USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot 106:sc= 0.169 USER MOD Set 1.2: A 101 SER OG : rot 88:sc= -0.0377 USER MOD Single : A 15 LYS NZ :NH3+ 165:sc=-0.00524 (180deg=-0.119) USER MOD Single : A 17 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.3!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00518 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.104) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.347 F(o=-1.6,f=-0.35) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.015 F(o=-0.68,f=-0.015) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0247) USER MOD Single : A 50 CYS SG : rot -112:sc= 0.46 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0712 USER MOD Single : A 54 TYR OH : rot 150:sc= -0.918 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00504 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0546 K(o=-0.055,f=-1.1) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.107! K(o=-0.11!,f=-1.1) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -2.8 K(o=-2.8,f=-3.5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -2.69 F(o=-3.7!,f=-2.7) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.5 USER MOD Single : A 98 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 104 SER OG : rot 180:sc= -0.111 USER MOD Single : A 108 GLN : amide:sc= -0.501 K(o=-0.5,f=-2.5!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -170:sc= -0.696 (180deg=-0.759) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.752 4.494 -6.536 1.00 0.00 N ATOM 177 CA LYS A 15 -12.467 3.275 -6.180 1.00 0.00 C ATOM 178 C LYS A 15 -12.043 2.114 -7.074 1.00 0.00 C ATOM 179 O LYS A 15 -11.340 2.307 -8.066 1.00 0.00 O ATOM 180 CB LYS A 15 -13.978 3.494 -6.293 1.00 0.00 C ATOM 181 CG LYS A 15 -14.506 4.577 -5.368 1.00 0.00 C ATOM 182 CD LYS A 15 -15.969 4.352 -5.026 1.00 0.00 C ATOM 183 CE LYS A 15 -16.653 5.649 -4.622 1.00 0.00 C ATOM 184 NZ LYS A 15 -16.887 6.540 -5.792 1.00 0.00 N ATOM 0 HA LYS A 15 -12.218 3.026 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.223 3.756 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.490 2.557 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.916 4.594 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.388 5.551 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.483 3.921 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.047 3.630 -4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.605 5.423 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.040 6.169 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.567 7.283 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.989 6.978 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.268 5.982 -6.582 1.00 0.00 H new ATOM 198 N ARG A 16 -12.475 0.909 -6.716 1.00 0.00 N ATOM 199 CA ARG A 16 -12.139 -0.282 -7.486 1.00 0.00 C ATOM 200 C ARG A 16 -13.348 -0.779 -8.273 1.00 0.00 C ATOM 201 O ARG A 16 -14.464 -0.817 -7.757 1.00 0.00 O ATOM 202 CB ARG A 16 -11.631 -1.388 -6.560 1.00 0.00 C ATOM 203 CG ARG A 16 -11.424 -2.722 -7.259 1.00 0.00 C ATOM 204 CD ARG A 16 -10.585 -3.669 -6.416 1.00 0.00 C ATOM 205 NE ARG A 16 -10.577 -5.024 -6.960 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.638 -5.823 -6.957 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.786 -5.405 -6.443 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.551 -7.044 -7.471 1.00 0.00 N ATOM 0 H ARG A 16 -13.058 0.732 -5.898 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.351 -0.018 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.688 -1.072 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.341 -1.522 -5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.392 -3.179 -7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.935 -2.559 -8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.563 -3.295 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.974 -3.689 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.709 -5.376 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.857 -4.467 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.599 -6.021 -6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.669 -7.369 -7.868 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.366 -7.658 -7.469 1.00 0.00 H new ATOM 222 N ASN A 17 -13.118 -1.158 -9.526 1.00 0.00 N ATOM 223 CA ASN A 17 -14.188 -1.652 -10.385 1.00 0.00 C ATOM 224 C ASN A 17 -14.566 -3.083 -10.015 1.00 0.00 C ATOM 225 O ASN A 17 -13.765 -3.842 -9.469 1.00 0.00 O ATOM 226 CB ASN A 17 -13.763 -1.589 -11.853 1.00 0.00 C ATOM 227 CG ASN A 17 -14.006 -0.224 -12.467 1.00 0.00 C ATOM 228 OD1 ASN A 17 -14.961 0.468 -12.112 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.141 0.171 -13.394 1.00 0.00 N ATOM 0 H ASN A 17 -12.200 -1.132 -9.969 1.00 0.00 H new ATOM 0 HA ASN A 17 -15.060 -1.015 -10.239 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.705 -1.837 -11.933 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.311 -2.342 -12.420 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.254 1.080 -13.842 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.364 -0.435 -13.658 1.00 0.00 H new ATOM 236 N PRO A 18 -15.817 -3.462 -10.319 1.00 0.00 N ATOM 237 CA PRO A 18 -16.330 -4.804 -10.028 1.00 0.00 C ATOM 238 C PRO A 18 -15.688 -5.873 -10.906 1.00 0.00 C ATOM 239 O PRO A 18 -15.487 -7.007 -10.474 1.00 0.00 O ATOM 240 CB PRO A 18 -17.825 -4.686 -10.336 1.00 0.00 C ATOM 241 CG PRO A 18 -17.922 -3.576 -11.324 1.00 0.00 C ATOM 242 CD PRO A 18 -16.825 -2.609 -10.970 1.00 0.00 C ATOM 0 HA PRO A 18 -16.114 -5.110 -9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.219 -5.616 -10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -18.398 -4.466 -9.436 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.801 -3.948 -12.342 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.898 -3.094 -11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.423 -2.115 -11.855 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.180 -1.825 -10.301 1.00 0.00 H new ATOM 250 N ASN A 19 -15.367 -5.502 -12.142 1.00 0.00 N ATOM 251 CA ASN A 19 -14.747 -6.430 -13.081 1.00 0.00 C ATOM 252 C ASN A 19 -13.272 -6.096 -13.283 1.00 0.00 C ATOM 253 O ASN A 19 -12.751 -6.187 -14.394 1.00 0.00 O ATOM 254 CB ASN A 19 -15.478 -6.393 -14.424 1.00 0.00 C ATOM 255 CG ASN A 19 -16.648 -7.357 -14.473 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.509 -8.497 -14.917 1.00 0.00 O ATOM 257 ND2 ASN A 19 -17.809 -6.903 -14.016 1.00 0.00 N ATOM 0 H ASN A 19 -15.526 -4.566 -12.516 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.820 -7.434 -12.662 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -15.837 -5.381 -14.611 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.777 -6.636 -15.223 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.631 -7.506 -14.024 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.879 -5.951 -13.657 1.00 0.00 H new ATOM 264 N ALA A 20 -12.605 -5.710 -12.200 1.00 0.00 N ATOM 265 CA ALA A 20 -11.190 -5.364 -12.257 1.00 0.00 C ATOM 266 C ALA A 20 -10.322 -6.526 -11.786 1.00 0.00 C ATOM 267 O ALA A 20 -10.482 -7.044 -10.680 1.00 0.00 O ATOM 268 CB ALA A 20 -10.915 -4.124 -11.420 1.00 0.00 C ATOM 0 H ALA A 20 -13.022 -5.629 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.935 -5.151 -13.295 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.854 -3.878 -11.472 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.501 -3.289 -11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.192 -4.316 -10.383 1.00 0.00 H new ATOM 274 N PRO A 21 -9.381 -6.949 -12.644 1.00 0.00 N ATOM 275 CA PRO A 21 -8.469 -8.055 -12.337 1.00 0.00 C ATOM 276 C PRO A 21 -7.459 -7.690 -11.255 1.00 0.00 C ATOM 277 O PRO A 21 -6.942 -6.572 -11.225 1.00 0.00 O ATOM 278 CB PRO A 21 -7.759 -8.309 -13.669 1.00 0.00 C ATOM 279 CG PRO A 21 -7.833 -7.008 -14.392 1.00 0.00 C ATOM 280 CD PRO A 21 -9.135 -6.379 -13.979 1.00 0.00 C ATOM 0 HA PRO A 21 -8.999 -8.925 -11.948 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.725 -8.617 -13.514 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.248 -9.104 -14.233 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.990 -6.368 -14.131 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.797 -7.158 -15.471 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.063 -5.292 -13.945 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.938 -6.624 -14.675 1.00 0.00 H new ATOM 288 N VAL A 22 -7.180 -8.639 -10.367 1.00 0.00 N ATOM 289 CA VAL A 22 -6.229 -8.417 -9.284 1.00 0.00 C ATOM 290 C VAL A 22 -4.793 -8.532 -9.781 1.00 0.00 C ATOM 291 O VAL A 22 -4.315 -9.626 -10.087 1.00 0.00 O ATOM 292 CB VAL A 22 -6.445 -9.419 -8.134 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.358 -9.266 -7.081 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.824 -9.235 -7.519 1.00 0.00 C ATOM 0 H VAL A 22 -7.599 -9.569 -10.376 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.402 -7.407 -8.913 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.385 -10.429 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.527 -9.982 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.384 -9.452 -7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.383 -8.254 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.959 -9.951 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.916 -8.222 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.587 -9.400 -8.280 1.00 0.00 H new ATOM 304 N THR A 23 -4.107 -7.396 -9.860 1.00 0.00 N ATOM 305 CA THR A 23 -2.725 -7.369 -10.321 1.00 0.00 C ATOM 306 C THR A 23 -1.838 -8.255 -9.453 1.00 0.00 C ATOM 307 O THR A 23 -1.182 -9.171 -9.950 1.00 0.00 O ATOM 308 CB THR A 23 -2.160 -5.936 -10.318 1.00 0.00 C ATOM 309 OG1 THR A 23 -3.138 -5.023 -10.827 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.894 -5.851 -11.157 1.00 0.00 C ATOM 0 H THR A 23 -4.486 -6.483 -9.611 1.00 0.00 H new ATOM 0 HA THR A 23 -2.725 -7.750 -11.342 1.00 0.00 H new ATOM 0 HB THR A 23 -1.914 -5.669 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.772 -4.114 -10.820 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.514 -4.830 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.141 -6.525 -10.749 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.119 -6.137 -12.185 1.00 0.00 H new ATOM 318 N LYS A 24 -1.823 -7.977 -8.154 1.00 0.00 N ATOM 319 CA LYS A 24 -1.018 -8.749 -7.215 1.00 0.00 C ATOM 320 C LYS A 24 -1.582 -8.646 -5.802 1.00 0.00 C ATOM 321 O LYS A 24 -1.886 -7.554 -5.323 1.00 0.00 O ATOM 322 CB LYS A 24 0.432 -8.262 -7.234 1.00 0.00 C ATOM 323 CG LYS A 24 1.400 -9.206 -6.542 1.00 0.00 C ATOM 324 CD LYS A 24 2.702 -8.508 -6.185 1.00 0.00 C ATOM 325 CE LYS A 24 3.619 -9.416 -5.381 1.00 0.00 C ATOM 326 NZ LYS A 24 3.993 -10.640 -6.141 1.00 0.00 N ATOM 0 H LYS A 24 -2.360 -7.222 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.048 -9.794 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.747 -8.126 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.485 -7.285 -6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.939 -9.602 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.608 -10.056 -7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.209 -8.193 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.487 -7.606 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.521 -8.869 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.124 -9.702 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.734 -11.156 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.158 -11.250 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.349 -10.370 -7.080 1.00 0.00 H new ATOM 340 N ALA A 25 -1.719 -9.790 -5.140 1.00 0.00 N ATOM 341 CA ALA A 25 -2.244 -9.828 -3.780 1.00 0.00 C ATOM 342 C ALA A 25 -1.242 -10.466 -2.823 1.00 0.00 C ATOM 343 O ALA A 25 -0.456 -11.326 -3.215 1.00 0.00 O ATOM 344 CB ALA A 25 -3.565 -10.581 -3.745 1.00 0.00 C ATOM 0 H ALA A 25 -1.474 -10.703 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.415 -8.802 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.945 -10.601 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.286 -10.080 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.411 -11.602 -4.095 1.00 0.00 H new ATOM 350 N GLY A 26 -1.277 -10.037 -1.565 1.00 0.00 N ATOM 351 CA GLY A 26 -0.367 -10.577 -0.572 1.00 0.00 C ATOM 352 C GLY A 26 -0.419 -9.815 0.738 1.00 0.00 C ATOM 353 O GLY A 26 -0.544 -8.590 0.746 1.00 0.00 O ATOM 0 H GLY A 26 -1.919 -9.325 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.612 -11.623 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.650 -10.551 -0.964 1.00 0.00 H new ATOM 357 N TRP A 27 -0.325 -10.540 1.846 1.00 0.00 N ATOM 358 CA TRP A 27 -0.364 -9.924 3.168 1.00 0.00 C ATOM 359 C TRP A 27 0.923 -9.155 3.448 1.00 0.00 C ATOM 360 O TRP A 27 2.019 -9.714 3.381 1.00 0.00 O ATOM 361 CB TRP A 27 -0.581 -10.989 4.244 1.00 0.00 C ATOM 362 CG TRP A 27 -2.003 -11.452 4.343 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.572 -12.501 3.680 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.036 -10.879 5.152 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.896 -12.615 4.028 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.205 -11.632 4.931 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.086 -9.804 6.044 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.409 -11.343 5.568 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.282 -9.518 6.675 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.429 -10.285 6.435 1.00 0.00 C ATOM 0 H TRP A 27 -0.221 -11.555 1.856 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.197 -9.222 3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.059 -11.846 4.031 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.268 -10.590 5.209 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.057 -13.146 2.984 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.544 -13.318 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.206 -9.208 6.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.295 -11.933 5.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.333 -8.689 7.365 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.348 -10.036 6.945 1.00 0.00 H new ATOM 381 N LEU A 28 0.784 -7.872 3.761 1.00 0.00 N ATOM 382 CA LEU A 28 1.937 -7.026 4.052 1.00 0.00 C ATOM 383 C LEU A 28 1.741 -6.271 5.363 1.00 0.00 C ATOM 384 O LEU A 28 0.701 -6.390 6.011 1.00 0.00 O ATOM 385 CB LEU A 28 2.169 -6.036 2.910 1.00 0.00 C ATOM 386 CG LEU A 28 2.829 -6.605 1.653 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.704 -5.627 0.495 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.291 -6.932 1.921 1.00 0.00 C ATOM 0 H LEU A 28 -0.115 -7.394 3.820 1.00 0.00 H new ATOM 0 HA LEU A 28 2.812 -7.668 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.208 -5.605 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.787 -5.220 3.283 1.00 0.00 H new ATOM 0 HG LEU A 28 2.314 -7.526 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.179 -6.049 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.650 -5.441 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.193 -4.689 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.745 -7.336 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.818 -6.025 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.358 -7.669 2.721 1.00 0.00 H new ATOM 400 N PHE A 29 2.746 -5.491 5.747 1.00 0.00 N ATOM 401 CA PHE A 29 2.685 -4.715 6.979 1.00 0.00 C ATOM 402 C PHE A 29 2.800 -3.221 6.688 1.00 0.00 C ATOM 403 O PHE A 29 3.807 -2.757 6.154 1.00 0.00 O ATOM 404 CB PHE A 29 3.799 -5.146 7.935 1.00 0.00 C ATOM 405 CG PHE A 29 3.718 -6.592 8.336 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.916 -7.595 7.402 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.444 -6.946 9.647 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.843 -8.926 7.767 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.370 -8.275 10.019 1.00 0.00 C ATOM 410 CZ PHE A 29 3.568 -9.267 9.077 1.00 0.00 C ATOM 0 H PHE A 29 3.613 -5.380 5.222 1.00 0.00 H new ATOM 0 HA PHE A 29 1.719 -4.903 7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.764 -4.962 7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.759 -4.526 8.831 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.130 -7.334 6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.286 -6.175 10.387 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.001 -9.698 7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.158 -8.538 11.045 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.508 -10.306 9.365 1.00 0.00 H new ATOM 420 N LYS A 30 1.759 -2.474 7.041 1.00 0.00 N ATOM 421 CA LYS A 30 1.741 -1.033 6.819 1.00 0.00 C ATOM 422 C LYS A 30 2.113 -0.282 8.093 1.00 0.00 C ATOM 423 O LYS A 30 1.312 -0.184 9.022 1.00 0.00 O ATOM 424 CB LYS A 30 0.359 -0.588 6.337 1.00 0.00 C ATOM 425 CG LYS A 30 0.313 0.859 5.875 1.00 0.00 C ATOM 426 CD LYS A 30 -0.967 1.160 5.114 1.00 0.00 C ATOM 427 CE LYS A 30 -1.279 2.649 5.116 1.00 0.00 C ATOM 428 NZ LYS A 30 -2.086 3.045 6.303 1.00 0.00 N ATOM 0 H LYS A 30 0.917 -2.843 7.482 1.00 0.00 H new ATOM 0 HA LYS A 30 2.479 -0.799 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.045 -1.233 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.360 -0.726 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.388 1.520 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.173 1.066 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.872 0.808 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.796 0.613 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.348 3.215 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.820 2.908 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.278 4.067 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.986 2.524 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.559 2.822 7.171 1.00 0.00 H new ATOM 442 N GLN A 31 3.332 0.248 8.129 1.00 0.00 N ATOM 443 CA GLN A 31 3.808 0.991 9.289 1.00 0.00 C ATOM 444 C GLN A 31 2.813 2.077 9.686 1.00 0.00 C ATOM 445 O GLN A 31 2.238 2.748 8.829 1.00 0.00 O ATOM 446 CB GLN A 31 5.173 1.616 8.996 1.00 0.00 C ATOM 447 CG GLN A 31 6.050 1.767 10.228 1.00 0.00 C ATOM 448 CD GLN A 31 7.161 2.781 10.034 1.00 0.00 C ATOM 449 OE1 GLN A 31 8.335 2.304 9.639 1.00 0.00 O flip ATOM 450 NE2 GLN A 31 6.965 3.979 10.237 1.00 0.00 N flip ATOM 0 H GLN A 31 4.007 0.176 7.368 1.00 0.00 H new ATOM 0 HA GLN A 31 3.907 0.293 10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.695 1.002 8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.025 2.596 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.432 2.068 11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.486 0.800 10.480 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.046 4.301 10.540 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.722 4.650 10.102 1.00 0.00 H new ATOM 459 N ALA A 32 2.616 2.245 10.989 1.00 0.00 N ATOM 460 CA ALA A 32 1.693 3.251 11.499 1.00 0.00 C ATOM 461 C ALA A 32 2.314 4.642 11.450 1.00 0.00 C ATOM 462 O ALA A 32 3.427 4.853 11.933 1.00 0.00 O ATOM 463 CB ALA A 32 1.272 2.908 12.921 1.00 0.00 C ATOM 0 H ALA A 32 3.084 1.697 11.711 1.00 0.00 H new ATOM 0 HA ALA A 32 0.809 3.254 10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.583 3.668 13.290 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.779 1.936 12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.152 2.875 13.563 1.00 0.00 H new ATOM 536 N GLN A 38 4.343 1.502 15.289 1.00 0.00 N ATOM 537 CA GLN A 38 4.192 0.054 15.226 1.00 0.00 C ATOM 538 C GLN A 38 3.847 -0.397 13.811 1.00 0.00 C ATOM 539 O GLN A 38 3.757 0.419 12.894 1.00 0.00 O ATOM 540 CB GLN A 38 3.108 -0.410 16.200 1.00 0.00 C ATOM 541 CG GLN A 38 1.697 -0.079 15.742 1.00 0.00 C ATOM 542 CD GLN A 38 0.645 -0.923 16.435 1.00 0.00 C ATOM 543 OE1 GLN A 38 -0.098 -1.662 15.789 1.00 0.00 O ATOM 544 NE2 GLN A 38 0.577 -0.816 17.757 1.00 0.00 N ATOM 0 HA GLN A 38 5.143 -0.397 15.510 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.193 -1.488 16.338 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.283 0.051 17.172 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.495 0.975 15.933 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.625 -0.228 14.665 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.213 -0.191 18.251 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.111 -1.359 18.278 1.00 0.00 H new ATOM 553 N TRP A 39 3.656 -1.700 13.640 1.00 0.00 N ATOM 554 CA TRP A 39 3.321 -2.259 12.335 1.00 0.00 C ATOM 555 C TRP A 39 1.950 -2.925 12.364 1.00 0.00 C ATOM 556 O TRP A 39 1.618 -3.643 13.306 1.00 0.00 O ATOM 557 CB TRP A 39 4.384 -3.271 11.904 1.00 0.00 C ATOM 558 CG TRP A 39 5.691 -2.639 11.534 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.723 -2.338 12.376 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.105 -2.228 10.226 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.754 -1.765 11.671 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.400 -1.687 10.350 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.509 -2.266 8.963 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.105 -1.188 9.258 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.210 -1.771 7.880 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.498 -1.238 8.033 1.00 0.00 C ATOM 0 H TRP A 39 3.727 -2.389 14.388 1.00 0.00 H new ATOM 0 HA TRP A 39 3.292 -1.442 11.614 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.549 -3.981 12.714 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.010 -3.840 11.053 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.728 -2.523 13.440 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.639 -1.449 12.067 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.518 -2.675 8.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.096 -0.776 9.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.758 -1.795 6.899 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.021 -0.860 7.167 1.00 0.00 H new ATOM 577 N ASN A 40 1.156 -2.680 11.326 1.00 0.00 N ATOM 578 CA ASN A 40 -0.180 -3.256 11.233 1.00 0.00 C ATOM 579 C ASN A 40 -0.308 -4.137 9.994 1.00 0.00 C ATOM 580 O ASN A 40 -0.281 -3.648 8.865 1.00 0.00 O ATOM 581 CB ASN A 40 -1.234 -2.148 11.196 1.00 0.00 C ATOM 582 CG ASN A 40 -1.200 -1.275 12.435 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.293 -0.306 12.451 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 -1.980 -1.471 13.367 1.00 0.00 N flip ATOM 0 H ASN A 40 1.415 -2.087 10.538 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.344 -3.875 12.115 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.074 -1.528 10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.223 -2.595 11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.661 -2.228 13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.945 -0.876 14.195 1.00 0.00 H new ATOM 591 N LYS A 41 -0.448 -5.440 10.214 1.00 0.00 N ATOM 592 CA LYS A 41 -0.582 -6.391 9.117 1.00 0.00 C ATOM 593 C LYS A 41 -1.997 -6.368 8.546 1.00 0.00 C ATOM 594 O LYS A 41 -2.967 -6.630 9.257 1.00 0.00 O ATOM 595 CB LYS A 41 -0.237 -7.804 9.594 1.00 0.00 C ATOM 596 CG LYS A 41 -0.459 -8.874 8.539 1.00 0.00 C ATOM 597 CD LYS A 41 -0.616 -10.249 9.164 1.00 0.00 C ATOM 598 CE LYS A 41 -0.489 -11.352 8.124 1.00 0.00 C ATOM 599 NZ LYS A 41 0.928 -11.579 7.727 1.00 0.00 N ATOM 0 H LYS A 41 -0.472 -5.862 11.143 1.00 0.00 H new ATOM 0 HA LYS A 41 0.114 -6.099 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.806 -7.827 9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.840 -8.040 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.349 -8.634 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.382 -8.882 7.846 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.140 -10.387 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.588 -10.319 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.907 -12.276 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.075 -11.090 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.988 -12.423 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.278 -10.752 7.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.509 -11.720 8.578 1.00 0.00 H new ATOM 613 N ARG A 42 -2.106 -6.054 7.260 1.00 0.00 N ATOM 614 CA ARG A 42 -3.402 -5.997 6.595 1.00 0.00 C ATOM 615 C ARG A 42 -3.330 -6.628 5.207 1.00 0.00 C ATOM 616 O ARG A 42 -2.247 -6.787 4.643 1.00 0.00 O ATOM 617 CB ARG A 42 -3.879 -4.548 6.483 1.00 0.00 C ATOM 618 CG ARG A 42 -3.971 -3.832 7.821 1.00 0.00 C ATOM 619 CD ARG A 42 -5.334 -4.029 8.465 1.00 0.00 C ATOM 620 NE ARG A 42 -5.268 -3.941 9.922 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.330 -4.045 10.713 1.00 0.00 C ATOM 622 NH1 ARG A 42 -7.533 -4.240 10.191 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.190 -3.954 12.029 1.00 0.00 N ATOM 0 H ARG A 42 -1.313 -5.835 6.657 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.115 -6.562 7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.198 -3.999 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.858 -4.533 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.194 -4.205 8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.785 -2.767 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.026 -3.276 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.734 -5.002 8.178 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.357 -3.792 10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.645 -4.311 9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.347 -4.320 10.801 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.266 -3.804 12.434 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.006 -4.034 12.635 1.00 0.00 H new ATOM 637 N TRP A 43 -4.488 -6.986 4.665 1.00 0.00 N ATOM 638 CA TRP A 43 -4.555 -7.601 3.344 1.00 0.00 C ATOM 639 C TRP A 43 -4.338 -6.562 2.249 1.00 0.00 C ATOM 640 O TRP A 43 -5.144 -5.647 2.079 1.00 0.00 O ATOM 641 CB TRP A 43 -5.906 -8.291 3.148 1.00 0.00 C ATOM 642 CG TRP A 43 -6.014 -9.028 1.847 1.00 0.00 C ATOM 643 CD1 TRP A 43 -7.005 -8.905 0.916 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.097 -10.002 1.335 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.760 -9.744 -0.144 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.596 -10.427 0.088 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.904 -10.554 1.808 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.941 -11.379 -0.689 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.256 -11.499 1.035 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.775 -11.904 -0.202 1.00 0.00 C ATOM 0 H TRP A 43 -5.393 -6.861 5.119 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.761 -8.345 3.276 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.071 -8.990 3.968 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.698 -7.544 3.201 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.856 -8.245 1.000 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.350 -9.842 -0.970 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.496 -10.248 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.339 -11.692 -1.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.333 -11.933 1.391 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.245 -12.645 -0.782 1.00 0.00 H new ATOM 661 N PHE A 44 -3.245 -6.710 1.507 1.00 0.00 N ATOM 662 CA PHE A 44 -2.922 -5.783 0.428 1.00 0.00 C ATOM 663 C PHE A 44 -3.305 -6.372 -0.927 1.00 0.00 C ATOM 664 O PHE A 44 -3.037 -7.540 -1.206 1.00 0.00 O ATOM 665 CB PHE A 44 -1.430 -5.444 0.448 1.00 0.00 C ATOM 666 CG PHE A 44 -1.095 -4.262 1.310 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.621 -4.148 2.587 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.254 -3.264 0.844 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.314 -3.060 3.383 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.056 -2.174 1.636 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.474 -2.072 2.907 1.00 0.00 C ATOM 0 H PHE A 44 -2.568 -7.463 1.633 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.496 -4.869 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.873 -6.311 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.097 -5.246 -0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.278 -4.918 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.164 -3.339 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.731 -2.983 4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.712 -1.403 1.261 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.232 -1.222 3.528 1.00 0.00 H new ATOM 681 N VAL A 45 -3.933 -5.553 -1.765 1.00 0.00 N ATOM 682 CA VAL A 45 -4.352 -5.991 -3.091 1.00 0.00 C ATOM 683 C VAL A 45 -4.075 -4.918 -4.137 1.00 0.00 C ATOM 684 O VAL A 45 -4.430 -3.752 -3.957 1.00 0.00 O ATOM 685 CB VAL A 45 -5.851 -6.344 -3.118 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.229 -6.965 -4.453 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.199 -7.278 -1.968 1.00 0.00 C ATOM 0 H VAL A 45 -4.163 -4.583 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.772 -6.883 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.425 -5.426 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.292 -7.208 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.018 -6.259 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.649 -7.875 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.262 -7.517 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.618 -8.196 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.967 -6.791 -1.021 1.00 0.00 H new ATOM 697 N LEU A 46 -3.438 -5.318 -5.232 1.00 0.00 N ATOM 698 CA LEU A 46 -3.113 -4.390 -6.310 1.00 0.00 C ATOM 699 C LEU A 46 -4.067 -4.566 -7.487 1.00 0.00 C ATOM 700 O LEU A 46 -4.063 -5.602 -8.153 1.00 0.00 O ATOM 701 CB LEU A 46 -1.670 -4.600 -6.772 1.00 0.00 C ATOM 702 CG LEU A 46 -1.125 -3.567 -7.760 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.933 -2.223 -7.076 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.185 -4.050 -8.368 1.00 0.00 C ATOM 0 H LEU A 46 -3.136 -6.278 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.222 -3.375 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.026 -4.608 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.596 -5.586 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.852 -3.442 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.545 -1.501 -7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.890 -1.872 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.227 -2.331 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.558 -3.303 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.918 -4.204 -7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.017 -4.989 -8.895 1.00 0.00 H new ATOM 716 N VAL A 47 -4.882 -3.547 -7.740 1.00 0.00 N ATOM 717 CA VAL A 47 -5.839 -3.588 -8.839 1.00 0.00 C ATOM 718 C VAL A 47 -5.918 -2.242 -9.549 1.00 0.00 C ATOM 719 O VAL A 47 -5.950 -1.191 -8.908 1.00 0.00 O ATOM 720 CB VAL A 47 -7.244 -3.979 -8.345 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.276 -3.764 -9.442 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.258 -5.423 -7.865 1.00 0.00 C ATOM 0 H VAL A 47 -4.899 -2.683 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.485 -4.344 -9.539 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.505 -3.337 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.262 -4.046 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.284 -2.714 -9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.022 -4.378 -10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.259 -5.682 -7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.976 -6.082 -8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.549 -5.541 -7.045 1.00 0.00 H new ATOM 732 N ASP A 48 -5.950 -2.280 -10.877 1.00 0.00 N ATOM 733 CA ASP A 48 -6.028 -1.063 -11.676 1.00 0.00 C ATOM 734 C ASP A 48 -4.857 -0.135 -11.367 1.00 0.00 C ATOM 735 O ASP A 48 -5.050 1.032 -11.027 1.00 0.00 O ATOM 736 CB ASP A 48 -7.350 -0.340 -11.415 1.00 0.00 C ATOM 737 CG ASP A 48 -7.697 0.646 -12.514 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.161 1.773 -12.491 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.505 0.289 -13.397 1.00 0.00 O ATOM 0 H ASP A 48 -5.923 -3.141 -11.423 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.978 -1.344 -12.728 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.150 -1.074 -11.323 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.291 0.187 -10.463 1.00 0.00 H new ATOM 744 N ARG A 49 -3.643 -0.663 -11.486 1.00 0.00 N ATOM 745 CA ARG A 49 -2.441 0.117 -11.218 1.00 0.00 C ATOM 746 C ARG A 49 -2.582 0.903 -9.918 1.00 0.00 C ATOM 747 O ARG A 49 -1.951 1.946 -9.739 1.00 0.00 O ATOM 748 CB ARG A 49 -2.159 1.075 -12.377 1.00 0.00 C ATOM 749 CG ARG A 49 -1.697 0.376 -13.646 1.00 0.00 C ATOM 750 CD ARG A 49 -1.261 1.376 -14.705 1.00 0.00 C ATOM 751 NE ARG A 49 0.082 1.891 -14.452 1.00 0.00 N ATOM 752 CZ ARG A 49 0.696 2.763 -15.243 1.00 0.00 C ATOM 753 NH1 ARG A 49 0.091 3.216 -16.332 1.00 0.00 N ATOM 754 NH2 ARG A 49 1.919 3.184 -14.946 1.00 0.00 N ATOM 0 H ARG A 49 -3.466 -1.628 -11.766 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.605 -0.575 -11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.062 1.645 -12.594 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.397 1.791 -12.069 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.869 -0.293 -13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.505 -0.241 -14.038 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.288 0.901 -15.685 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.968 2.205 -14.733 1.00 0.00 H new ATOM 0 HE ARG A 49 0.576 1.563 -13.622 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.849 2.895 -16.564 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.565 3.886 -16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.388 2.838 -14.109 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.390 3.854 -15.554 1.00 0.00 H new ATOM 768 N CYS A 50 -3.413 0.397 -9.014 1.00 0.00 N ATOM 769 CA CYS A 50 -3.638 1.052 -7.730 1.00 0.00 C ATOM 770 C CYS A 50 -3.542 0.050 -6.584 1.00 0.00 C ATOM 771 O CYS A 50 -3.736 -1.151 -6.777 1.00 0.00 O ATOM 772 CB CYS A 50 -5.007 1.733 -7.715 1.00 0.00 C ATOM 773 SG CYS A 50 -5.146 3.086 -6.524 1.00 0.00 S ATOM 0 H CYS A 50 -3.942 -0.465 -9.146 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.863 1.807 -7.594 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.220 2.118 -8.712 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.770 0.987 -7.492 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.971 2.748 -5.578 1.00 0.00 H new ATOM 779 N LEU A 51 -3.240 0.551 -5.391 1.00 0.00 N ATOM 780 CA LEU A 51 -3.117 -0.300 -4.213 1.00 0.00 C ATOM 781 C LEU A 51 -4.357 -0.194 -3.332 1.00 0.00 C ATOM 782 O LEU A 51 -4.866 0.900 -3.088 1.00 0.00 O ATOM 783 CB LEU A 51 -1.872 0.084 -3.411 1.00 0.00 C ATOM 784 CG LEU A 51 -1.217 -1.042 -2.609 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.262 -0.757 -2.401 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.920 -1.223 -1.272 1.00 0.00 C ATOM 0 H LEU A 51 -3.076 1.542 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.021 -1.332 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.132 0.491 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.141 0.885 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.312 -1.969 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.712 -1.568 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.757 -0.678 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.379 0.180 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.441 -2.028 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.857 -0.298 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.967 -1.473 -1.442 1.00 0.00 H new ATOM 798 N PHE A 52 -4.837 -1.337 -2.855 1.00 0.00 N ATOM 799 CA PHE A 52 -6.017 -1.373 -1.999 1.00 0.00 C ATOM 800 C PHE A 52 -5.816 -2.339 -0.835 1.00 0.00 C ATOM 801 O PHE A 52 -5.568 -3.528 -1.037 1.00 0.00 O ATOM 802 CB PHE A 52 -7.249 -1.782 -2.809 1.00 0.00 C ATOM 803 CG PHE A 52 -7.442 -0.970 -4.058 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.423 0.414 -4.010 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.642 -1.592 -5.280 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.600 1.164 -5.158 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.818 -0.847 -6.431 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.799 0.532 -6.370 1.00 0.00 C ATOM 0 H PHE A 52 -4.427 -2.251 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.172 -0.373 -1.595 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.163 -2.835 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.135 -1.685 -2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.268 0.913 -3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.661 -2.671 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.583 2.243 -5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.970 -1.344 -7.378 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.939 1.115 -7.268 1.00 0.00 H new ATOM 818 N TYR A 53 -5.925 -1.820 0.383 1.00 0.00 N ATOM 819 CA TYR A 53 -5.753 -2.634 1.579 1.00 0.00 C ATOM 820 C TYR A 53 -7.084 -2.839 2.296 1.00 0.00 C ATOM 821 O TYR A 53 -7.761 -1.877 2.659 1.00 0.00 O ATOM 822 CB TYR A 53 -4.746 -1.979 2.527 1.00 0.00 C ATOM 823 CG TYR A 53 -5.236 -0.682 3.128 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.041 0.528 2.472 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.895 -0.665 4.351 1.00 0.00 C ATOM 826 CE1 TYR A 53 -5.487 1.716 3.018 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.346 0.518 4.904 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.139 1.706 4.234 1.00 0.00 C ATOM 829 OH TYR A 53 -6.585 2.888 4.780 1.00 0.00 O ATOM 0 H TYR A 53 -6.132 -0.838 0.567 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.373 -3.608 1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.510 -2.676 3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.819 -1.791 1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.532 0.539 1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.058 -1.593 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.326 2.648 2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.858 0.513 5.855 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.024 2.707 5.637 1.00 0.00 H new ATOM 839 N TYR A 54 -7.453 -4.099 2.496 1.00 0.00 N ATOM 840 CA TYR A 54 -8.703 -4.432 3.168 1.00 0.00 C ATOM 841 C TYR A 54 -8.441 -4.996 4.561 1.00 0.00 C ATOM 842 O TYR A 54 -7.376 -5.553 4.828 1.00 0.00 O ATOM 843 CB TYR A 54 -9.498 -5.442 2.339 1.00 0.00 C ATOM 844 CG TYR A 54 -9.809 -4.965 0.938 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.903 -5.154 -0.098 1.00 0.00 C ATOM 846 CD2 TYR A 54 -11.008 -4.324 0.651 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.182 -4.719 -1.379 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.296 -3.887 -0.627 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.380 -4.086 -1.639 1.00 0.00 C ATOM 850 OH TYR A 54 -10.662 -3.651 -2.914 1.00 0.00 O ATOM 0 H TYR A 54 -6.904 -4.907 2.202 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.285 -3.516 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.935 -6.374 2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.433 -5.666 2.853 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.964 -5.650 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.727 -4.165 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.466 -4.874 -2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.234 -3.392 -0.833 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.630 -3.678 -3.062 1.00 0.00 H new ATOM 860 N LYS A 55 -9.420 -4.846 5.447 1.00 0.00 N ATOM 861 CA LYS A 55 -9.298 -5.341 6.813 1.00 0.00 C ATOM 862 C LYS A 55 -9.005 -6.838 6.826 1.00 0.00 C ATOM 863 O LYS A 55 -8.361 -7.346 7.744 1.00 0.00 O ATOM 864 CB LYS A 55 -10.581 -5.055 7.597 1.00 0.00 C ATOM 865 CG LYS A 55 -11.737 -5.968 7.225 1.00 0.00 C ATOM 866 CD LYS A 55 -12.587 -5.369 6.117 1.00 0.00 C ATOM 867 CE LYS A 55 -13.987 -5.963 6.105 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.940 -5.122 5.330 1.00 0.00 N ATOM 0 H LYS A 55 -10.307 -4.385 5.243 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.465 -4.822 7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.376 -5.158 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.877 -4.020 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.349 -6.935 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.357 -6.148 8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.650 -4.289 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.108 -5.545 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.953 -6.964 5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.346 -6.068 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.883 -5.561 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.992 -4.174 5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.612 -5.042 4.346 1.00 0.00 H new ATOM 882 N ASP A 56 -9.480 -7.538 5.801 1.00 0.00 N ATOM 883 CA ASP A 56 -9.267 -8.976 5.694 1.00 0.00 C ATOM 884 C ASP A 56 -9.220 -9.411 4.232 1.00 0.00 C ATOM 885 O ASP A 56 -9.263 -8.579 3.326 1.00 0.00 O ATOM 886 CB ASP A 56 -10.374 -9.734 6.429 1.00 0.00 C ATOM 887 CG ASP A 56 -11.749 -9.158 6.156 1.00 0.00 C ATOM 888 OD1 ASP A 56 -11.901 -8.435 5.149 1.00 0.00 O ATOM 889 OD2 ASP A 56 -12.674 -9.428 6.950 1.00 0.00 O ATOM 0 H ASP A 56 -10.015 -7.132 5.033 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.308 -9.211 6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.355 -10.781 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.178 -9.708 7.501 1.00 0.00 H new ATOM 894 N GLU A 57 -9.130 -10.718 4.011 1.00 0.00 N ATOM 895 CA GLU A 57 -9.075 -11.262 2.659 1.00 0.00 C ATOM 896 C GLU A 57 -10.476 -11.398 2.070 1.00 0.00 C ATOM 897 O GLU A 57 -10.775 -12.363 1.366 1.00 0.00 O ATOM 898 CB GLU A 57 -8.376 -12.623 2.661 1.00 0.00 C ATOM 899 CG GLU A 57 -9.057 -13.656 3.544 1.00 0.00 C ATOM 900 CD GLU A 57 -10.155 -14.410 2.820 1.00 0.00 C ATOM 901 OE1 GLU A 57 -9.848 -15.085 1.815 1.00 0.00 O ATOM 902 OE2 GLU A 57 -11.321 -14.325 3.258 1.00 0.00 O ATOM 0 H GLU A 57 -9.094 -11.420 4.750 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.505 -10.570 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.334 -13.002 1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.347 -12.493 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.313 -14.365 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.478 -13.160 4.419 1.00 0.00 H new ATOM 909 N LYS A 58 -11.333 -10.426 2.365 1.00 0.00 N ATOM 910 CA LYS A 58 -12.702 -10.435 1.865 1.00 0.00 C ATOM 911 C LYS A 58 -12.862 -9.467 0.697 1.00 0.00 C ATOM 912 O LYS A 58 -13.736 -9.642 -0.151 1.00 0.00 O ATOM 913 CB LYS A 58 -13.678 -10.064 2.985 1.00 0.00 C ATOM 914 CG LYS A 58 -13.815 -11.136 4.052 1.00 0.00 C ATOM 915 CD LYS A 58 -15.185 -11.097 4.708 1.00 0.00 C ATOM 916 CE LYS A 58 -15.474 -12.381 5.471 1.00 0.00 C ATOM 917 NZ LYS A 58 -14.673 -12.474 6.723 1.00 0.00 N ATOM 0 H LYS A 58 -11.103 -9.622 2.948 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.927 -11.442 1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.345 -9.138 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.658 -9.868 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.652 -12.117 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.044 -10.997 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.240 -10.248 5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.950 -10.945 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.535 -12.428 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.255 -13.239 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.898 -13.363 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.660 -12.455 6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.901 -11.669 7.341 1.00 0.00 H new ATOM 931 N GLU A 59 -12.009 -8.447 0.658 1.00 0.00 N ATOM 932 CA GLU A 59 -12.057 -7.453 -0.408 1.00 0.00 C ATOM 933 C GLU A 59 -13.492 -7.009 -0.674 1.00 0.00 C ATOM 934 O GLU A 59 -13.965 -7.052 -1.809 1.00 0.00 O ATOM 935 CB GLU A 59 -11.440 -8.018 -1.689 1.00 0.00 C ATOM 936 CG GLU A 59 -9.979 -8.407 -1.542 1.00 0.00 C ATOM 937 CD GLU A 59 -9.444 -9.137 -2.758 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.827 -8.769 -3.888 1.00 0.00 O ATOM 939 OE2 GLU A 59 -8.641 -10.077 -2.579 1.00 0.00 O ATOM 0 H GLU A 59 -11.278 -8.288 1.351 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.481 -6.585 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.010 -8.893 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.532 -7.277 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.384 -7.510 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.862 -9.040 -0.662 1.00 0.00 H new ATOM 946 N GLU A 60 -14.179 -6.583 0.382 1.00 0.00 N ATOM 947 CA GLU A 60 -15.560 -6.131 0.262 1.00 0.00 C ATOM 948 C GLU A 60 -15.632 -4.608 0.208 1.00 0.00 C ATOM 949 O GLU A 60 -16.204 -4.036 -0.719 1.00 0.00 O ATOM 950 CB GLU A 60 -16.393 -6.651 1.436 1.00 0.00 C ATOM 951 CG GLU A 60 -16.741 -8.126 1.330 1.00 0.00 C ATOM 952 CD GLU A 60 -18.028 -8.369 0.566 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.081 -8.023 -0.633 1.00 0.00 O ATOM 954 OE2 GLU A 60 -18.982 -8.904 1.168 1.00 0.00 O ATOM 0 H GLU A 60 -13.802 -6.542 1.329 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.966 -6.529 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.845 -6.482 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.315 -6.073 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.925 -8.653 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.833 -8.547 2.331 1.00 0.00 H new ATOM 961 N SER A 61 -15.049 -3.958 1.210 1.00 0.00 N ATOM 962 CA SER A 61 -15.050 -2.501 1.280 1.00 0.00 C ATOM 963 C SER A 61 -13.634 -1.965 1.463 1.00 0.00 C ATOM 964 O SER A 61 -12.995 -2.206 2.487 1.00 0.00 O ATOM 965 CB SER A 61 -15.941 -2.026 2.429 1.00 0.00 C ATOM 966 OG SER A 61 -17.312 -2.107 2.080 1.00 0.00 O ATOM 0 H SER A 61 -14.570 -4.417 1.985 1.00 0.00 H new ATOM 0 HA SER A 61 -15.446 -2.116 0.340 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.752 -2.633 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.689 -0.998 2.687 1.00 0.00 H new ATOM 0 HG SER A 61 -17.860 -1.799 2.832 1.00 0.00 H new ATOM 972 N ILE A 62 -13.150 -1.236 0.463 1.00 0.00 N ATOM 973 CA ILE A 62 -11.810 -0.664 0.513 1.00 0.00 C ATOM 974 C ILE A 62 -11.698 0.376 1.623 1.00 0.00 C ATOM 975 O ILE A 62 -12.365 1.411 1.588 1.00 0.00 O ATOM 976 CB ILE A 62 -11.426 -0.012 -0.828 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.393 -1.062 -1.940 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.079 0.686 -0.711 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.356 -0.468 -3.331 1.00 0.00 C ATOM 0 H ILE A 62 -13.666 -1.027 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.123 -1.485 0.717 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.179 0.734 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.519 -1.698 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.271 -1.702 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.821 1.142 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.135 1.458 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.315 -0.042 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.334 -1.270 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.243 0.145 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.464 0.149 -3.439 1.00 0.00 H new ATOM 991 N LEU A 63 -10.849 0.096 2.605 1.00 0.00 N ATOM 992 CA LEU A 63 -10.646 1.008 3.725 1.00 0.00 C ATOM 993 C LEU A 63 -9.929 2.276 3.272 1.00 0.00 C ATOM 994 O LEU A 63 -10.226 3.372 3.745 1.00 0.00 O ATOM 995 CB LEU A 63 -9.842 0.320 4.830 1.00 0.00 C ATOM 996 CG LEU A 63 -10.272 -1.104 5.185 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.280 -1.735 6.150 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.672 -1.105 5.780 1.00 0.00 C ATOM 0 H LEU A 63 -10.290 -0.756 2.649 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.624 1.287 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.794 0.298 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.902 0.932 5.730 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.287 -1.698 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.602 -2.748 6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.293 -1.768 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.233 -1.142 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.962 -2.126 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.684 -0.496 6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.375 -0.693 5.056 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.984 2.118 2.351 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.240 3.258 1.848 1.00 0.00 C ATOM 1012 C GLY A 64 -7.441 2.925 0.604 1.00 0.00 C ATOM 1013 O GLY A 64 -6.651 1.981 0.599 1.00 0.00 O ATOM 0 H GLY A 64 -8.720 1.221 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.932 4.070 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.565 3.619 2.624 1.00 0.00 H new ATOM 1017 N SER A 65 -7.646 3.703 -0.455 1.00 0.00 N ATOM 1018 CA SER A 65 -6.941 3.482 -1.713 1.00 0.00 C ATOM 1019 C SER A 65 -5.808 4.489 -1.885 1.00 0.00 C ATOM 1020 O SER A 65 -6.011 5.697 -1.751 1.00 0.00 O ATOM 1021 CB SER A 65 -7.913 3.585 -2.890 1.00 0.00 C ATOM 1022 OG SER A 65 -8.850 4.628 -2.689 1.00 0.00 O ATOM 0 H SER A 65 -8.294 4.491 -0.467 1.00 0.00 H new ATOM 0 HA SER A 65 -6.512 2.480 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.357 3.764 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.439 2.639 -3.015 1.00 0.00 H new ATOM 0 HG SER A 65 -9.458 4.674 -3.456 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.616 3.984 -2.182 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.451 4.838 -2.373 1.00 0.00 C ATOM 1030 C ILE A 66 -2.910 4.720 -3.794 1.00 0.00 C ATOM 1031 O ILE A 66 -2.444 3.664 -4.222 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.328 4.490 -1.378 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.856 4.537 0.058 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.155 5.444 -1.548 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -1.879 3.997 1.079 1.00 0.00 C ATOM 0 H ILE A 66 -4.432 2.987 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.778 5.862 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.981 3.478 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.102 5.568 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.782 3.965 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.370 5.185 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.766 5.366 -2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.487 6.466 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.320 4.061 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.651 2.956 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.961 4.584 1.050 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.970 5.830 -4.544 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.488 5.878 -5.927 1.00 0.00 C ATOM 1049 C PRO A 67 -0.969 5.782 -6.016 1.00 0.00 C ATOM 1050 O PRO A 67 -0.251 6.633 -5.488 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.968 7.244 -6.423 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.095 8.071 -5.190 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.512 7.125 -4.099 1.00 0.00 C ATOM 0 HA PRO A 67 -2.860 5.040 -6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.257 7.683 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.921 7.163 -6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.150 8.556 -4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.833 8.862 -5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.103 7.421 -3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.596 7.091 -3.990 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.484 4.743 -6.686 1.00 0.00 N ATOM 1062 CA LEU A 68 0.951 4.536 -6.845 1.00 0.00 C ATOM 1063 C LEU A 68 1.445 5.130 -8.161 1.00 0.00 C ATOM 1064 O LEU A 68 2.618 5.479 -8.295 1.00 0.00 O ATOM 1065 CB LEU A 68 1.281 3.044 -6.790 1.00 0.00 C ATOM 1066 CG LEU A 68 1.210 2.391 -5.409 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.012 0.889 -5.538 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.467 2.699 -4.609 1.00 0.00 C ATOM 0 H LEU A 68 -1.064 4.030 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 68 1.459 5.044 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.597 2.516 -7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.286 2.900 -7.187 1.00 0.00 H new ATOM 0 HG LEU A 68 0.354 2.804 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.964 0.442 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.083 0.689 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.847 0.458 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.399 2.227 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.339 2.314 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.565 3.778 -4.486 1.00 0.00 H new ATOM 1080 N LEU A 69 0.541 5.243 -9.128 1.00 0.00 N ATOM 1081 CA LEU A 69 0.884 5.796 -10.434 1.00 0.00 C ATOM 1082 C LEU A 69 1.571 7.150 -10.288 1.00 0.00 C ATOM 1083 O LEU A 69 2.190 7.648 -11.228 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.372 5.939 -11.295 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.299 6.967 -12.424 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.774 6.580 -13.429 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.651 7.104 -13.110 1.00 0.00 C ATOM 0 H LEU A 69 -0.434 4.959 -9.033 1.00 0.00 H new ATOM 0 HA LEU A 69 1.575 5.109 -10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.602 4.967 -11.731 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.206 6.202 -10.644 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.034 7.933 -11.994 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.812 7.323 -14.225 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.741 6.535 -12.929 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.539 5.604 -13.854 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.580 7.840 -13.911 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.947 6.141 -13.527 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.396 7.429 -12.384 1.00 0.00 H new ATOM 1099 N SER A 70 1.457 7.741 -9.102 1.00 0.00 N ATOM 1100 CA SER A 70 2.066 9.038 -8.833 1.00 0.00 C ATOM 1101 C SER A 70 2.972 8.970 -7.608 1.00 0.00 C ATOM 1102 O SER A 70 2.991 9.884 -6.783 1.00 0.00 O ATOM 1103 CB SER A 70 0.984 10.099 -8.622 1.00 0.00 C ATOM 1104 OG SER A 70 0.006 9.654 -7.699 1.00 0.00 O ATOM 0 H SER A 70 0.949 7.342 -8.313 1.00 0.00 H new ATOM 0 HA SER A 70 2.672 9.313 -9.696 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.440 11.020 -8.258 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.509 10.333 -9.575 1.00 0.00 H new ATOM 0 HG SER A 70 -0.673 10.351 -7.580 1.00 0.00 H new ATOM 1110 N PHE A 71 3.723 7.879 -7.495 1.00 0.00 N ATOM 1111 CA PHE A 71 4.631 7.689 -6.370 1.00 0.00 C ATOM 1112 C PHE A 71 5.939 7.050 -6.829 1.00 0.00 C ATOM 1113 O PHE A 71 6.126 6.777 -8.015 1.00 0.00 O ATOM 1114 CB PHE A 71 3.974 6.817 -5.298 1.00 0.00 C ATOM 1115 CG PHE A 71 3.070 7.583 -4.374 1.00 0.00 C ATOM 1116 CD1 PHE A 71 1.878 8.117 -4.835 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.413 7.768 -3.044 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.045 8.823 -3.987 1.00 0.00 C ATOM 1119 CE2 PHE A 71 2.584 8.473 -2.192 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.398 9.000 -2.664 1.00 0.00 C ATOM 0 H PHE A 71 3.721 7.113 -8.169 1.00 0.00 H new ATOM 0 HA PHE A 71 4.854 8.668 -5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.400 6.028 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.752 6.329 -4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.596 7.980 -5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.339 7.357 -2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.119 9.236 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.863 8.612 -1.158 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.748 9.550 -1.999 1.00 0.00 H new ATOM 1130 N ARG A 72 6.840 6.815 -5.881 1.00 0.00 N ATOM 1131 CA ARG A 72 8.131 6.211 -6.188 1.00 0.00 C ATOM 1132 C ARG A 72 8.472 5.116 -5.180 1.00 0.00 C ATOM 1133 O ARG A 72 8.892 5.399 -4.058 1.00 0.00 O ATOM 1134 CB ARG A 72 9.229 7.276 -6.190 1.00 0.00 C ATOM 1135 CG ARG A 72 10.581 6.755 -6.649 1.00 0.00 C ATOM 1136 CD ARG A 72 10.690 6.748 -8.166 1.00 0.00 C ATOM 1137 NE ARG A 72 10.653 8.097 -8.724 1.00 0.00 N ATOM 1138 CZ ARG A 72 10.953 8.378 -9.987 1.00 0.00 C ATOM 1139 NH1 ARG A 72 11.308 7.409 -10.819 1.00 0.00 N ATOM 1140 NH2 ARG A 72 10.896 9.631 -10.421 1.00 0.00 N ATOM 0 H ARG A 72 6.700 7.033 -4.895 1.00 0.00 H new ATOM 0 HA ARG A 72 8.068 5.762 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.926 8.097 -6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.329 7.685 -5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.373 7.375 -6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.731 5.745 -6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.619 6.259 -8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.874 6.160 -8.585 1.00 0.00 H new ATOM 0 HE ARG A 72 10.382 8.865 -8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.351 6.445 -10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.538 7.628 -11.788 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.622 10.379 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.127 9.846 -11.391 1.00 0.00 H new ATOM 1154 N VAL A 73 8.287 3.865 -5.589 1.00 0.00 N ATOM 1155 CA VAL A 73 8.575 2.728 -4.723 1.00 0.00 C ATOM 1156 C VAL A 73 10.032 2.297 -4.848 1.00 0.00 C ATOM 1157 O VAL A 73 10.579 2.234 -5.948 1.00 0.00 O ATOM 1158 CB VAL A 73 7.667 1.528 -5.052 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.805 0.447 -3.991 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.219 1.976 -5.183 1.00 0.00 C ATOM 0 H VAL A 73 7.939 3.613 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 73 8.381 3.052 -3.700 1.00 0.00 H new ATOM 0 HB VAL A 73 7.981 1.108 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.156 -0.393 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.840 0.107 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.518 0.851 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.592 1.116 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.890 2.422 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.137 2.712 -5.983 1.00 0.00 H new ATOM 1170 N ALA A 74 10.655 2.003 -3.711 1.00 0.00 N ATOM 1171 CA ALA A 74 12.049 1.576 -3.693 1.00 0.00 C ATOM 1172 C ALA A 74 12.435 1.023 -2.325 1.00 0.00 C ATOM 1173 O ALA A 74 11.975 1.512 -1.295 1.00 0.00 O ATOM 1174 CB ALA A 74 12.960 2.733 -4.074 1.00 0.00 C ATOM 0 H ALA A 74 10.217 2.053 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 74 12.169 0.778 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.998 2.400 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.707 3.080 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.829 3.549 -3.363 1.00 0.00 H new ATOM 1180 N ALA A 75 13.284 0.000 -2.324 1.00 0.00 N ATOM 1181 CA ALA A 75 13.733 -0.619 -1.083 1.00 0.00 C ATOM 1182 C ALA A 75 14.159 0.436 -0.067 1.00 0.00 C ATOM 1183 O ALA A 75 14.477 1.569 -0.429 1.00 0.00 O ATOM 1184 CB ALA A 75 14.879 -1.582 -1.358 1.00 0.00 C ATOM 0 H ALA A 75 13.674 -0.417 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 75 12.897 -1.177 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.204 -2.037 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.543 -2.361 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.711 -1.039 -1.806 1.00 0.00 H new ATOM 1190 N VAL A 76 14.162 0.057 1.207 1.00 0.00 N ATOM 1191 CA VAL A 76 14.549 0.970 2.276 1.00 0.00 C ATOM 1192 C VAL A 76 16.052 1.219 2.268 1.00 0.00 C ATOM 1193 O VAL A 76 16.789 0.604 1.498 1.00 0.00 O ATOM 1194 CB VAL A 76 14.137 0.424 3.656 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.669 0.716 3.930 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.418 -1.068 3.744 1.00 0.00 C ATOM 0 H VAL A 76 13.901 -0.877 1.524 1.00 0.00 H new ATOM 0 HA VAL A 76 14.027 1.910 2.095 1.00 0.00 H new ATOM 0 HB VAL A 76 14.731 0.928 4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.396 0.323 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.503 1.793 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.055 0.242 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.121 -1.437 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.852 -1.591 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.483 -1.247 3.596 1.00 0.00 H new ATOM 1206 N GLN A 77 16.501 2.126 3.130 1.00 0.00 N ATOM 1207 CA GLN A 77 17.918 2.457 3.222 1.00 0.00 C ATOM 1208 C GLN A 77 18.484 2.053 4.579 1.00 0.00 C ATOM 1209 O GLN A 77 17.762 1.927 5.568 1.00 0.00 O ATOM 1210 CB GLN A 77 18.129 3.955 2.993 1.00 0.00 C ATOM 1211 CG GLN A 77 18.119 4.354 1.526 1.00 0.00 C ATOM 1212 CD GLN A 77 18.675 5.745 1.295 1.00 0.00 C ATOM 1213 OE1 GLN A 77 19.566 6.197 2.015 1.00 0.00 O ATOM 1214 NE2 GLN A 77 18.149 6.433 0.288 1.00 0.00 N ATOM 0 H GLN A 77 15.904 2.644 3.774 1.00 0.00 H new ATOM 0 HA GLN A 77 18.447 1.900 2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.349 4.507 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.080 4.251 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.704 3.634 0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.098 4.308 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.412 6.019 -0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.482 7.376 0.085 1.00 0.00 H new ATOM 1223 N PRO A 78 19.808 1.845 4.630 1.00 0.00 N ATOM 1224 CA PRO A 78 20.501 1.453 5.860 1.00 0.00 C ATOM 1225 C PRO A 78 20.540 2.578 6.888 1.00 0.00 C ATOM 1226 O PRO A 78 20.997 2.387 8.015 1.00 0.00 O ATOM 1227 CB PRO A 78 21.916 1.119 5.380 1.00 0.00 C ATOM 1228 CG PRO A 78 22.089 1.913 4.132 1.00 0.00 C ATOM 1229 CD PRO A 78 20.731 1.978 3.490 1.00 0.00 C ATOM 0 HA PRO A 78 20.000 0.626 6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.662 1.389 6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.028 0.052 5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.464 2.912 4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.813 1.442 3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.582 2.919 2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.591 1.177 2.764 1.00 0.00 H new ATOM 1237 N SER A 79 20.057 3.752 6.492 1.00 0.00 N ATOM 1238 CA SER A 79 20.040 4.909 7.379 1.00 0.00 C ATOM 1239 C SER A 79 18.627 5.187 7.882 1.00 0.00 C ATOM 1240 O SER A 79 18.420 6.036 8.750 1.00 0.00 O ATOM 1241 CB SER A 79 20.586 6.141 6.655 1.00 0.00 C ATOM 1242 OG SER A 79 19.649 6.638 5.715 1.00 0.00 O ATOM 0 H SER A 79 19.673 3.926 5.563 1.00 0.00 H new ATOM 0 HA SER A 79 20.676 4.688 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.824 6.918 7.382 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.515 5.885 6.146 1.00 0.00 H new ATOM 0 HG SER A 79 20.021 7.426 5.267 1.00 0.00 H new ATOM 1248 N ASP A 80 17.657 4.465 7.331 1.00 0.00 N ATOM 1249 CA ASP A 80 16.262 4.631 7.724 1.00 0.00 C ATOM 1250 C ASP A 80 15.995 3.970 9.073 1.00 0.00 C ATOM 1251 O ASP A 80 16.798 3.170 9.553 1.00 0.00 O ATOM 1252 CB ASP A 80 15.337 4.041 6.660 1.00 0.00 C ATOM 1253 CG ASP A 80 15.050 5.017 5.536 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.016 5.583 4.982 1.00 0.00 O ATOM 1255 OD2 ASP A 80 13.861 5.215 5.210 1.00 0.00 O ATOM 0 H ASP A 80 17.811 3.759 6.611 1.00 0.00 H new ATOM 0 HA ASP A 80 16.061 5.698 7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.791 3.140 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.398 3.741 7.125 1.00 0.00 H new ATOM 1260 N ASN A 81 14.862 4.310 9.679 1.00 0.00 N ATOM 1261 CA ASN A 81 14.490 3.750 10.973 1.00 0.00 C ATOM 1262 C ASN A 81 13.665 2.478 10.798 1.00 0.00 C ATOM 1263 O ASN A 81 12.556 2.369 11.321 1.00 0.00 O ATOM 1264 CB ASN A 81 13.699 4.776 11.787 1.00 0.00 C ATOM 1265 CG ASN A 81 12.501 5.316 11.030 1.00 0.00 C ATOM 1266 OD1 ASN A 81 12.570 6.380 10.414 1.00 0.00 O ATOM 1267 ND2 ASN A 81 11.395 4.583 11.073 1.00 0.00 N ATOM 0 H ASN A 81 14.186 4.970 9.295 1.00 0.00 H new ATOM 0 HA ASN A 81 15.405 3.498 11.509 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.361 4.316 12.716 1.00 0.00 H new ATOM 0 HB3 ASN A 81 14.355 5.602 12.061 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.557 4.895 10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.383 3.707 11.596 1.00 0.00 H new ATOM 1274 N ILE A 82 14.215 1.519 10.061 1.00 0.00 N ATOM 1275 CA ILE A 82 13.532 0.255 9.819 1.00 0.00 C ATOM 1276 C ILE A 82 14.418 -0.929 10.191 1.00 0.00 C ATOM 1277 O ILE A 82 15.283 -1.337 9.416 1.00 0.00 O ATOM 1278 CB ILE A 82 13.104 0.119 8.346 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.282 1.336 7.916 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.310 -1.162 8.141 1.00 0.00 C ATOM 1281 CD1 ILE A 82 10.986 1.490 8.681 1.00 0.00 C ATOM 0 H ILE A 82 15.132 1.594 9.621 1.00 0.00 H new ATOM 0 HA ILE A 82 12.642 0.252 10.449 1.00 0.00 H new ATOM 0 HB ILE A 82 13.999 0.072 7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.883 2.236 8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.059 1.257 6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.015 -1.244 7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.926 -2.019 8.412 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.419 -1.142 8.769 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.455 2.373 8.324 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.366 0.607 8.527 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.202 1.601 9.744 1.00 0.00 H new ATOM 1293 N SER A 83 14.196 -1.477 11.381 1.00 0.00 N ATOM 1294 CA SER A 83 14.975 -2.614 11.857 1.00 0.00 C ATOM 1295 C SER A 83 14.491 -3.911 11.216 1.00 0.00 C ATOM 1296 O SER A 83 15.008 -4.990 11.507 1.00 0.00 O ATOM 1297 CB SER A 83 14.885 -2.719 13.380 1.00 0.00 C ATOM 1298 OG SER A 83 13.561 -2.487 13.830 1.00 0.00 O ATOM 0 H SER A 83 13.483 -1.152 12.034 1.00 0.00 H new ATOM 0 HA SER A 83 16.015 -2.455 11.572 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.213 -3.708 13.699 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.560 -1.996 13.838 1.00 0.00 H new ATOM 0 HG SER A 83 13.530 -2.561 14.807 1.00 0.00 H new ATOM 1304 N ARG A 84 13.496 -3.797 10.343 1.00 0.00 N ATOM 1305 CA ARG A 84 12.940 -4.960 9.661 1.00 0.00 C ATOM 1306 C ARG A 84 13.547 -5.116 8.270 1.00 0.00 C ATOM 1307 O ARG A 84 13.580 -4.168 7.485 1.00 0.00 O ATOM 1308 CB ARG A 84 11.419 -4.837 9.556 1.00 0.00 C ATOM 1309 CG ARG A 84 10.692 -5.133 10.857 1.00 0.00 C ATOM 1310 CD ARG A 84 9.224 -4.746 10.776 1.00 0.00 C ATOM 1311 NE ARG A 84 8.408 -5.488 11.734 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.361 -5.207 13.031 1.00 0.00 C ATOM 1313 NH1 ARG A 84 9.077 -4.206 13.523 1.00 0.00 N ATOM 1314 NH2 ARG A 84 7.594 -5.928 13.840 1.00 0.00 N ATOM 0 H ARG A 84 13.058 -2.911 10.091 1.00 0.00 H new ATOM 0 HA ARG A 84 13.186 -5.846 10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.166 -3.828 9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.060 -5.520 8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.777 -6.195 11.089 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.168 -4.589 11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.120 -3.677 10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.856 -4.930 9.767 1.00 0.00 H new ATOM 0 HE ARG A 84 7.844 -6.264 11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.667 -3.649 12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.038 -3.993 14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.040 -6.698 13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.558 -5.712 14.836 1.00 0.00 H new ATOM 1328 N LYS A 85 14.027 -6.318 7.971 1.00 0.00 N ATOM 1329 CA LYS A 85 14.631 -6.600 6.674 1.00 0.00 C ATOM 1330 C LYS A 85 13.561 -6.849 5.617 1.00 0.00 C ATOM 1331 O LYS A 85 12.455 -7.291 5.930 1.00 0.00 O ATOM 1332 CB LYS A 85 15.557 -7.815 6.774 1.00 0.00 C ATOM 1333 CG LYS A 85 16.757 -7.593 7.679 1.00 0.00 C ATOM 1334 CD LYS A 85 17.760 -8.729 7.563 1.00 0.00 C ATOM 1335 CE LYS A 85 18.836 -8.633 8.634 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.404 -9.967 8.971 1.00 0.00 N ATOM 0 H LYS A 85 14.010 -7.113 8.610 1.00 0.00 H new ATOM 0 HA LYS A 85 15.214 -5.729 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.986 -8.667 7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.909 -8.076 5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.241 -6.651 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.423 -7.505 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.242 -9.684 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.224 -8.707 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.634 -7.975 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.415 -8.180 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.133 -9.859 9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.648 -10.587 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.828 -10.389 8.120 1.00 0.00 H new ATOM 1350 N HIS A 86 13.896 -6.563 4.363 1.00 0.00 N ATOM 1351 CA HIS A 86 12.964 -6.758 3.258 1.00 0.00 C ATOM 1352 C HIS A 86 11.814 -5.758 3.335 1.00 0.00 C ATOM 1353 O HIS A 86 10.643 -6.140 3.346 1.00 0.00 O ATOM 1354 CB HIS A 86 12.415 -8.186 3.272 1.00 0.00 C ATOM 1355 CG HIS A 86 13.395 -9.199 3.778 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.601 -9.453 3.160 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.342 -10.024 4.850 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.248 -10.390 3.829 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.505 -10.754 4.859 1.00 0.00 N ATOM 0 H HIS A 86 14.806 -6.195 4.087 1.00 0.00 H new ATOM 0 HA HIS A 86 13.504 -6.593 2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.520 -8.216 3.893 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.111 -8.460 2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.535 -10.095 5.565 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.219 -10.790 3.577 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.755 -11.462 5.549 1.00 0.00 H new ATOM 1368 N THR A 87 12.155 -4.474 3.388 1.00 0.00 N ATOM 1369 CA THR A 87 11.153 -3.419 3.466 1.00 0.00 C ATOM 1370 C THR A 87 11.305 -2.430 2.316 1.00 0.00 C ATOM 1371 O THR A 87 12.388 -2.284 1.749 1.00 0.00 O ATOM 1372 CB THR A 87 11.244 -2.655 4.800 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.937 -3.533 5.889 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.289 -1.471 4.812 1.00 0.00 C ATOM 0 H THR A 87 13.119 -4.140 3.378 1.00 0.00 H new ATOM 0 HA THR A 87 10.179 -3.903 3.399 1.00 0.00 H new ATOM 0 HB THR A 87 12.262 -2.281 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.761 -3.760 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.371 -0.947 5.764 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.543 -0.790 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.267 -1.827 4.681 1.00 0.00 H new ATOM 1382 N PHE A 88 10.214 -1.753 1.976 1.00 0.00 N ATOM 1383 CA PHE A 88 10.226 -0.777 0.892 1.00 0.00 C ATOM 1384 C PHE A 88 9.241 0.355 1.168 1.00 0.00 C ATOM 1385 O PHE A 88 8.129 0.124 1.643 1.00 0.00 O ATOM 1386 CB PHE A 88 9.884 -1.454 -0.436 1.00 0.00 C ATOM 1387 CG PHE A 88 8.578 -2.196 -0.411 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.443 -3.363 0.323 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.485 -1.727 -1.122 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.243 -4.049 0.347 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.283 -2.408 -1.102 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.161 -3.569 -0.365 1.00 0.00 C ATOM 0 H PHE A 88 9.310 -1.862 2.435 1.00 0.00 H new ATOM 0 HA PHE A 88 11.229 -0.354 0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.849 -0.699 -1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.683 -2.148 -0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.285 -3.741 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.574 -0.818 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.152 -4.959 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.440 -2.032 -1.662 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.221 -4.101 -0.345 1.00 0.00 H new ATOM 1402 N LYS A 89 9.658 1.580 0.869 1.00 0.00 N ATOM 1403 CA LYS A 89 8.814 2.750 1.083 1.00 0.00 C ATOM 1404 C LYS A 89 8.480 3.430 -0.241 1.00 0.00 C ATOM 1405 O LYS A 89 9.289 3.434 -1.169 1.00 0.00 O ATOM 1406 CB LYS A 89 9.510 3.742 2.017 1.00 0.00 C ATOM 1407 CG LYS A 89 10.639 4.513 1.354 1.00 0.00 C ATOM 1408 CD LYS A 89 11.972 3.803 1.522 1.00 0.00 C ATOM 1409 CE LYS A 89 12.962 4.214 0.443 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.517 5.574 0.688 1.00 0.00 N ATOM 0 H LYS A 89 10.576 1.789 0.477 1.00 0.00 H new ATOM 0 HA LYS A 89 7.884 2.417 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.773 4.449 2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.906 3.202 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.423 4.637 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.701 5.512 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.386 4.032 2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.818 2.725 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.777 3.491 0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.469 4.193 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.187 5.817 -0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.742 6.268 0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.009 5.588 1.604 1.00 0.00 H new ATOM 1424 N ALA A 90 7.285 4.005 -0.321 1.00 0.00 N ATOM 1425 CA ALA A 90 6.846 4.691 -1.530 1.00 0.00 C ATOM 1426 C ALA A 90 6.467 6.138 -1.234 1.00 0.00 C ATOM 1427 O ALA A 90 5.595 6.403 -0.406 1.00 0.00 O ATOM 1428 CB ALA A 90 5.673 3.954 -2.159 1.00 0.00 C ATOM 0 H ALA A 90 6.603 4.009 0.437 1.00 0.00 H new ATOM 0 HA ALA A 90 7.677 4.698 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.356 4.478 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.977 2.939 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.845 3.916 -1.451 1.00 0.00 H new ATOM 1434 N GLU A 91 7.128 7.069 -1.914 1.00 0.00 N ATOM 1435 CA GLU A 91 6.859 8.489 -1.721 1.00 0.00 C ATOM 1436 C GLU A 91 6.904 9.237 -3.050 1.00 0.00 C ATOM 1437 O GLU A 91 7.791 9.009 -3.874 1.00 0.00 O ATOM 1438 CB GLU A 91 7.873 9.095 -0.748 1.00 0.00 C ATOM 1439 CG GLU A 91 9.099 9.677 -1.431 1.00 0.00 C ATOM 1440 CD GLU A 91 9.971 8.614 -2.071 1.00 0.00 C ATOM 1441 OE1 GLU A 91 9.994 7.477 -1.555 1.00 0.00 O ATOM 1442 OE2 GLU A 91 10.629 8.919 -3.088 1.00 0.00 O ATOM 0 H GLU A 91 7.853 6.866 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 91 5.858 8.589 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.384 9.878 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.191 8.327 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.782 10.389 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.687 10.233 -0.701 1.00 0.00 H new ATOM 1449 N HIS A 92 5.942 10.132 -3.253 1.00 0.00 N ATOM 1450 CA HIS A 92 5.871 10.914 -4.482 1.00 0.00 C ATOM 1451 C HIS A 92 6.785 12.133 -4.403 1.00 0.00 C ATOM 1452 O HIS A 92 6.957 12.856 -5.384 1.00 0.00 O ATOM 1453 CB HIS A 92 4.432 11.356 -4.747 1.00 0.00 C ATOM 1454 CG HIS A 92 4.273 12.156 -6.003 1.00 0.00 C ATOM 1455 ND1 HIS A 92 4.565 11.852 -7.290 1.00 0.00 N flip ATOM 1456 CD2 HIS A 92 3.759 13.436 -6.021 1.00 0.00 C flip ATOM 1457 CE1 HIS A 92 4.225 12.941 -8.053 1.00 0.00 C flip ATOM 1458 NE2 HIS A 92 3.741 13.883 -7.264 1.00 0.00 N flip ATOM 0 H HIS A 92 5.201 10.334 -2.582 1.00 0.00 H new ATOM 0 HA HIS A 92 6.206 10.284 -5.306 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.794 10.474 -4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.081 11.948 -3.902 1.00 0.00 H new ATOM 0 HD2 HIS A 92 3.424 13.987 -5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.335 13.016 -9.125 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.410 14.800 -7.564 1.00 0.00 H new ATOM 1467 N ALA A 93 7.367 12.355 -3.230 1.00 0.00 N ATOM 1468 CA ALA A 93 8.264 13.486 -3.024 1.00 0.00 C ATOM 1469 C ALA A 93 7.498 14.805 -3.045 1.00 0.00 C ATOM 1470 O ALA A 93 7.821 15.709 -3.814 1.00 0.00 O ATOM 1471 CB ALA A 93 9.358 13.491 -4.081 1.00 0.00 C ATOM 0 H ALA A 93 7.234 11.767 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 93 8.724 13.379 -2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.020 14.341 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.931 12.566 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.908 13.570 -5.070 1.00 0.00 H new ATOM 1477 N GLY A 94 6.480 14.907 -2.196 1.00 0.00 N ATOM 1478 CA GLY A 94 5.684 16.119 -2.135 1.00 0.00 C ATOM 1479 C GLY A 94 4.396 15.928 -1.358 1.00 0.00 C ATOM 1480 O GLY A 94 3.791 16.896 -0.897 1.00 0.00 O ATOM 0 H GLY A 94 6.192 14.172 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.270 16.912 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.449 16.447 -3.148 1.00 0.00 H new ATOM 1484 N VAL A 95 3.974 14.676 -1.214 1.00 0.00 N ATOM 1485 CA VAL A 95 2.749 14.361 -0.488 1.00 0.00 C ATOM 1486 C VAL A 95 3.054 13.623 0.811 1.00 0.00 C ATOM 1487 O VAL A 95 2.663 14.062 1.892 1.00 0.00 O ATOM 1488 CB VAL A 95 1.796 13.503 -1.341 1.00 0.00 C ATOM 1489 CG1 VAL A 95 1.271 14.303 -2.523 1.00 0.00 C ATOM 1490 CG2 VAL A 95 2.497 12.237 -1.812 1.00 0.00 C ATOM 0 H VAL A 95 4.462 13.863 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 95 2.265 15.310 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 95 0.946 13.212 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.599 13.680 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.730 15.177 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.107 14.626 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.809 11.642 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.366 12.504 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.818 11.656 -0.948 1.00 0.00 H new ATOM 1500 N ARG A 96 3.756 12.501 0.697 1.00 0.00 N ATOM 1501 CA ARG A 96 4.114 11.701 1.862 1.00 0.00 C ATOM 1502 C ARG A 96 4.982 10.512 1.460 1.00 0.00 C ATOM 1503 O ARG A 96 5.296 10.328 0.284 1.00 0.00 O ATOM 1504 CB ARG A 96 2.854 11.208 2.575 1.00 0.00 C ATOM 1505 CG ARG A 96 2.135 10.090 1.838 1.00 0.00 C ATOM 1506 CD ARG A 96 0.638 10.118 2.107 1.00 0.00 C ATOM 1507 NE ARG A 96 0.322 9.733 3.480 1.00 0.00 N ATOM 1508 CZ ARG A 96 -0.889 9.848 4.015 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.891 10.335 3.297 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -1.098 9.476 5.271 1.00 0.00 N ATOM 0 H ARG A 96 4.089 12.125 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 96 4.685 12.332 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.124 10.860 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.169 12.046 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.315 10.184 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.543 9.128 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.253 11.119 1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.133 9.443 1.416 1.00 0.00 H new ATOM 0 HE ARG A 96 1.072 9.355 4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.734 10.623 2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.819 10.422 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.329 9.101 5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.028 9.565 5.681 1.00 0.00 H new ATOM 1524 N THR A 97 5.368 9.708 2.446 1.00 0.00 N ATOM 1525 CA THR A 97 6.200 8.538 2.196 1.00 0.00 C ATOM 1526 C THR A 97 5.676 7.319 2.947 1.00 0.00 C ATOM 1527 O THR A 97 5.848 7.204 4.161 1.00 0.00 O ATOM 1528 CB THR A 97 7.663 8.791 2.609 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.173 9.941 1.924 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.530 7.581 2.295 1.00 0.00 C ATOM 0 H THR A 97 5.118 9.846 3.425 1.00 0.00 H new ATOM 0 HA THR A 97 6.160 8.345 1.124 1.00 0.00 H new ATOM 0 HB THR A 97 7.689 8.968 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.103 10.096 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.558 7.783 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.156 6.714 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.498 7.378 1.225 1.00 0.00 H new ATOM 1538 N TYR A 98 5.036 6.412 2.218 1.00 0.00 N ATOM 1539 CA TYR A 98 4.485 5.201 2.816 1.00 0.00 C ATOM 1540 C TYR A 98 5.561 4.131 2.971 1.00 0.00 C ATOM 1541 O TYR A 98 6.603 4.183 2.317 1.00 0.00 O ATOM 1542 CB TYR A 98 3.334 4.664 1.964 1.00 0.00 C ATOM 1543 CG TYR A 98 2.055 5.457 2.104 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.304 5.401 3.272 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.597 6.264 1.069 1.00 0.00 C ATOM 1546 CE1 TYR A 98 0.134 6.124 3.404 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.429 6.991 1.193 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.299 6.917 2.363 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.464 7.639 2.491 1.00 0.00 O ATOM 0 H TYR A 98 4.886 6.492 1.212 1.00 0.00 H new ATOM 0 HA TYR A 98 4.107 5.455 3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.638 4.663 0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.141 3.628 2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.641 4.782 4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.164 6.324 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.438 6.068 4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.088 7.614 0.379 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.627 8.146 1.668 1.00 0.00 H new ATOM 1559 N PHE A 99 5.301 3.161 3.841 1.00 0.00 N ATOM 1560 CA PHE A 99 6.246 2.077 4.083 1.00 0.00 C ATOM 1561 C PHE A 99 5.534 0.728 4.100 1.00 0.00 C ATOM 1562 O PHE A 99 4.377 0.629 4.510 1.00 0.00 O ATOM 1563 CB PHE A 99 6.978 2.297 5.409 1.00 0.00 C ATOM 1564 CG PHE A 99 8.058 3.338 5.332 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.750 4.684 5.448 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.380 2.971 5.143 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.741 5.645 5.378 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.376 3.928 5.073 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.056 5.266 5.190 1.00 0.00 C ATOM 0 H PHE A 99 4.444 3.103 4.390 1.00 0.00 H new ATOM 0 HA PHE A 99 6.973 2.074 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.255 2.591 6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.416 1.353 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.723 4.986 5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.636 1.926 5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.488 6.691 5.470 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.403 3.629 4.927 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.832 6.015 5.135 1.00 0.00 H new ATOM 1579 N PHE A 100 6.233 -0.309 3.651 1.00 0.00 N ATOM 1580 CA PHE A 100 5.669 -1.653 3.613 1.00 0.00 C ATOM 1581 C PHE A 100 6.760 -2.706 3.778 1.00 0.00 C ATOM 1582 O PHE A 100 7.710 -2.759 2.998 1.00 0.00 O ATOM 1583 CB PHE A 100 4.922 -1.878 2.296 1.00 0.00 C ATOM 1584 CG PHE A 100 4.065 -0.715 1.887 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.879 -0.444 2.550 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.444 0.107 0.838 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.087 0.626 2.177 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.657 1.179 0.460 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.476 1.437 1.129 1.00 0.00 C ATOM 0 H PHE A 100 7.191 -0.244 3.308 1.00 0.00 H new ATOM 0 HA PHE A 100 4.968 -1.749 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.646 -2.081 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.296 -2.765 2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.569 -1.077 3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.365 -0.092 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.166 0.827 2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.965 1.814 -0.357 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.858 2.272 0.833 1.00 0.00 H new ATOM 1599 N SER A 101 6.616 -3.543 4.801 1.00 0.00 N ATOM 1600 CA SER A 101 7.591 -4.593 5.073 1.00 0.00 C ATOM 1601 C SER A 101 7.051 -5.957 4.655 1.00 0.00 C ATOM 1602 O SER A 101 5.840 -6.160 4.576 1.00 0.00 O ATOM 1603 CB SER A 101 7.954 -4.609 6.559 1.00 0.00 C ATOM 1604 OG SER A 101 8.680 -5.779 6.894 1.00 0.00 O ATOM 0 H SER A 101 5.834 -3.514 5.455 1.00 0.00 H new ATOM 0 HA SER A 101 8.487 -4.382 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.547 -3.727 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.046 -4.557 7.159 1.00 0.00 H new ATOM 0 HG SER A 101 9.636 -5.625 6.744 1.00 0.00 H new ATOM 1610 N ALA A 102 7.960 -6.889 4.388 1.00 0.00 N ATOM 1611 CA ALA A 102 7.577 -8.235 3.980 1.00 0.00 C ATOM 1612 C ALA A 102 8.254 -9.287 4.851 1.00 0.00 C ATOM 1613 O ALA A 102 9.400 -9.117 5.266 1.00 0.00 O ATOM 1614 CB ALA A 102 7.920 -8.460 2.514 1.00 0.00 C ATOM 0 H ALA A 102 8.967 -6.737 4.447 1.00 0.00 H new ATOM 0 HA ALA A 102 6.499 -8.334 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.629 -9.469 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.384 -7.736 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.993 -8.336 2.368 1.00 0.00 H new ATOM 1620 N GLU A 103 7.538 -10.373 5.125 1.00 0.00 N ATOM 1621 CA GLU A 103 8.071 -11.452 5.949 1.00 0.00 C ATOM 1622 C GLU A 103 9.271 -12.109 5.274 1.00 0.00 C ATOM 1623 O GLU A 103 10.232 -12.501 5.937 1.00 0.00 O ATOM 1624 CB GLU A 103 6.989 -12.498 6.221 1.00 0.00 C ATOM 1625 CG GLU A 103 5.827 -11.971 7.046 1.00 0.00 C ATOM 1626 CD GLU A 103 4.779 -13.032 7.322 1.00 0.00 C ATOM 1627 OE1 GLU A 103 4.978 -13.835 8.258 1.00 0.00 O ATOM 1628 OE2 GLU A 103 3.759 -13.059 6.602 1.00 0.00 O ATOM 0 H GLU A 103 6.588 -10.529 4.789 1.00 0.00 H new ATOM 0 HA GLU A 103 8.398 -11.024 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.609 -12.871 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.437 -13.346 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.204 -11.584 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.363 -11.135 6.522 1.00 0.00 H new ATOM 1635 N SER A 104 9.208 -12.227 3.951 1.00 0.00 N ATOM 1636 CA SER A 104 10.287 -12.842 3.186 1.00 0.00 C ATOM 1637 C SER A 104 10.797 -11.891 2.108 1.00 0.00 C ATOM 1638 O SER A 104 10.076 -11.020 1.620 1.00 0.00 O ATOM 1639 CB SER A 104 9.809 -14.147 2.547 1.00 0.00 C ATOM 1640 OG SER A 104 8.734 -13.913 1.653 1.00 0.00 O ATOM 0 H SER A 104 8.422 -11.905 3.387 1.00 0.00 H new ATOM 0 HA SER A 104 11.106 -13.061 3.871 1.00 0.00 H new ATOM 0 HB2 SER A 104 10.634 -14.618 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 104 9.494 -14.843 3.325 1.00 0.00 H new ATOM 0 HG SER A 104 8.448 -14.762 1.256 1.00 0.00 H new ATOM 1646 N PRO A 105 12.071 -12.061 1.725 1.00 0.00 N ATOM 1647 CA PRO A 105 12.708 -11.229 0.699 1.00 0.00 C ATOM 1648 C PRO A 105 12.151 -11.498 -0.694 1.00 0.00 C ATOM 1649 O PRO A 105 12.199 -10.634 -1.569 1.00 0.00 O ATOM 1650 CB PRO A 105 14.181 -11.638 0.775 1.00 0.00 C ATOM 1651 CG PRO A 105 14.162 -13.022 1.324 1.00 0.00 C ATOM 1652 CD PRO A 105 12.989 -13.079 2.263 1.00 0.00 C ATOM 0 HA PRO A 105 12.537 -10.166 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.651 -11.608 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.746 -10.964 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.059 -13.757 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.092 -13.247 1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.531 -14.068 2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.283 -12.853 3.288 1.00 0.00 H new ATOM 1660 N GLU A 106 11.621 -12.701 -0.892 1.00 0.00 N ATOM 1661 CA GLU A 106 11.055 -13.083 -2.181 1.00 0.00 C ATOM 1662 C GLU A 106 9.753 -12.333 -2.447 1.00 0.00 C ATOM 1663 O GLU A 106 9.286 -12.265 -3.583 1.00 0.00 O ATOM 1664 CB GLU A 106 10.806 -14.592 -2.226 1.00 0.00 C ATOM 1665 CG GLU A 106 12.060 -15.409 -2.486 1.00 0.00 C ATOM 1666 CD GLU A 106 12.313 -15.637 -3.963 1.00 0.00 C ATOM 1667 OE1 GLU A 106 12.444 -14.640 -4.704 1.00 0.00 O ATOM 1668 OE2 GLU A 106 12.380 -16.813 -4.379 1.00 0.00 O ATOM 0 H GLU A 106 11.572 -13.427 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 106 11.772 -12.817 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.367 -14.907 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.074 -14.808 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.918 -14.899 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.972 -16.372 -1.984 1.00 0.00 H new ATOM 1675 N GLU A 107 9.173 -11.773 -1.390 1.00 0.00 N ATOM 1676 CA GLU A 107 7.925 -11.030 -1.509 1.00 0.00 C ATOM 1677 C GLU A 107 8.195 -9.549 -1.763 1.00 0.00 C ATOM 1678 O GLU A 107 7.592 -8.941 -2.647 1.00 0.00 O ATOM 1679 CB GLU A 107 7.083 -11.195 -0.242 1.00 0.00 C ATOM 1680 CG GLU A 107 6.261 -12.473 -0.219 1.00 0.00 C ATOM 1681 CD GLU A 107 5.009 -12.346 0.626 1.00 0.00 C ATOM 1682 OE1 GLU A 107 4.140 -11.519 0.280 1.00 0.00 O ATOM 1683 OE2 GLU A 107 4.899 -13.074 1.635 1.00 0.00 O ATOM 0 H GLU A 107 9.548 -11.820 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 107 7.373 -11.433 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.742 -11.181 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.413 -10.340 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.981 -12.739 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.874 -13.288 0.166 1.00 0.00 H new ATOM 1690 N GLN A 108 9.105 -8.977 -0.982 1.00 0.00 N ATOM 1691 CA GLN A 108 9.454 -7.568 -1.121 1.00 0.00 C ATOM 1692 C GLN A 108 9.843 -7.244 -2.560 1.00 0.00 C ATOM 1693 O GLN A 108 9.239 -6.382 -3.196 1.00 0.00 O ATOM 1694 CB GLN A 108 10.603 -7.210 -0.177 1.00 0.00 C ATOM 1695 CG GLN A 108 11.155 -5.811 -0.394 1.00 0.00 C ATOM 1696 CD GLN A 108 12.621 -5.697 -0.023 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.385 -6.651 -0.170 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.020 -4.527 0.461 1.00 0.00 N ATOM 0 H GLN A 108 9.614 -9.467 -0.246 1.00 0.00 H new ATOM 0 HA GLN A 108 8.578 -6.975 -0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.257 -7.299 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.408 -7.933 -0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.026 -5.532 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.578 -5.101 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.352 -3.764 0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.995 -4.391 0.728 1.00 0.00 H new ATOM 1707 N GLU A 109 10.857 -7.940 -3.065 1.00 0.00 N ATOM 1708 CA GLU A 109 11.327 -7.725 -4.428 1.00 0.00 C ATOM 1709 C GLU A 109 10.194 -7.922 -5.432 1.00 0.00 C ATOM 1710 O GLU A 109 9.975 -7.087 -6.309 1.00 0.00 O ATOM 1711 CB GLU A 109 12.481 -8.677 -4.751 1.00 0.00 C ATOM 1712 CG GLU A 109 12.029 -10.004 -5.335 1.00 0.00 C ATOM 1713 CD GLU A 109 13.191 -10.886 -5.747 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.783 -10.626 -6.816 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.509 -11.836 -5.002 1.00 0.00 O ATOM 0 H GLU A 109 11.368 -8.657 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 109 11.682 -6.697 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.156 -8.191 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.051 -8.865 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.420 -10.531 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.394 -9.818 -6.201 1.00 0.00 H new ATOM 1722 N ALA A 110 9.479 -9.034 -5.296 1.00 0.00 N ATOM 1723 CA ALA A 110 8.368 -9.341 -6.189 1.00 0.00 C ATOM 1724 C ALA A 110 7.346 -8.210 -6.203 1.00 0.00 C ATOM 1725 O ALA A 110 6.855 -7.818 -7.262 1.00 0.00 O ATOM 1726 CB ALA A 110 7.707 -10.648 -5.778 1.00 0.00 C ATOM 0 H ALA A 110 9.649 -9.737 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 110 8.764 -9.449 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.879 -10.865 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.437 -11.456 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.331 -10.561 -4.759 1.00 0.00 H new ATOM 1732 N TRP A 111 7.029 -7.691 -5.023 1.00 0.00 N ATOM 1733 CA TRP A 111 6.064 -6.605 -4.900 1.00 0.00 C ATOM 1734 C TRP A 111 6.528 -5.374 -5.672 1.00 0.00 C ATOM 1735 O TRP A 111 5.791 -4.833 -6.496 1.00 0.00 O ATOM 1736 CB TRP A 111 5.850 -6.248 -3.428 1.00 0.00 C ATOM 1737 CG TRP A 111 4.740 -7.023 -2.785 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.865 -8.021 -1.861 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.336 -6.863 -3.018 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.623 -8.492 -1.507 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.669 -7.797 -2.202 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.578 -6.020 -3.835 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.282 -7.911 -2.182 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.201 -6.134 -3.815 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.564 -7.073 -2.992 1.00 0.00 C ATOM 0 H TRP A 111 7.426 -8.005 -4.137 1.00 0.00 H new ATOM 0 HA TRP A 111 5.119 -6.943 -5.325 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.775 -6.428 -2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.634 -5.183 -3.347 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.802 -8.386 -1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.441 -9.238 -0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.060 -5.292 -4.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.790 -8.635 -1.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.606 -5.489 -4.444 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.514 -7.137 -2.997 1.00 0.00 H new ATOM 1756 N ILE A 112 7.753 -4.937 -5.398 1.00 0.00 N ATOM 1757 CA ILE A 112 8.314 -3.771 -6.069 1.00 0.00 C ATOM 1758 C ILE A 112 8.153 -3.876 -7.582 1.00 0.00 C ATOM 1759 O ILE A 112 7.771 -2.910 -8.242 1.00 0.00 O ATOM 1760 CB ILE A 112 9.807 -3.594 -5.734 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.975 -3.106 -4.294 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.456 -2.621 -6.708 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.395 -3.209 -3.783 1.00 0.00 C ATOM 0 H ILE A 112 8.375 -5.372 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 112 7.763 -2.903 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 112 10.303 -4.560 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.649 -2.068 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.320 -3.686 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.511 -2.506 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.363 -3.006 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.960 -1.653 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.439 -2.846 -2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.718 -4.249 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.052 -2.606 -4.410 1.00 0.00 H new ATOM 1775 N GLN A 113 8.444 -5.054 -8.122 1.00 0.00 N ATOM 1776 CA GLN A 113 8.330 -5.285 -9.557 1.00 0.00 C ATOM 1777 C GLN A 113 6.979 -4.807 -10.080 1.00 0.00 C ATOM 1778 O GLN A 113 6.897 -4.184 -11.138 1.00 0.00 O ATOM 1779 CB GLN A 113 8.516 -6.770 -9.873 1.00 0.00 C ATOM 1780 CG GLN A 113 9.867 -7.319 -9.441 1.00 0.00 C ATOM 1781 CD GLN A 113 10.343 -8.456 -10.323 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.803 -9.562 -10.277 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.361 -8.190 -11.133 1.00 0.00 N ATOM 0 H GLN A 113 8.760 -5.863 -7.588 1.00 0.00 H new ATOM 0 HA GLN A 113 9.114 -4.714 -10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.727 -7.339 -9.381 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.397 -6.922 -10.946 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.604 -6.516 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.801 -7.667 -8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.779 -7.259 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.725 -8.916 -11.750 1.00 0.00 H new ATOM 1792 N ALA A 114 5.922 -5.104 -9.331 1.00 0.00 N ATOM 1793 CA ALA A 114 4.575 -4.704 -9.717 1.00 0.00 C ATOM 1794 C ALA A 114 4.295 -3.260 -9.315 1.00 0.00 C ATOM 1795 O ALA A 114 3.917 -2.436 -10.148 1.00 0.00 O ATOM 1796 CB ALA A 114 3.548 -5.636 -9.093 1.00 0.00 C ATOM 0 H ALA A 114 5.973 -5.621 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 114 4.499 -4.773 -10.802 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.546 -5.325 -9.390 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.727 -6.656 -9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.633 -5.596 -8.007 1.00 0.00 H new ATOM 1802 N MET A 115 4.482 -2.960 -8.034 1.00 0.00 N ATOM 1803 CA MET A 115 4.249 -1.615 -7.522 1.00 0.00 C ATOM 1804 C MET A 115 5.126 -0.598 -8.247 1.00 0.00 C ATOM 1805 O MET A 115 4.624 0.311 -8.905 1.00 0.00 O ATOM 1806 CB MET A 115 4.525 -1.563 -6.018 1.00 0.00 C ATOM 1807 CG MET A 115 3.336 -1.977 -5.168 1.00 0.00 C ATOM 1808 SD MET A 115 3.389 -1.272 -3.509 1.00 0.00 S ATOM 1809 CE MET A 115 2.956 -2.702 -2.520 1.00 0.00 C ATOM 0 H MET A 115 4.794 -3.630 -7.332 1.00 0.00 H new ATOM 0 HA MET A 115 3.204 -1.361 -7.701 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.369 -2.214 -5.789 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.821 -0.550 -5.746 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.415 -1.666 -5.662 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.307 -3.064 -5.096 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.773 -2.391 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 115 2.056 -3.165 -2.925 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.775 -3.421 -2.541 1.00 0.00 H new ATOM 1819 N GLY A 116 6.440 -0.760 -8.121 1.00 0.00 N ATOM 1820 CA GLY A 116 7.365 0.152 -8.769 1.00 0.00 C ATOM 1821 C GLY A 116 6.946 0.493 -10.185 1.00 0.00 C ATOM 1822 O GLY A 116 6.915 1.663 -10.564 1.00 0.00 O ATOM 0 H GLY A 116 6.880 -1.506 -7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.437 1.069 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.359 -0.294 -8.785 1.00 0.00 H new ATOM 1826 N GLU A 117 6.625 -0.532 -10.969 1.00 0.00 N ATOM 1827 CA GLU A 117 6.208 -0.333 -12.352 1.00 0.00 C ATOM 1828 C GLU A 117 4.861 0.381 -12.418 1.00 0.00 C ATOM 1829 O GLU A 117 4.727 1.416 -13.069 1.00 0.00 O ATOM 1830 CB GLU A 117 6.122 -1.677 -13.080 1.00 0.00 C ATOM 1831 CG GLU A 117 7.477 -2.257 -13.448 1.00 0.00 C ATOM 1832 CD GLU A 117 7.364 -3.520 -14.279 1.00 0.00 C ATOM 1833 OE1 GLU A 117 6.432 -4.314 -14.028 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.206 -3.716 -15.180 1.00 0.00 O ATOM 0 H GLU A 117 6.646 -1.507 -10.670 1.00 0.00 H new ATOM 0 HA GLU A 117 6.954 0.292 -12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.591 -2.389 -12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.531 -1.552 -13.987 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.049 -1.512 -14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.035 -2.474 -12.537 1.00 0.00 H new ATOM 1841 N ALA A 118 3.867 -0.182 -11.739 1.00 0.00 N ATOM 1842 CA ALA A 118 2.530 0.401 -11.718 1.00 0.00 C ATOM 1843 C ALA A 118 2.574 1.858 -11.270 1.00 0.00 C ATOM 1844 O ALA A 118 1.609 2.601 -11.449 1.00 0.00 O ATOM 1845 CB ALA A 118 1.617 -0.407 -10.809 1.00 0.00 C ATOM 0 H ALA A 118 3.962 -1.041 -11.196 1.00 0.00 H new ATOM 0 HA ALA A 118 2.131 0.373 -12.732 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.623 0.039 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.553 -1.432 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.020 -0.409 -9.796 1.00 0.00 H new ATOM 1851 N ALA A 119 3.698 2.259 -10.686 1.00 0.00 N ATOM 1852 CA ALA A 119 3.867 3.628 -10.214 1.00 0.00 C ATOM 1853 C ALA A 119 4.380 4.534 -11.328 1.00 0.00 C ATOM 1854 O ALA A 119 3.924 5.668 -11.478 1.00 0.00 O ATOM 1855 CB ALA A 119 4.815 3.662 -9.024 1.00 0.00 C ATOM 0 H ALA A 119 4.505 1.656 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 119 2.892 4.001 -9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.932 4.690 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.407 3.055 -8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.786 3.265 -9.321 1.00 0.00 H new ATOM 1861 N ARG A 120 5.330 4.027 -12.106 1.00 0.00 N ATOM 1862 CA ARG A 120 5.907 4.792 -13.205 1.00 0.00 C ATOM 1863 C ARG A 120 4.818 5.510 -13.997 1.00 0.00 C ATOM 1864 O ARG A 120 3.638 5.174 -13.896 1.00 0.00 O ATOM 1865 CB ARG A 120 6.704 3.873 -14.131 1.00 0.00 C ATOM 1866 CG ARG A 120 8.111 3.581 -13.636 1.00 0.00 C ATOM 1867 CD ARG A 120 8.693 2.346 -14.306 1.00 0.00 C ATOM 1868 NE ARG A 120 9.180 2.632 -15.652 1.00 0.00 N ATOM 1869 CZ ARG A 120 10.247 3.382 -15.903 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.935 3.919 -14.905 1.00 0.00 N ATOM 1871 NH2 ARG A 120 10.629 3.597 -17.156 1.00 0.00 N ATOM 0 H ARG A 120 5.717 3.090 -11.996 1.00 0.00 H new ATOM 0 HA ARG A 120 6.578 5.540 -12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.166 2.932 -14.246 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.763 4.329 -15.119 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.753 4.440 -13.833 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.095 3.437 -12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.511 1.956 -13.700 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.932 1.567 -14.354 1.00 0.00 H new ATOM 0 HE ARG A 120 8.673 2.234 -16.443 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.645 3.757 -13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.754 4.494 -15.102 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.103 3.186 -17.927 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.449 4.173 -17.348 1.00 0.00 H new