0.00 C ATOM 914 CG2 ILE A 63 -9.014 13.943 8.479 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.336 15.670 11.791 1.00 0.00 C ATOM 0 H ILE A 63 -7.026 13.647 11.926 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.029 12.171 10.633 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.365 14.544 9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.788 15.568 10.230 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.837 14.219 11.348 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.187 14.943 8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.382 13.383 7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.968 13.429 8.595 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.996 16.237 12.447 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.732 14.986 12.388 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.682 16.356 11.253 1.00 0.00 H new ATOM 927 N TRP A 64 -7.932 10.699 8.969 1.00 0.00 N ATOM 928 CA TRP A 64 -7.323 9.812 7.985 1.00 0.00 C ATOM 929 C TRP A 64 -7.727 10.212 6.570 1.00 0.00 C ATOM 930 O TRP A 64 -8.913 10.336 6.263 1.00 0.00 O ATOM 931 CB TRP A 64 -7.729 8.363 8.254 1.00 0.00 C ATOM 932 CG TRP A 64 -6.999 7.746 9.408 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.368 7.777 10.723 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.773 7.009 9.351 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.446 7.103 11.487 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.458 6.622 10.669 1.00 0.00 C ATOM 937 CE3 TRP A 64 -4.911 6.636 8.316 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.318 5.883 10.976 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.780 5.902 8.622 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.492 5.532 9.943 1.00 0.00 C ATOM 0 H TRP A 64 -8.847 10.396 9.301 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.240 9.900 8.073 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.801 8.324 8.449 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.546 7.770 7.358 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.255 8.260 11.106 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.490 6.981 12.499 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.125 6.916 7.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.094 5.597 11.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.107 5.609 7.830 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.600 4.959 10.150 1.00 0.00 H new ATOM 951 N LYS A 65 -6.733 10.411 5.709 1.00 0.00 N ATOM 952 CA LYS A 65 -6.985 10.795 4.325 1.00 0.00 C ATOM 953 C LYS A 65 -7.048 9.566 3.424 1.00 0.00 C ATOM 954 O LYS A 65 -6.066 8.835 3.285 1.00 0.00 O ATOM 955 CB LYS A 65 -5.893 11.746 3.833 1.00 0.00 C ATOM 956 CG LYS A 65 -6.125 13.195 4.228 1.00 0.00 C ATOM 957 CD LYS A 65 -7.186 13.847 3.357 1.00 0.00 C ATOM 958 CE LYS A 65 -7.518 15.250 3.841 1.00 0.00 C ATOM 959 NZ LYS A 65 -8.221 15.233 5.154 1.00 0.00 N ATOM 0 H LYS A 65 -5.746 10.313 5.946 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.948 11.304 4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.932 11.419 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.828 11.680 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.431 13.244 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.191 13.750 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.836 13.890 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.089 13.236 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.600 15.831 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.143 15.751 3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.637 16.168 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.975 14.517 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.543 15.002 5.908 1.00 0.00 H new ATOM 973 N ILE A 66 -8.206 9.346 2.811 1.00 0.00 N ATOM 974 CA ILE A 66 -8.395 8.208 1.920 1.00 0.00 C ATOM 975 C ILE A 66 -8.102 8.588 0.473 1.00 0.00 C ATOM 976 O ILE A 66 -8.482 9.665 0.013 1.00 0.00 O ATOM 977 CB ILE A 66 -9.828 7.652 2.013 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.179 7.325 3.466 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.975 6.418 1.135 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.397 6.158 4.027 1.00 0.00 C ATOM 0 H ILE A 66 -9.028 9.941 2.915 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.694 7.437 2.240 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.521 8.413 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.996 8.205 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.244 7.104 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.993 6.036 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.763 6.681 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.274 5.651 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.697 5.982 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.599 5.266 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.331 6.384 3.992 1.00 0.00 H new ATOM 992 N VAL A 67 -7.425 7.695 -0.243 1.00 0.00 N ATOM 993 CA VAL A 67 -7.084 7.936 -1.640 1.00 0.00 C ATOM 994 C VAL A 67 -7.239 6.666 -2.470 1.00 0.00 C ATOM 995 O VAL A 67 -6.479 5.711 -2.309 1.00 0.00 O ATOM 996 CB VAL A 67 -5.640 8.457 -1.783 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.291 8.662 -3.250 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.460 9.747 -0.997 1.00 0.00 C ATOM 0 H VAL A 67 -7.102 6.799 0.121 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.775 8.694 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.959 7.711 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.268 9.030 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.380 7.714 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.975 9.389 -3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.435 10.101 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.148 10.503 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.667 9.563 0.057 1.00 0.00 H new ATOM 1008 N ARG A 68 -8.228 6.663 -3.357 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.483 5.510 -4.212 1.00 0.00 C ATOM 1010 C ARG A 68 -7.622 5.566 -5.471 1.00 0.00 C ATOM 1011 O ARG A 68 -7.149 6.632 -5.865 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.963 5.452 -4.597 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.858 4.909 -3.495 1.00 0.00 C ATOM 1014 CD ARG A 68 -11.366 6.020 -2.591 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.323 6.886 -3.274 1.00 0.00 N ATOM 1016 CZ ARG A 68 -13.151 7.712 -2.642 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -13.136 7.784 -1.319 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -13.993 8.467 -3.334 1.00 0.00 N ATOM 0 H ARG A 68 -8.866 7.446 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.223 4.611 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.299 6.453 -4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.075 4.829 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.704 4.384 -3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.305 4.180 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.836 5.584 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.523 6.616 -2.241 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.358 6.855 -4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.489 7.205 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.772 8.418 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.006 8.414 -4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.628 9.100 -2.848 1.00 0.00 H new ATOM 1032 N SER A 69 -7.423 4.409 -6.096 1.00 0.00 N ATOM 1033 CA SER A 69 -6.615 4.325 -7.307 1.00 0.00 C ATOM 1034 C SER A 69 -7.491 4.052 -8.527 1.00 0.00 C ATOM 1035 O SER A 69 -8.640 3.630 -8.397 1.00 0.00 O ATOM 1036 CB SER A 69 -5.560 3.225 -7.167 1.00 0.00 C ATOM 1037 OG SER A 69 -6.096 1.959 -7.509 1.00 0.00 O ATOM 0 H SER A 69 -7.810 3.518 -5.784 1.00 0.00 H new ATOM 0 HA SER A 69 -6.115 5.283 -7.447 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.709 3.449 -7.810 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.188 3.201 -6.143 1.00 0.00 H new ATOM 0 HG SER A 69 -5.402 1.273 -7.413 1.00 0.00 H new ATOM 1043 N HIS A 70 -6.938 4.297 -9.710 1.00 0.00 N ATOM 1044 CA HIS A 70 -7.667 4.078 -10.955 1.00 0.00 C ATOM 1045 C HIS A 70 -7.386 2.686 -11.511 1.00 0.00 C ATOM 1046 O HIS A 70 -6.604 2.529 -12.449 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.288 5.140 -11.987 1.00 0.00 C ATOM 1048 CG HIS A 70 -7.225 6.527 -11.424 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -8.213 7.467 -11.627 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -6.286 7.131 -10.659 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -7.883 8.590 -11.013 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -6.718 8.412 -10.418 1.00 0.00 N ATOM 0 H HIS A 70 -5.988 4.647 -9.833 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.733 4.156 -10.742 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.319 4.887 -12.417 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.013 5.120 -12.800 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.367 6.688 -10.304 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.467 9.498 -11.000 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.220 9.112 -9.869 1.00 0.00 H new ATOM 1061 N GLY A 71 -8.027 1.678 -10.927 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.831 0.314 -11.379 1.00 0.00 C ATOM 1063 C GLY A 71 -7.286 -0.585 -10.287 1.00 0.00 C ATOM 1064 O GLY A 71 -7.138 -0.162 -9.141 1.00 0.00 O ATOM 0 H GLY A 71 -8.678 1.782 -10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.779 -0.087 -11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.144 0.310 -12.225 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.988 -1.831 -10.642 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.457 -2.793 -9.683 1.00 0.00 C ATOM 1070 C VAL A 72 -4.940 -2.685 -9.581 1.00 0.00 C ATOM 1071 O VAL A 72 -4.247 -3.688 -9.407 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.833 -4.235 -10.069 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.338 -4.438 -9.981 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -6.324 -4.564 -11.464 1.00 0.00 C ATOM 0 H VAL A 72 -7.105 -2.198 -11.586 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.901 -2.556 -8.716 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.357 -4.916 -9.363 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.584 -5.463 -10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.672 -4.247 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.838 -3.749 -10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.599 -5.587 -11.720 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.769 -3.878 -12.185 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.239 -4.463 -11.489 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.430 -1.463 -9.687 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.994 -1.225 -9.606 1.00 0.00 C ATOM 1086 C GLN A 73 -2.536 -1.149 -8.152 1.00 0.00 C ATOM 1087 O GLN A 73 -3.323 -0.839 -7.257 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.628 0.069 -10.335 1.00 0.00 C ATOM 1089 CG GLN A 73 -3.265 1.310 -9.731 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.516 2.397 -10.758 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -3.151 3.555 -10.555 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -4.143 2.027 -11.869 1.00 0.00 N ATOM 0 H GLN A 73 -4.990 -0.622 -9.829 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.485 -2.061 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.544 0.187 -10.327 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.932 -0.014 -11.379 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.209 1.036 -9.260 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.618 1.700 -8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.427 1.056 -11.995 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.340 2.714 -12.596 1.00 0.00 H new ATOM 1101 N THR A 74 -1.258 -1.435 -7.925 1.00 0.00 N ATOM 1102 CA THR A 74 -0.695 -1.401 -6.580 1.00 0.00 C ATOM 1103 C THR A 74 0.318 -0.271 -6.437 1.00 0.00 C ATOM 1104 O THR A 74 1.106 -0.249 -5.492 1.00 0.00 O ATOM 1105 CB THR A 74 -0.013 -2.736 -6.223 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.113 -2.955 -7.080 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.990 -3.894 -6.354 1.00 0.00 C ATOM 0 H THR A 74 -0.593 -1.693 -8.654 1.00 0.00 H new ATOM 0 HA THR A 74 -1.524 -1.230 -5.894 1.00 0.00 H new ATOM 0 HB THR A 74 0.324 -2.682 -5.188 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.914 -3.103 -6.536 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.486 -4.826 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.831 -3.738 -5.679 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.353 -3.949 -7.380 1.00 0.00 H new ATOM 1115 N MET A 75 0.291 0.665 -7.380 1.00 0.00 N ATOM 1116 CA MET A 75 1.207 1.799 -7.355 1.00 0.00 C ATOM 1117 C MET A 75 0.444 3.116 -7.458 1.00 0.00 C ATOM 1118 O MET A 75 -0.291 3.346 -8.419 1.00 0.00 O ATOM 1119 CB MET A 75 2.217 1.691 -8.499 1.00 0.00 C ATOM 1120 CG MET A 75 3.510 2.450 -8.243 1.00 0.00 C ATOM 1121 SD MET A 75 4.877 1.854 -9.256 1.00 0.00 S ATOM 1122 CE MET A 75 5.348 3.359 -10.107 1.00 0.00 C ATOM 0 H MET A 75 -0.354 0.661 -8.170 1.00 0.00 H new ATOM 0 HA MET A 75 1.741 1.782 -6.405 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.450 0.640 -8.669 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.759 2.068 -9.414 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.350 3.510 -8.442 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.777 2.360 -7.190 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.416 3.166 -11.178 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.599 4.130 -9.924 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.316 3.698 -9.737 1.00 0.00 H new ATOM 1132 N VAL A 76 0.624 3.979 -6.463 1.00 0.00 N ATOM 1133 CA VAL A 76 -0.047 5.273 -6.442 1.00 0.00 C ATOM 1134 C VAL A 76 0.804 6.322 -5.735 1.00 0.00 C ATOM 1135 O VAL A 76 1.688 5.990 -4.944 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.417 5.184 -5.744 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -2.034 6.567 -5.601 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.345 4.254 -6.510 1.00 0.00 C ATOM 0 H VAL A 76 1.229 3.805 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.195 5.569 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.271 4.773 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.001 6.484 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.375 7.200 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.168 7.009 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.308 4.203 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.487 4.634 -7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.905 3.258 -6.555 1.00 0.00 H new ATOM 1148 N VAL A 77 0.532 7.590 -6.024 1.00 0.00 N ATOM 1149 CA VAL A 77 1.271 8.690 -5.414 1.00 0.00 C ATOM 1150 C VAL A 77 0.361 9.550 -4.546 1.00 0.00 C ATOM 1151 O VAL A 77 -0.809 9.760 -4.871 1.00 0.00 O ATOM 1152 CB VAL A 77 1.935 9.580 -6.483 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.887 10.399 -7.220 1.00 0.00 C ATOM 1154 CG2 VAL A 77 2.981 10.482 -5.847 1.00 0.00 C ATOM 0 H VAL A 77 -0.195 7.882 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 77 2.046 8.244 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 77 2.435 8.939 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.374 11.021 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.179 9.729 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.357 11.034 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.441 11.104 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.507 11.119 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.747 9.871 -5.369 1.00 0.00 H new ATOM 1164 N LEU A 78 0.903 10.046 -3.440 1.00 0.00 N ATOM 1165 CA LEU A 78 0.140 10.885 -2.523 1.00 0.00 C ATOM 1166 C LEU A 78 0.513 12.355 -2.692 1.00 0.00 C ATOM 1167 O LEU A 78 1.645 12.682 -3.043 1.00 0.00 O ATOM 1168 CB LEU A 78 0.383 10.448 -1.078 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.158 9.071 -0.692 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.361 8.657 0.676 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.680 9.073 -0.709 1.00 0.00 C ATOM 0 H LEU A 78 1.869 9.882 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.918 10.768 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.457 10.459 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.063 11.190 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 78 0.193 8.345 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.035 7.675 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.450 8.615 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.040 9.384 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.048 8.085 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.051 9.811 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.032 9.324 -1.709 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.448 13.236 -2.436 1.00 0.00 N ATOM 1184 CA ASN A 79 -0.221 14.672 -2.558 1.00 0.00 C ATOM 1185 C ASN A 79 -0.785 15.417 -1.352 1.00 0.00 C ATOM 1186 O ASN A 79 -1.395 14.816 -0.468 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.857 15.203 -3.843 1.00 0.00 C ATOM 1188 CG ASN A 79 -2.204 14.568 -4.127 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -3.250 15.178 -3.903 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -2.185 13.336 -4.622 1.00 0.00 N ATOM 0 H ASN A 79 -1.391 12.981 -2.143 1.00 0.00 H new ATOM 0 HA ASN A 79 0.855 14.842 -2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.977 16.284 -3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.186 15.016 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.061 12.857 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.295 12.868 -4.792 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.579 16.729 -1.323 1.00 0.00 N ATOM 1198 CA ASN A 80 -1.069 17.558 -0.227 1.00 0.00 C ATOM 1199 C ASN A 80 -0.406 17.162 1.090 1.00 0.00 C ATOM 1200 O ASN A 80 -1.082 16.929 2.092 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.588 17.432 -0.103 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.313 17.946 -1.333 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.092 19.076 -1.769 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -4.184 17.117 -1.897 1.00 0.00 N ATOM 0 H ASN A 80 -0.076 17.242 -2.047 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.815 18.595 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.851 16.387 0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.926 17.986 0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.702 17.408 -2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.335 16.189 -1.501 1.00 0.00 H new ATOM 1211 N LEU A 81 0.921 17.091 1.080 1.00 0.00 N ATOM 1212 CA LEU A 81 1.676 16.725 2.273 1.00 0.00 C ATOM 1213 C LEU A 81 2.702 17.800 2.619 1.00 0.00 C ATOM 1214 O LEU A 81 3.286 18.421 1.732 1.00 0.00 O ATOM 1215 CB LEU A 81 2.378 15.382 2.065 1.00 0.00 C ATOM 1216 CG LEU A 81 1.562 14.302 1.353 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.478 13.224 0.795 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.537 13.697 2.301 1.00 0.00 C ATOM 0 H LEU A 81 1.496 17.282 0.259 1.00 0.00 H new ATOM 0 HA LEU A 81 0.975 16.637 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.290 15.556 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.680 14.998 3.039 1.00 0.00 H new ATOM 0 HG LEU A 81 1.029 14.763 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.881 12.464 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.173 13.670 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.038 12.765 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.035 12.930 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.049 13.250 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.139 14.477 2.652 1.00 0.00 H new ATOM 1230 N GLU A 82 2.916 18.012 3.913 1.00 0.00 N ATOM 1231 CA GLU A 82 3.873 19.011 4.374 1.00 0.00 C ATOM 1232 C GLU A 82 5.282 18.427 4.436 1.00 0.00 C ATOM 1233 O GLU A 82 5.484 17.262 4.779 1.00 0.00 O ATOM 1234 CB GLU A 82 3.468 19.539 5.752 1.00 0.00 C ATOM 1235 CG GLU A 82 2.074 20.142 5.787 1.00 0.00 C ATOM 1236 CD GLU A 82 1.718 20.710 7.146 1.00 0.00 C ATOM 1237 OE1 GLU A 82 2.565 21.412 7.738 1.00 0.00 O ATOM 1238 OE2 GLU A 82 0.590 20.453 7.619 1.00 0.00 O ATOM 0 H GLU A 82 2.440 17.506 4.660 1.00 0.00 H new ATOM 0 HA GLU A 82 3.871 19.835 3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.520 18.724 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.189 20.293 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.005 20.931 5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.345 19.379 5.514 1.00 0.00 H new ATOM 1245 N PRO A 83 6.280 19.255 4.094 1.00 0.00 N ATOM 1246 CA PRO A 83 7.688 18.844 4.102 1.00 0.00 C ATOM 1247 C PRO A 83 8.220 18.626 5.514 1.00 0.00 C ATOM 1248 O PRO A 83 7.679 19.163 6.481 1.00 0.00 O ATOM 1249 CB PRO A 83 8.404 20.021 3.436 1.00 0.00 C ATOM 1250 CG PRO A 83 7.517 21.192 3.680 1.00 0.00 C ATOM 1251 CD PRO A 83 6.113 20.657 3.674 1.00 0.00 C ATOM 0 HA PRO A 83 7.838 17.892 3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.393 20.177 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.545 19.846 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.750 21.666 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.649 21.949 2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.470 21.208 4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.660 20.729 2.685 1.00 0.00 H new ATOM 1259 N ASN A 84 9.283 17.837 5.625 1.00 0.00 N ATOM 1260 CA ASN A 84 9.889 17.549 6.921 1.00 0.00 C ATOM 1261 C ASN A 84 8.835 17.093 7.925 1.00 0.00 C ATOM 1262 O ASN A 84 8.875 17.467 9.098 1.00 0.00 O ATOM 1263 CB ASN A 84 10.616 18.785 7.454 1.00 0.00 C ATOM 1264 CG ASN A 84 11.571 18.452 8.584 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.285 17.598 9.421 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.714 19.129 8.610 1.00 0.00 N ATOM 0 H ASN A 84 9.743 17.386 4.834 1.00 0.00 H new ATOM 0 HA ASN A 84 10.610 16.742 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.169 19.256 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.883 19.512 7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.397 18.949 9.346 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.909 19.829 7.894 1.00 0.00 H new ATOM 1273 N THR A 85 7.891 16.282 7.457 1.00 0.00 N ATOM 1274 CA THR A 85 6.825 15.775 8.312 1.00 0.00 C ATOM 1275 C THR A 85 6.655 14.270 8.145 1.00 0.00 C ATOM 1276 O THR A 85 6.990 13.708 7.102 1.00 0.00 O ATOM 1277 CB THR A 85 5.484 16.469 8.010 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.521 17.827 8.461 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.332 15.737 8.683 1.00 0.00 C ATOM 0 H THR A 85 7.843 15.962 6.490 1.00 0.00 H new ATOM 0 HA THR A 85 7.114 15.993 9.340 1.00 0.00 H new ATOM 0 HB THR A 85 5.326 16.450 6.932 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.160 18.335 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.395 16.246 8.455 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.287 14.712 8.315 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.487 15.728 9.762 1.00 0.00 H new ATOM 1287 N THR A 86 6.133 13.619 9.180 1.00 0.00 N ATOM 1288 CA THR A 86 5.919 12.178 9.148 1.00 0.00 C ATOM 1289 C THR A 86 4.439 11.845 8.994 1.00 0.00 C ATOM 1290 O THR A 86 3.578 12.537 9.538 1.00 0.00 O ATOM 1291 CB THR A 86 6.456 11.502 10.424 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.804 11.917 10.668 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.399 9.987 10.299 1.00 0.00 C ATOM 0 H THR A 86 5.851 14.068 10.051 1.00 0.00 H new ATOM 0 HA THR A 86 6.466 11.796 8.286 1.00 0.00 H new ATOM 0 HB THR A 86 5.827 11.804 11.261 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.137 11.484 11.482 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.783 9.532 11.212 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.367 9.673 10.144 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.006 9.669 9.452 1.00 0.00 H new ATOM 1301 N TYR A 87 4.151 10.782 8.252 1.00 0.00 N ATOM 1302 CA TYR A 87 2.775 10.359 8.026 1.00 0.00 C ATOM 1303 C TYR A 87 2.668 8.836 8.014 1.00 0.00 C ATOM 1304 O TYR A 87 3.566 8.145 7.534 1.00 0.00 O ATOM 1305 CB TYR A 87 2.255 10.927 6.704 1.00 0.00 C ATOM 1306 CG TYR A 87 2.518 12.407 6.537 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.780 12.873 6.192 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.503 13.338 6.722 1.00 0.00 C ATOM 1309 CE1 TYR A 87 4.025 14.224 6.038 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.739 14.691 6.570 1.00 0.00 C ATOM 1311 CZ TYR A 87 3.002 15.129 6.229 1.00 0.00 C ATOM 1312 OH TYR A 87 3.241 16.475 6.075 1.00 0.00 O ATOM 0 H TYR A 87 4.852 10.198 7.797 1.00 0.00 H new ATOM 0 HA TYR A 87 2.165 10.742 8.844 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.720 10.388 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.182 10.747 6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.584 12.167 6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.513 12.998 6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.012 14.570 5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.939 15.402 6.717 1.00 0.00 H new ATOM 0 HH TYR A 87 4.024 16.605 5.499 1.00 0.00 H new ATOM 1322 N GLU A 88 1.562 8.324 8.545 1.00 0.00 N ATOM 1323 CA GLU A 88 1.338 6.883 8.596 1.00 0.00 C ATOM 1324 C GLU A 88 0.382 6.442 7.491 1.00 0.00 C ATOM 1325 O GLU A 88 -0.757 6.904 7.422 1.00 0.00 O ATOM 1326 CB GLU A 88 0.778 6.480 9.962 1.00 0.00 C ATOM 1327 CG GLU A 88 1.614 6.970 11.132 1.00 0.00 C ATOM 1328 CD GLU A 88 1.459 6.101 12.364 1.00 0.00 C ATOM 1329 OE1 GLU A 88 0.358 5.548 12.565 1.00 0.00 O ATOM 1330 OE2 GLU A 88 2.438 5.975 13.128 1.00 0.00 O ATOM 0 H GLU A 88 0.809 8.883 8.945 1.00 0.00 H new ATOM 0 HA GLU A 88 2.296 6.386 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.234 6.872 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.705 5.393 10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.664 6.994 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.327 7.993 11.375 1.00 0.00 H new ATOM 1337 N ILE A 89 0.854 5.546 6.631 1.00 0.00 N ATOM 1338 CA ILE A 89 0.042 5.043 5.531 1.00 0.00 C ATOM 1339 C ILE A 89 -0.167 3.536 5.645 1.00 0.00 C ATOM 1340 O ILE A 89 0.697 2.817 6.146 1.00 0.00 O ATOM 1341 CB ILE A 89 0.684 5.358 4.167 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.151 4.404 3.096 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.199 5.266 4.261 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.534 4.804 1.687 1.00 0.00 C ATOM 0 H ILE A 89 1.795 5.154 6.675 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.922 5.547 5.595 1.00 0.00 H new ATOM 0 HB ILE A 89 0.419 6.377 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.527 3.400 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.936 4.358 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.638 5.491 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.562 5.982 4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.484 4.258 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.123 4.084 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.135 5.795 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.620 4.822 1.596 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.319 3.067 5.177 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.640 1.645 5.227 1.00 0.00 C ATOM 1358 C ARG A 90 -2.340 1.202 3.946 1.00 0.00 C ATOM 1359 O ARG A 90 -3.316 1.816 3.514 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.527 1.344 6.436 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.797 2.178 6.484 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.651 1.823 7.691 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.950 2.490 7.657 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.797 2.502 8.680 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -6.483 1.887 9.811 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.961 3.130 8.572 1.00 0.00 N ATOM 0 H ARG A 90 -2.045 3.650 4.759 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.707 1.089 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.796 0.288 6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.955 1.517 7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.538 3.236 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.372 2.021 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.798 0.744 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.124 2.102 8.603 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.222 2.973 6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.589 1.403 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.135 1.898 10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.206 3.604 7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.611 3.139 9.358 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.833 0.131 3.341 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.410 -0.395 2.109 1.00 0.00 C ATOM 1382 C VAL A 91 -3.308 -1.595 2.392 1.00 0.00 C ATOM 1383 O VAL A 91 -2.933 -2.503 3.133 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.314 -0.813 1.111 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -1.935 -1.314 -0.184 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.368 0.348 0.843 1.00 0.00 C ATOM 0 H VAL A 91 -1.025 -0.388 3.684 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.005 0.406 1.670 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.738 -1.628 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.146 -1.605 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.569 -2.175 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.536 -0.521 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.400 0.035 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.928 1.184 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.102 0.657 1.776 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.497 -1.590 1.797 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.448 -2.679 1.983 1.00 0.00 C ATOM 1398 C ALA A 92 -6.154 -3.019 0.675 1.00 0.00 C ATOM 1399 O ALA A 92 -6.356 -2.153 -0.176 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.463 -2.314 3.055 1.00 0.00 C ATOM 0 H ALA A 92 -4.824 -0.844 1.183 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.896 -3.561 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.167 -3.136 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.947 -2.127 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.004 -1.417 2.754 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.527 -4.285 0.521 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.213 -4.739 -0.682 1.00 0.00 C ATOM 1408 C ALA A 93 -8.722 -4.791 -0.468 1.00 0.00 C ATOM 1409 O ALA A 93 -9.206 -5.448 0.452 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.691 -6.105 -1.103 1.00 0.00 C ATOM 0 H ALA A 93 -6.365 -5.015 1.215 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.010 -4.023 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.212 -6.432 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.622 -6.039 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.864 -6.824 -0.302 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.460 -4.091 -1.325 1.00 0.00 N ATOM 1417 CA VAL A 94 -10.914 -4.058 -1.230 1.00 0.00 C ATOM 1418 C VAL A 94 -11.560 -4.744 -2.428 1.00 0.00 C ATOM 1419 O VAL A 94 -11.147 -4.539 -3.568 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.437 -2.611 -1.137 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -12.954 -2.583 -1.258 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -10.986 -1.964 0.164 1.00 0.00 C ATOM 0 H VAL A 94 -9.074 -3.540 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.184 -4.594 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.019 -2.038 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.305 -1.553 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.250 -3.005 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.394 -3.170 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.364 -0.943 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.373 -2.535 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.897 -1.950 0.205 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.575 -5.558 -2.160 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.278 -6.276 -3.218 1.00 0.00 C ATOM 1434 C ASN A 95 -14.773 -6.353 -2.922 1.00 0.00 C ATOM 1435 O ASN A 95 -15.250 -5.796 -1.934 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.706 -7.685 -3.374 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.217 -8.640 -2.312 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.893 -8.230 -1.369 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.897 -9.919 -2.463 1.00 0.00 N ATOM 0 H ASN A 95 -12.929 -5.737 -1.221 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.137 -5.728 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.964 -8.071 -4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.618 -7.640 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.214 -10.608 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.334 -10.213 -3.261 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.507 -7.048 -3.786 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.940 -7.184 -3.600 1.00 0.00 C ATOM 1448 C GLY A 96 -17.319 -7.381 -2.145 1.00 0.00 C ATOM 1449 O GLY A 96 -18.139 -6.639 -1.604 1.00 0.00 O ATOM 0 H GLY A 96 -15.135 -7.519 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.439 -6.295 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.301 -8.031 -4.184 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.723 -8.385 -1.511 1.00 0.00 N ATOM 1454 CA LYS A 97 -17.003 -8.679 -0.110 1.00 0.00 C ATOM 1455 C LYS A 97 -16.932 -7.412 0.736 1.00 0.00 C ATOM 1456 O LYS A 97 -17.927 -6.994 1.328 1.00 0.00 O ATOM 1457 CB LYS A 97 -16.011 -9.716 0.422 1.00 0.00 C ATOM 1458 CG LYS A 97 -16.435 -11.153 0.164 1.00 0.00 C ATOM 1459 CD LYS A 97 -16.532 -11.446 -1.323 1.00 0.00 C ATOM 1460 CE LYS A 97 -17.927 -11.161 -1.859 1.00 0.00 C ATOM 1461 NZ LYS A 97 -18.273 -12.047 -3.004 1.00 0.00 N ATOM 0 H LYS A 97 -16.043 -9.009 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.013 -9.083 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.038 -9.545 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.886 -9.570 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.718 -11.833 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.400 -11.339 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.803 -10.841 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.277 -12.490 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.657 -11.297 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.989 -10.119 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.599 -11.469 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.433 -12.590 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.029 -12.702 -2.720 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.751 -6.805 0.787 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.574 -5.591 1.562 1.00 0.00 C ATOM 1477 C GLY A 98 -14.127 -5.143 1.616 1.00 0.00 C ATOM 1478 O GLY A 98 -13.407 -5.230 0.622 1.00 0.00 O ATOM 0 H GLY A 98 -14.913 -7.132 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.181 -4.796 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.938 -5.755 2.576 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.701 -4.661 2.780 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.330 -4.196 2.957 1.00 0.00 C ATOM 1484 C GLN A 99 -11.533 -5.168 3.819 1.00 0.00 C ATOM 1485 O GLN A 99 -11.762 -5.280 5.022 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.320 -2.805 3.595 1.00 0.00 C ATOM 1487 CG GLN A 99 -10.928 -2.215 3.745 1.00 0.00 C ATOM 1488 CD GLN A 99 -10.929 -0.699 3.712 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -11.594 -0.050 4.520 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.184 -0.127 2.774 1.00 0.00 N ATOM 0 H GLN A 99 -14.285 -4.583 3.613 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.861 -4.142 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.927 -2.132 2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.789 -2.861 4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.494 -2.554 4.686 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.290 -2.591 2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.649 -0.704 2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.147 0.890 2.702 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.593 -5.872 3.194 1.00 0.00 N ATOM 1500 CA GLY A 100 -9.776 -6.827 3.919 1.00 0.00 C ATOM 1501 C GLY A 100 -8.924 -6.169 4.986 1.00 0.00 C ATOM 1502 O GLY A 100 -8.920 -4.944 5.119 1.00 0.00 O ATOM 0 H GLY A 100 -10.383 -5.797 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.421 -7.574 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.130 -7.355 3.217 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.200 -6.981 5.748 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.340 -6.471 6.810 1.00 0.00 C ATOM 1508 C ASP A 101 -6.294 -5.513 6.247 1.00 0.00 C ATOM 1509 O ASP A 101 -5.745 -5.741 5.169 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.653 -7.626 7.538 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.619 -8.437 8.379 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.207 -9.401 7.844 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.787 -8.109 9.571 1.00 0.00 O ATOM 0 H ASP A 101 -8.191 -7.996 5.650 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.963 -5.926 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.175 -8.279 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.863 -7.231 8.177 1.00 0.00 H new ATOM 1518 N TYR A 102 -6.025 -4.440 6.984 1.00 0.00 N ATOM 1519 CA TYR A 102 -5.048 -3.446 6.558 1.00 0.00 C ATOM 1520 C TYR A 102 -3.625 -3.960 6.754 1.00 0.00 C ATOM 1521 O TYR A 102 -3.328 -4.632 7.741 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.243 -2.143 7.334 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.242 -1.202 6.700 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -5.870 -0.362 5.658 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -7.559 -1.155 7.141 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -6.779 0.499 5.075 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -8.476 -0.297 6.564 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.081 0.527 5.531 1.00 0.00 C ATOM 1529 OH TYR A 102 -8.990 1.383 4.953 1.00 0.00 O ATOM 0 H TYR A 102 -6.470 -4.237 7.879 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.202 -3.255 5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.571 -2.379 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.283 -1.635 7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.852 -0.383 5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.871 -1.800 7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.473 1.147 4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.495 -0.272 6.920 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.753 2.308 5.173 1.00 0.00 H new ATOM 1539 N SER A 103 -2.751 -3.639 5.806 1.00 0.00 N ATOM 1540 CA SER A 103 -1.360 -4.071 5.873 1.00 0.00 C ATOM 1541 C SER A 103 -0.617 -3.343 6.988 1.00 0.00 C ATOM 1542 O SER A 103 -1.012 -2.254 7.407 1.00 0.00 O ATOM 1543 CB SER A 103 -0.662 -3.821 4.533 1.00 0.00 C ATOM 1544 OG SER A 103 -0.630 -2.439 4.225 1.00 0.00 O ATOM 0 H SER A 103 -2.981 -3.082 4.983 1.00 0.00 H new ATOM 0 HA SER A 103 -1.348 -5.139 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.355 -4.212 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.182 -4.361 3.742 1.00 0.00 H new ATOM 0 HG SER A 103 -1.529 -2.139 3.975 1.00 0.00 H new ATOM 1550 N LYS A 104 0.462 -3.951 7.468 1.00 0.00 N ATOM 1551 CA LYS A 104 1.263 -3.363 8.535 1.00 0.00 C ATOM 1552 C LYS A 104 1.377 -1.852 8.360 1.00 0.00 C ATOM 1553 O LYS A 104 1.766 -1.368 7.296 1.00 0.00 O ATOM 1554 CB LYS A 104 2.659 -3.991 8.559 1.00 0.00 C ATOM 1555 CG LYS A 104 2.756 -5.224 9.439 1.00 0.00 C ATOM 1556 CD LYS A 104 4.155 -5.818 9.415 1.00 0.00 C ATOM 1557 CE LYS A 104 5.032 -5.220 10.504 1.00 0.00 C ATOM 1558 NZ LYS A 104 6.467 -5.570 10.314 1.00 0.00 N ATOM 0 H LYS A 104 0.803 -4.853 7.134 1.00 0.00 H new ATOM 0 HA LYS A 104 0.764 -3.565 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.946 -4.258 7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.376 -3.248 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.488 -4.963 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.037 -5.970 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.095 -6.898 9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.610 -5.640 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.920 -4.136 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.697 -5.577 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.032 -5.144 11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.578 -6.604 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.794 -5.207 9.396 1.00 0.00 H new ATOM 1572 N ILE A 105 1.036 -1.112 9.410 1.00 0.00 N ATOM 1573 CA ILE A 105 1.103 0.343 9.371 1.00 0.00 C ATOM 1574 C ILE A 105 2.478 0.820 8.918 1.00 0.00 C ATOM 1575 O ILE A 105 3.495 0.469 9.516 1.00 0.00 O ATOM 1576 CB ILE A 105 0.787 0.958 10.748 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.660 0.662 11.144 1.00 0.00 C ATOM 1578 CG2 ILE A 105 1.042 2.458 10.730 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.680 1.312 10.235 1.00 0.00 C ATOM 0 H ILE A 105 0.711 -1.496 10.297 1.00 0.00 H new ATOM 0 HA ILE A 105 0.353 0.673 8.653 1.00 0.00 H new ATOM 0 HB ILE A 105 1.446 0.507 11.490 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.816 -0.417 11.139 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.826 1.004 12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.814 2.878 11.710 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.088 2.646 10.489 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.407 2.926 9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.684 1.059 10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.551 2.394 10.258 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.541 0.952 9.216 1.00 0.00 H new ATOM 1591 N GLU A 106 2.502 1.621 7.857 1.00 0.00 N ATOM 1592 CA GLU A 106 3.754 2.145 7.324 1.00 0.00 C ATOM 1593 C GLU A 106 3.950 3.603 7.731 1.00 0.00 C ATOM 1594 O GLU A 106 2.997 4.384 7.758 1.00 0.00 O ATOM 1595 CB GLU A 106 3.776 2.022 5.800 1.00 0.00 C ATOM 1596 CG GLU A 106 3.864 0.588 5.307 1.00 0.00 C ATOM 1597 CD GLU A 106 5.267 0.022 5.403 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.231 0.814 5.338 1.00 0.00 O ATOM 1599 OE2 GLU A 106 5.402 -1.211 5.543 1.00 0.00 O ATOM 0 H GLU A 106 1.669 1.921 7.350 1.00 0.00 H new ATOM 0 HA GLU A 106 4.572 1.556 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.875 2.482 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.625 2.584 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.185 -0.035 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.528 0.543 4.271 1.00 0.00 H new ATOM 1606 N ILE A 107 5.189 3.962 8.046 1.00 0.00 N ATOM 1607 CA ILE A 107 5.510 5.325 8.450 1.00 0.00 C ATOM 1608 C ILE A 107 6.606 5.917 7.569 1.00 0.00 C ATOM 1609 O ILE A 107 7.749 5.461 7.593 1.00 0.00 O ATOM 1610 CB ILE A 107 5.961 5.386 9.922 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.906 4.747 10.827 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.222 6.825 10.337 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.423 4.400 12.206 1.00 0.00 C ATOM 0 H ILE A 107 5.988 3.328 8.029 1.00 0.00 H new ATOM 0 HA ILE A 107 4.598 5.910 8.334 1.00 0.00 H new ATOM 0 HB ILE A 107 6.890 4.825 10.026 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.062 5.429 10.925 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.530 3.842 10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.540 6.851 11.379 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.005 7.249 9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.309 7.408 10.221 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.622 3.951 12.793 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.248 3.693 12.118 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.772 5.306 12.702 1.00 0.00 H new ATOM 1625 N PHE A 108 6.249 6.934 6.794 1.00 0.00 N ATOM 1626 CA PHE A 108 7.202 7.589 5.905 1.00 0.00 C ATOM 1627 C PHE A 108 7.305 9.079 6.221 1.00 0.00 C ATOM 1628 O PHE A 108 6.298 9.741 6.471 1.00 0.00 O ATOM 1629 CB PHE A 108 6.789 7.393 4.445 1.00 0.00 C ATOM 1630 CG PHE A 108 5.545 8.145 4.068 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.548 9.530 4.008 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.373 7.468 3.773 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.405 10.225 3.661 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.227 8.159 3.424 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.243 9.538 3.370 1.00 0.00 C ATOM 0 H PHE A 108 5.307 7.323 6.763 1.00 0.00 H new ATOM 0 HA PHE A 108 8.180 7.133 6.062 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.607 7.712 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.632 6.330 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.454 10.072 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.354 6.389 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.421 11.304 3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.320 7.620 3.194 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.348 10.079 3.101 1.00 0.00 H new ATOM 1645 N GLN A 109 8.528 9.597 6.208 1.00 0.00 N ATOM 1646 CA GLN A 109 8.763 11.008 6.493 1.00 0.00 C ATOM 1647 C GLN A 109 9.188 11.756 5.233 1.00 0.00 C ATOM 1648 O GLN A 109 10.227 11.459 4.643 1.00 0.00 O ATOM 1649 CB GLN A 109 9.833 11.160 7.576 1.00 0.00 C ATOM 1650 CG GLN A 109 10.236 12.602 7.835 1.00 0.00 C ATOM 1651 CD GLN A 109 11.538 12.717 8.601 1.00 0.00 C ATOM 1652 OE1 GLN A 109 11.833 11.897 9.472 1.00 0.00 O ATOM 1653 NE2 GLN A 109 12.328 13.735 8.280 1.00 0.00 N ATOM 0 H GLN A 109 9.372 9.062 6.003 1.00 0.00 H new ATOM 0 HA GLN A 109 7.829 11.440 6.851 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.464 10.723 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.716 10.591 7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.332 13.125 6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.445 13.101 8.394 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.044 14.391 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.218 13.861 8.761 1.00 0.00 H new ATOM 1662 N THR A 110 8.376 12.726 4.825 1.00 0.00 N ATOM 1663 CA THR A 110 8.666 13.515 3.635 1.00 0.00 C ATOM 1664 C THR A 110 10.057 14.135 3.712 1.00 0.00 C ATOM 1665 O THR A 110 10.589 14.358 4.800 1.00 0.00 O ATOM 1666 CB THR A 110 7.627 14.635 3.436 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.511 15.413 4.632 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.269 14.055 3.068 1.00 0.00 C ATOM 0 H THR A 110 7.512 12.984 5.302 1.00 0.00 H new ATOM 0 HA THR A 110 8.621 12.834 2.785 1.00 0.00 H new ATOM 0 HB THR A 110 7.965 15.273 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.743 16.017 4.556 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.552 14.865 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.355 13.488 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.926 13.397 3.866 1.00 0.00 H new ATOM 1676 N LEU A 111 10.640 14.413 2.551 1.00 0.00 N ATOM 1677 CA LEU A 111 11.970 15.009 2.487 1.00 0.00 C ATOM 1678 C LEU A 111 11.924 16.485 2.866 1.00 0.00 C ATOM 1679 O LEU A 111 10.985 17.208 2.533 1.00 0.00 O ATOM 1680 CB LEU A 111 12.555 14.849 1.082 1.00 0.00 C ATOM 1681 CG LEU A 111 12.782 13.413 0.609 1.00 0.00 C ATOM 1682 CD1 LEU A 111 13.186 13.392 -0.858 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.837 12.729 1.464 1.00 0.00 C ATOM 0 H LEU A 111 10.213 14.235 1.642 1.00 0.00 H new ATOM 0 HA LEU A 111 12.609 14.490 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.889 15.342 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.508 15.378 1.044 1.00 0.00 H new ATOM 0 HG LEU A 111 11.846 12.864 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.343 12.362 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.396 13.842 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.108 13.958 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.985 11.708 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.776 13.277 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.508 12.711 2.503 1.00 0.00 H new ATOM 1695 N PRO A 112 12.963 16.946 3.579 1.00 0.00 N ATOM 1696 CA PRO A 112 13.066 18.341 4.017 1.00 0.00 C ATOM 1697 C PRO A 112 13.313 19.296 2.855 1.00 0.00 C ATOM 1698 O PRO A 112 14.330 19.203 2.166 1.00 0.00 O ATOM 1699 CB PRO A 112 14.269 18.328 4.963 1.00 0.00 C ATOM 1700 CG PRO A 112 15.091 17.169 4.515 1.00 0.00 C ATOM 1701 CD PRO A 112 14.117 16.140 4.012 1.00 0.00 C ATOM 0 HA PRO A 112 12.145 18.691 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.831 19.260 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.955 18.213 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.787 17.464 3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.687 16.773 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.534 15.561 3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.842 15.431 4.793 1.00 0.00 H new ATOM 1709 N VAL A 113 12.378 20.217 2.642 1.00 0.00 N ATOM 1710 CA VAL A 113 12.495 21.191 1.563 1.00 0.00 C ATOM 1711 C VAL A 113 13.950 21.586 1.336 1.00 0.00 C ATOM 1712 O VAL A 113 14.667 21.923 2.278 1.00 0.00 O ATOM 1713 CB VAL A 113 11.670 22.458 1.859 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.816 23.466 0.729 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.209 22.101 2.081 1.00 0.00 C ATOM 0 H VAL A 113 11.531 20.309 3.203 1.00 0.00 H new ATOM 0 HA VAL A 113 12.106 20.716 0.663 1.00 0.00 H new ATOM 0 HB VAL A 113 12.051 22.915 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.226 24.354 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.865 23.744 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.462 23.023 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.640 23.007 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.812 21.621 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.126 21.419 2.927 1.00 0.00 H new