USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 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 38 TYR OH : rot -157:sc= 0.394 USER MOD Set 1.2: A 39 GLN : amide:sc= -3.76 K(o=-4.4,f=-7!) USER MOD Set 1.3: A 84 GLN : amide:sc= -1.04 K(o=-4.4,f=-6.5) USER MOD Set 2.1: A 57 MET CE :methyl -123:sc= -0.273 (180deg=-2.35!) USER MOD Set 2.2: A 65 CYS SG : rot -47:sc= 0.433 USER MOD Set 3.1: A 25 GLN : amide:sc= -0.152 K(o=0.73,f=-0.55) USER MOD Set 3.2: A 63 CYS SG : rot -21:sc= 0.877 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 28 SER OG : rot 180:sc= 0.151 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.31 K(o=-2.3,f=-1.6) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 1.15 K(o=1.2,f=-0.023) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot -30:sc= -1.28 USER MOD Single : A 48 SER OG : rot 62:sc= 0.196 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 114:sc= -0.119 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.105 K(o=-0.11,f=-2.1!) USER MOD Single : A 80 GLN : amide:sc= -2.55 K(o=-2.6,f=-5!) USER MOD Single : A 82 HIS : no HD1:sc= -0.918 X(o=-0.92,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 203 N ALA A 17 -3.799 11.689 26.972 1.00 0.00 N ATOM 204 CA ALA A 17 -4.240 12.791 26.125 1.00 0.00 C ATOM 205 C ALA A 17 -4.632 14.004 26.962 1.00 0.00 C ATOM 206 O ALA A 17 -5.308 13.873 27.983 1.00 0.00 O ATOM 207 CB ALA A 17 -5.406 12.351 25.251 1.00 0.00 C ATOM 0 HA ALA A 17 -3.407 13.079 25.483 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.725 13.183 24.624 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.094 11.520 24.619 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.235 12.034 25.883 1.00 0.00 H new ATOM 213 N SER A 18 -4.204 15.183 26.524 1.00 0.00 N ATOM 214 CA SER A 18 -4.507 16.419 27.236 1.00 0.00 C ATOM 215 C SER A 18 -6.012 16.657 27.295 1.00 0.00 C ATOM 216 O SER A 18 -6.497 17.432 28.119 1.00 0.00 O ATOM 217 CB SER A 18 -3.817 17.605 26.558 1.00 0.00 C ATOM 218 OG SER A 18 -3.509 18.620 27.497 1.00 0.00 O ATOM 0 H SER A 18 -3.646 15.309 25.679 1.00 0.00 H new ATOM 0 HA SER A 18 -4.132 16.324 28.255 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.903 17.267 26.070 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.464 18.010 25.779 1.00 0.00 H new ATOM 0 HG SER A 18 -3.068 19.366 27.040 1.00 0.00 H new ATOM 224 N TRP A 19 -6.746 15.985 26.415 1.00 0.00 N ATOM 225 CA TRP A 19 -8.197 16.123 26.366 1.00 0.00 C ATOM 226 C TRP A 19 -8.881 14.846 26.840 1.00 0.00 C ATOM 227 O TRP A 19 -10.065 14.629 26.576 1.00 0.00 O ATOM 228 CB TRP A 19 -8.650 16.462 24.944 1.00 0.00 C ATOM 229 CG TRP A 19 -7.977 15.632 23.893 1.00 0.00 C ATOM 230 CD1 TRP A 19 -6.837 15.944 23.208 1.00 0.00 C ATOM 231 CD2 TRP A 19 -8.403 14.355 23.406 1.00 0.00 C ATOM 232 NE1 TRP A 19 -6.530 14.938 22.324 1.00 0.00 N ATOM 233 CE2 TRP A 19 -7.474 13.951 22.427 1.00 0.00 C ATOM 234 CE3 TRP A 19 -9.478 13.513 23.703 1.00 0.00 C ATOM 235 CZ2 TRP A 19 -7.590 12.743 21.745 1.00 0.00 C ATOM 236 CZ3 TRP A 19 -9.592 12.314 23.025 1.00 0.00 C ATOM 237 CH2 TRP A 19 -8.652 11.938 22.056 1.00 0.00 C ATOM 0 H TRP A 19 -6.360 15.339 25.726 1.00 0.00 H new ATOM 0 HA TRP A 19 -8.483 16.935 27.034 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -9.729 16.323 24.871 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -8.450 17.515 24.748 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.262 16.848 23.342 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.729 14.928 21.693 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -10.207 13.794 24.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -6.868 12.451 20.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -10.419 11.656 23.246 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.768 10.994 21.544 1.00 0.00 H new ATOM 248 N LEU A 20 -8.131 14.003 27.540 1.00 0.00 N ATOM 249 CA LEU A 20 -8.666 12.746 28.052 1.00 0.00 C ATOM 250 C LEU A 20 -8.893 12.823 29.558 1.00 0.00 C ATOM 251 O LEU A 20 -7.966 13.082 30.324 1.00 0.00 O ATOM 252 CB LEU A 20 -7.713 11.593 27.727 1.00 0.00 C ATOM 253 CG LEU A 20 -8.158 10.651 26.608 1.00 0.00 C ATOM 254 CD1 LEU A 20 -7.125 9.555 26.392 1.00 0.00 C ATOM 255 CD2 LEU A 20 -9.518 10.048 26.927 1.00 0.00 C ATOM 0 H LEU A 20 -7.150 14.167 27.766 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.625 12.565 27.568 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.744 12.014 27.457 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.564 11.005 28.632 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.246 11.227 25.687 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.458 8.894 25.592 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.170 10.004 26.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.006 8.981 27.311 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.818 9.380 26.119 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.457 9.486 27.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.254 10.845 27.031 1.00 0.00 H new ATOM 267 N GLY A 21 -10.134 12.595 29.977 1.00 0.00 N ATOM 268 CA GLY A 21 -10.461 12.641 31.390 1.00 0.00 C ATOM 269 C GLY A 21 -11.371 13.803 31.737 1.00 0.00 C ATOM 270 O GLY A 21 -12.013 13.805 32.786 1.00 0.00 O ATOM 0 H GLY A 21 -10.919 12.379 29.363 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.943 11.707 31.679 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.541 12.718 31.970 1.00 0.00 H new ATOM 274 N GLU A 22 -11.425 14.795 30.853 1.00 0.00 N ATOM 275 CA GLU A 22 -12.261 15.969 31.073 1.00 0.00 C ATOM 276 C GLU A 22 -13.268 16.141 29.939 1.00 0.00 C ATOM 277 O GLU A 22 -12.961 15.871 28.778 1.00 0.00 O ATOM 278 CB GLU A 22 -11.395 17.224 31.195 1.00 0.00 C ATOM 279 CG GLU A 22 -12.131 18.417 31.781 1.00 0.00 C ATOM 280 CD GLU A 22 -12.378 18.277 33.271 1.00 0.00 C ATOM 281 OE1 GLU A 22 -12.116 17.183 33.814 1.00 0.00 O ATOM 282 OE2 GLU A 22 -12.832 19.260 33.892 1.00 0.00 O ATOM 0 H GLU A 22 -10.900 14.809 29.979 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.809 15.823 32.004 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.530 16.999 31.819 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.016 17.491 30.209 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.553 19.322 31.596 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.085 18.538 31.268 1.00 0.00 H new ATOM 289 N GLN A 23 -14.469 16.590 30.285 1.00 0.00 N ATOM 290 CA GLN A 23 -15.521 16.796 29.297 1.00 0.00 C ATOM 291 C GLN A 23 -15.085 17.805 28.239 1.00 0.00 C ATOM 292 O GLN A 23 -14.161 18.593 28.442 1.00 0.00 O ATOM 293 CB GLN A 23 -16.804 17.277 29.978 1.00 0.00 C ATOM 294 CG GLN A 23 -17.746 16.149 30.366 1.00 0.00 C ATOM 295 CD GLN A 23 -19.019 16.650 31.020 1.00 0.00 C ATOM 296 OE1 GLN A 23 -19.586 17.662 30.606 1.00 0.00 O ATOM 297 NE2 GLN A 23 -19.474 15.944 32.047 1.00 0.00 N ATOM 0 H GLN A 23 -14.738 16.818 31.242 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.714 15.842 28.806 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.541 17.843 30.872 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -17.326 17.961 29.309 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -18.002 15.572 29.477 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -17.234 15.472 31.049 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.972 15.112 32.356 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.326 16.233 32.527 1.00 0.00 H new ATOM 306 N PRO A 24 -15.763 17.781 27.082 1.00 0.00 N ATOM 307 CA PRO A 24 -15.463 18.688 25.970 1.00 0.00 C ATOM 308 C PRO A 24 -15.845 20.131 26.279 1.00 0.00 C ATOM 309 O PRO A 24 -15.519 21.044 25.521 1.00 0.00 O ATOM 310 CB PRO A 24 -16.319 18.140 24.825 1.00 0.00 C ATOM 311 CG PRO A 24 -17.444 17.433 25.499 1.00 0.00 C ATOM 312 CD PRO A 24 -16.876 16.869 26.772 1.00 0.00 C ATOM 0 HA PRO A 24 -14.397 18.720 25.746 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.683 18.943 24.184 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.747 17.461 24.193 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.266 18.118 25.708 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.843 16.641 24.865 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.617 16.854 27.571 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.530 15.844 26.638 1.00 0.00 H new ATOM 320 N GLN A 25 -16.539 20.329 27.395 1.00 0.00 N ATOM 321 CA GLN A 25 -16.966 21.662 27.802 1.00 0.00 C ATOM 322 C GLN A 25 -15.865 22.371 28.583 1.00 0.00 C ATOM 323 O GLN A 25 -15.822 23.601 28.639 1.00 0.00 O ATOM 324 CB GLN A 25 -18.236 21.577 28.651 1.00 0.00 C ATOM 325 CG GLN A 25 -19.287 20.639 28.081 1.00 0.00 C ATOM 326 CD GLN A 25 -20.666 21.267 28.035 1.00 0.00 C ATOM 327 OE1 GLN A 25 -20.812 22.452 27.733 1.00 0.00 O ATOM 328 NE2 GLN A 25 -21.688 20.475 28.336 1.00 0.00 N ATOM 0 H GLN A 25 -16.817 19.584 28.033 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.177 22.239 26.902 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.971 21.245 29.655 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.665 22.574 28.748 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.994 20.340 27.074 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.325 19.732 28.684 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.522 19.499 28.581 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.639 20.843 28.323 1.00 0.00 H new ATOM 337 N PHE A 26 -14.975 21.589 29.185 1.00 0.00 N ATOM 338 CA PHE A 26 -13.874 22.143 29.965 1.00 0.00 C ATOM 339 C PHE A 26 -12.540 21.912 29.261 1.00 0.00 C ATOM 340 O PHE A 26 -11.561 21.500 29.883 1.00 0.00 O ATOM 341 CB PHE A 26 -13.843 21.515 31.360 1.00 0.00 C ATOM 342 CG PHE A 26 -15.121 21.696 32.127 1.00 0.00 C ATOM 343 CD1 PHE A 26 -16.173 20.809 31.965 1.00 0.00 C ATOM 344 CD2 PHE A 26 -15.271 22.752 33.012 1.00 0.00 C ATOM 345 CE1 PHE A 26 -17.351 20.973 32.669 1.00 0.00 C ATOM 346 CE2 PHE A 26 -16.446 22.921 33.719 1.00 0.00 C ATOM 347 CZ PHE A 26 -17.487 22.030 33.548 1.00 0.00 C ATOM 0 H PHE A 26 -14.995 20.570 29.148 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.033 23.217 30.061 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.633 20.450 31.266 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.022 21.952 31.929 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.071 19.980 31.281 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.460 23.451 33.151 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -18.164 20.276 32.532 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.550 23.749 34.405 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.406 22.159 34.101 1.00 0.00 H new ATOM 357 N TRP A 27 -12.510 22.181 27.961 1.00 0.00 N ATOM 358 CA TRP A 27 -11.297 22.003 27.171 1.00 0.00 C ATOM 359 C TRP A 27 -10.555 23.325 27.006 1.00 0.00 C ATOM 360 O TRP A 27 -11.141 24.398 27.149 1.00 0.00 O ATOM 361 CB TRP A 27 -11.637 21.420 25.799 1.00 0.00 C ATOM 362 CG TRP A 27 -11.780 19.928 25.806 1.00 0.00 C ATOM 363 CD1 TRP A 27 -11.763 19.108 26.898 1.00 0.00 C ATOM 364 CD2 TRP A 27 -11.959 19.079 24.667 1.00 0.00 C ATOM 365 NE1 TRP A 27 -11.921 17.800 26.506 1.00 0.00 N ATOM 366 CE2 TRP A 27 -12.044 17.756 25.143 1.00 0.00 C ATOM 367 CE3 TRP A 27 -12.058 19.308 23.292 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -12.222 16.669 24.291 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -12.234 18.228 22.448 1.00 0.00 C ATOM 370 CH2 TRP A 27 -12.316 16.922 22.950 1.00 0.00 C ATOM 0 H TRP A 27 -13.312 22.523 27.431 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.647 21.307 27.702 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -12.566 21.865 25.443 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -10.858 21.700 25.090 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -11.643 19.439 27.919 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -11.943 16.993 27.129 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.998 20.311 22.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -12.284 15.662 24.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.310 18.393 21.383 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.456 16.099 22.265 1.00 0.00 H new ATOM 381 N SER A 28 -9.264 23.240 26.704 1.00 0.00 N ATOM 382 CA SER A 28 -8.442 24.431 26.523 1.00 0.00 C ATOM 383 C SER A 28 -8.161 24.677 25.043 1.00 0.00 C ATOM 384 O SER A 28 -8.403 23.813 24.201 1.00 0.00 O ATOM 385 CB SER A 28 -7.124 24.288 27.287 1.00 0.00 C ATOM 386 OG SER A 28 -6.099 23.786 26.447 1.00 0.00 O ATOM 0 H SER A 28 -8.764 22.359 26.579 1.00 0.00 H new ATOM 0 HA SER A 28 -8.992 25.285 26.918 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.827 25.256 27.690 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.263 23.619 28.136 1.00 0.00 H new ATOM 0 HG SER A 28 -5.267 23.705 26.959 1.00 0.00 H new ATOM 392 N LYS A 29 -7.648 25.863 24.735 1.00 0.00 N ATOM 393 CA LYS A 29 -7.331 26.226 23.358 1.00 0.00 C ATOM 394 C LYS A 29 -6.357 25.227 22.742 1.00 0.00 C ATOM 395 O LYS A 29 -6.328 25.041 21.525 1.00 0.00 O ATOM 396 CB LYS A 29 -6.736 27.635 23.304 1.00 0.00 C ATOM 397 CG LYS A 29 -7.777 28.738 23.367 1.00 0.00 C ATOM 398 CD LYS A 29 -7.268 29.942 24.142 1.00 0.00 C ATOM 399 CE LYS A 29 -8.337 31.016 24.270 1.00 0.00 C ATOM 400 NZ LYS A 29 -8.210 32.055 23.210 1.00 0.00 N ATOM 0 H LYS A 29 -7.443 26.590 25.420 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.256 26.207 22.782 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.039 27.758 24.133 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.161 27.742 22.384 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.047 29.043 22.356 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.683 28.358 23.838 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.946 29.627 25.135 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.393 30.356 23.640 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.323 30.556 24.211 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.263 31.487 25.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.957 32.769 23.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.279 32.512 23.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.306 31.610 22.275 1.00 0.00 H new ATOM 414 N THR A 30 -5.561 24.583 23.591 1.00 0.00 N ATOM 415 CA THR A 30 -4.587 23.602 23.130 1.00 0.00 C ATOM 416 C THR A 30 -5.222 22.225 22.978 1.00 0.00 C ATOM 417 O THR A 30 -4.996 21.534 21.985 1.00 0.00 O ATOM 418 CB THR A 30 -3.392 23.500 24.097 1.00 0.00 C ATOM 419 OG1 THR A 30 -2.997 24.807 24.527 1.00 0.00 O ATOM 420 CG2 THR A 30 -2.216 22.802 23.432 1.00 0.00 C ATOM 0 H THR A 30 -5.572 24.724 24.601 1.00 0.00 H new ATOM 0 HA THR A 30 -4.231 23.943 22.158 1.00 0.00 H new ATOM 0 HB THR A 30 -3.701 22.912 24.961 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.238 24.733 25.143 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.384 22.742 24.134 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.512 21.797 23.133 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.908 23.367 22.552 1.00 0.00 H new ATOM 428 N GLN A 31 -6.018 21.833 23.967 1.00 0.00 N ATOM 429 CA GLN A 31 -6.686 20.538 23.942 1.00 0.00 C ATOM 430 C GLN A 31 -7.463 20.351 22.643 1.00 0.00 C ATOM 431 O GLN A 31 -7.369 19.308 21.995 1.00 0.00 O ATOM 432 CB GLN A 31 -7.630 20.403 25.138 1.00 0.00 C ATOM 433 CG GLN A 31 -6.921 20.461 26.482 1.00 0.00 C ATOM 434 CD GLN A 31 -7.881 20.367 27.652 1.00 0.00 C ATOM 435 OE1 GLN A 31 -7.790 21.139 28.607 1.00 0.00 O ATOM 436 NE2 GLN A 31 -8.807 19.418 27.584 1.00 0.00 N ATOM 0 H GLN A 31 -6.216 22.394 24.796 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.922 19.763 24.002 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.374 21.198 25.095 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.168 19.458 25.061 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.199 19.647 26.543 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.359 21.392 26.552 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.846 18.800 26.773 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.480 19.307 28.342 1.00 0.00 H new ATOM 445 N VAL A 32 -8.232 21.368 22.267 1.00 0.00 N ATOM 446 CA VAL A 32 -9.025 21.317 21.045 1.00 0.00 C ATOM 447 C VAL A 32 -8.163 20.938 19.846 1.00 0.00 C ATOM 448 O VAL A 32 -8.325 19.863 19.266 1.00 0.00 O ATOM 449 CB VAL A 32 -9.711 22.667 20.764 1.00 0.00 C ATOM 450 CG1 VAL A 32 -10.559 22.583 19.503 1.00 0.00 C ATOM 451 CG2 VAL A 32 -10.555 23.094 21.956 1.00 0.00 C ATOM 0 H VAL A 32 -8.322 22.238 22.792 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.789 20.554 21.195 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.940 23.421 20.605 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.036 23.546 19.320 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.925 22.325 18.655 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.324 21.817 19.630 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.032 24.050 21.740 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.320 22.342 22.148 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.918 23.197 22.835 1.00 0.00 H new ATOM 461 N LEU A 33 -7.247 21.826 19.479 1.00 0.00 N ATOM 462 CA LEU A 33 -6.357 21.585 18.348 1.00 0.00 C ATOM 463 C LEU A 33 -5.590 20.279 18.528 1.00 0.00 C ATOM 464 O LEU A 33 -5.186 19.646 17.552 1.00 0.00 O ATOM 465 CB LEU A 33 -5.376 22.749 18.189 1.00 0.00 C ATOM 466 CG LEU A 33 -5.999 24.119 17.921 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.035 25.229 18.312 1.00 0.00 C ATOM 468 CD2 LEU A 33 -6.397 24.248 16.458 1.00 0.00 C ATOM 0 H LEU A 33 -7.100 22.720 19.948 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.966 21.506 17.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.774 22.817 19.095 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.695 22.515 17.370 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.898 24.213 18.531 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.495 26.197 18.114 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.799 25.149 19.373 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.119 25.137 17.729 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.839 25.230 16.286 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.514 24.132 15.829 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.124 23.475 16.209 1.00 0.00 H new ATOM 480 N ASP A 34 -5.394 19.881 19.780 1.00 0.00 N ATOM 481 CA ASP A 34 -4.678 18.649 20.088 1.00 0.00 C ATOM 482 C ASP A 34 -5.548 17.429 19.800 1.00 0.00 C ATOM 483 O ASP A 34 -5.039 16.347 19.506 1.00 0.00 O ATOM 484 CB ASP A 34 -4.237 18.642 21.552 1.00 0.00 C ATOM 485 CG ASP A 34 -2.881 19.290 21.751 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.540 20.204 20.971 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.160 18.883 22.686 1.00 0.00 O ATOM 0 H ASP A 34 -5.721 20.394 20.599 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.795 18.602 19.451 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.979 19.166 22.154 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.202 17.614 21.913 1.00 0.00 H new ATOM 492 N TRP A 35 -6.860 17.611 19.889 1.00 0.00 N ATOM 493 CA TRP A 35 -7.801 16.524 19.639 1.00 0.00 C ATOM 494 C TRP A 35 -8.008 16.316 18.143 1.00 0.00 C ATOM 495 O TRP A 35 -8.245 15.196 17.689 1.00 0.00 O ATOM 496 CB TRP A 35 -9.141 16.816 20.316 1.00 0.00 C ATOM 497 CG TRP A 35 -10.218 15.842 19.945 1.00 0.00 C ATOM 498 CD1 TRP A 35 -10.384 14.578 20.434 1.00 0.00 C ATOM 499 CD2 TRP A 35 -11.277 16.053 19.005 1.00 0.00 C ATOM 500 NE1 TRP A 35 -11.483 13.991 19.855 1.00 0.00 N ATOM 501 CE2 TRP A 35 -12.049 14.875 18.975 1.00 0.00 C ATOM 502 CE3 TRP A 35 -11.650 17.123 18.187 1.00 0.00 C ATOM 503 CZ2 TRP A 35 -13.168 14.739 18.159 1.00 0.00 C ATOM 504 CZ3 TRP A 35 -12.761 16.987 17.377 1.00 0.00 C ATOM 505 CH2 TRP A 35 -13.510 15.803 17.368 1.00 0.00 C ATOM 0 H TRP A 35 -7.297 18.500 20.132 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.381 15.610 20.059 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.005 16.801 21.397 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -9.463 17.822 20.049 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.745 14.109 21.168 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.823 13.049 20.049 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -11.080 18.040 18.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -13.746 13.827 18.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -13.057 17.807 16.740 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -14.374 15.728 16.724 1.00 0.00 H new ATOM 516 N ILE A 36 -7.916 17.401 17.381 1.00 0.00 N ATOM 517 CA ILE A 36 -8.092 17.336 15.936 1.00 0.00 C ATOM 518 C ILE A 36 -7.048 16.428 15.295 1.00 0.00 C ATOM 519 O ILE A 36 -7.383 15.524 14.530 1.00 0.00 O ATOM 520 CB ILE A 36 -8.004 18.734 15.294 1.00 0.00 C ATOM 521 CG1 ILE A 36 -9.005 19.685 15.953 1.00 0.00 C ATOM 522 CG2 ILE A 36 -8.256 18.646 13.796 1.00 0.00 C ATOM 523 CD1 ILE A 36 -8.969 21.087 15.386 1.00 0.00 C ATOM 0 H ILE A 36 -7.721 18.335 17.741 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.086 16.925 15.758 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.000 19.127 15.451 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.010 19.280 15.836 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.802 19.729 17.023 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.190 19.641 13.357 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.508 17.998 13.339 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.250 18.236 13.618 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.704 21.706 15.900 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.975 21.511 15.527 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.202 21.055 14.322 1.00 0.00 H new ATOM 535 N SER A 37 -5.782 16.675 15.614 1.00 0.00 N ATOM 536 CA SER A 37 -4.687 15.881 15.068 1.00 0.00 C ATOM 537 C SER A 37 -4.942 14.390 15.273 1.00 0.00 C ATOM 538 O SER A 37 -4.601 13.568 14.423 1.00 0.00 O ATOM 539 CB SER A 37 -3.364 16.278 15.725 1.00 0.00 C ATOM 540 OG SER A 37 -2.332 15.367 15.386 1.00 0.00 O ATOM 0 H SER A 37 -5.489 17.419 16.248 1.00 0.00 H new ATOM 0 HA SER A 37 -4.627 16.078 13.998 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.085 17.283 15.409 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.486 16.307 16.808 1.00 0.00 H new ATOM 0 HG SER A 37 -1.497 15.644 15.817 1.00 0.00 H new ATOM 546 N TYR A 38 -5.545 14.051 16.407 1.00 0.00 N ATOM 547 CA TYR A 38 -5.844 12.660 16.727 1.00 0.00 C ATOM 548 C TYR A 38 -6.800 12.059 15.701 1.00 0.00 C ATOM 549 O TYR A 38 -6.585 10.950 15.213 1.00 0.00 O ATOM 550 CB TYR A 38 -6.450 12.556 18.127 1.00 0.00 C ATOM 551 CG TYR A 38 -7.566 11.540 18.230 1.00 0.00 C ATOM 552 CD1 TYR A 38 -7.299 10.178 18.167 1.00 0.00 C ATOM 553 CD2 TYR A 38 -8.886 11.943 18.390 1.00 0.00 C ATOM 554 CE1 TYR A 38 -8.315 9.246 18.259 1.00 0.00 C ATOM 555 CE2 TYR A 38 -9.908 11.018 18.485 1.00 0.00 C ATOM 556 CZ TYR A 38 -9.618 9.671 18.419 1.00 0.00 C ATOM 557 OH TYR A 38 -10.633 8.747 18.512 1.00 0.00 O ATOM 0 H TYR A 38 -5.836 14.720 17.120 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.910 12.098 16.700 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.664 12.293 18.835 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.831 13.533 18.422 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.280 9.842 18.044 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.117 12.997 18.441 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.091 8.191 18.206 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.929 11.348 18.610 1.00 0.00 H new ATOM 0 HH TYR A 38 -11.480 9.164 18.250 1.00 0.00 H new ATOM 567 N GLN A 39 -7.855 12.800 15.379 1.00 0.00 N ATOM 568 CA GLN A 39 -8.844 12.341 14.411 1.00 0.00 C ATOM 569 C GLN A 39 -8.319 12.485 12.986 1.00 0.00 C ATOM 570 O GLN A 39 -8.768 11.790 12.075 1.00 0.00 O ATOM 571 CB GLN A 39 -10.146 13.127 14.569 1.00 0.00 C ATOM 572 CG GLN A 39 -11.168 12.439 15.460 1.00 0.00 C ATOM 573 CD GLN A 39 -12.303 11.815 14.672 1.00 0.00 C ATOM 574 OE1 GLN A 39 -12.968 12.486 13.883 1.00 0.00 O ATOM 575 NE2 GLN A 39 -12.531 10.524 14.883 1.00 0.00 N ATOM 0 H GLN A 39 -8.047 13.721 15.774 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.039 11.286 14.602 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.919 14.110 14.982 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.585 13.288 13.584 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.671 11.667 16.047 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.576 13.163 16.165 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.955 10.006 15.546 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.282 10.050 14.382 1.00 0.00 H new ATOM 584 N VAL A 40 -7.365 13.393 12.801 1.00 0.00 N ATOM 585 CA VAL A 40 -6.778 13.628 11.487 1.00 0.00 C ATOM 586 C VAL A 40 -5.746 12.559 11.147 1.00 0.00 C ATOM 587 O VAL A 40 -5.513 12.258 9.977 1.00 0.00 O ATOM 588 CB VAL A 40 -6.111 15.014 11.411 1.00 0.00 C ATOM 589 CG1 VAL A 40 -5.466 15.222 10.049 1.00 0.00 C ATOM 590 CG2 VAL A 40 -7.124 16.110 11.703 1.00 0.00 C ATOM 0 H VAL A 40 -6.983 13.977 13.544 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.592 13.585 10.764 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.329 15.063 12.169 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.000 16.207 10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.709 14.456 9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.227 15.153 9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.635 17.082 11.645 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.930 16.065 10.971 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.534 15.969 12.703 1.00 0.00 H new ATOM 600 N GLU A 41 -5.131 11.989 12.179 1.00 0.00 N ATOM 601 CA GLU A 41 -4.122 10.953 11.988 1.00 0.00 C ATOM 602 C GLU A 41 -4.770 9.575 11.887 1.00 0.00 C ATOM 603 O GLU A 41 -4.218 8.660 11.276 1.00 0.00 O ATOM 604 CB GLU A 41 -3.115 10.972 13.140 1.00 0.00 C ATOM 605 CG GLU A 41 -2.043 9.902 13.029 1.00 0.00 C ATOM 606 CD GLU A 41 -1.108 10.132 11.857 1.00 0.00 C ATOM 607 OE1 GLU A 41 -0.442 11.188 11.829 1.00 0.00 O ATOM 608 OE2 GLU A 41 -1.043 9.256 10.969 1.00 0.00 O ATOM 0 H GLU A 41 -5.313 12.227 13.154 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.599 11.159 11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.637 11.951 13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.650 10.842 14.081 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.463 9.877 13.952 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.518 8.927 12.924 1.00 0.00 H new ATOM 615 N LYS A 42 -5.945 9.434 12.492 1.00 0.00 N ATOM 616 CA LYS A 42 -6.670 8.170 12.472 1.00 0.00 C ATOM 617 C LYS A 42 -7.445 8.008 11.168 1.00 0.00 C ATOM 618 O LYS A 42 -7.369 6.968 10.515 1.00 0.00 O ATOM 619 CB LYS A 42 -7.629 8.089 13.661 1.00 0.00 C ATOM 620 CG LYS A 42 -7.460 6.830 14.495 1.00 0.00 C ATOM 621 CD LYS A 42 -7.123 7.160 15.939 1.00 0.00 C ATOM 622 CE LYS A 42 -6.090 6.196 16.504 1.00 0.00 C ATOM 623 NZ LYS A 42 -5.850 6.429 17.955 1.00 0.00 N ATOM 0 H LYS A 42 -6.415 10.181 13.003 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.942 7.362 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.478 8.960 14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.654 8.137 13.294 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.378 6.243 14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.670 6.213 14.068 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.743 8.180 16.001 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.029 7.120 16.544 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.428 5.171 16.352 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.153 6.307 15.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.140 5.753 18.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.503 7.399 18.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.739 6.298 18.479 1.00 0.00 H new ATOM 637 N ASN A 43 -8.189 9.045 10.795 1.00 0.00 N ATOM 638 CA ASN A 43 -8.977 9.017 9.568 1.00 0.00 C ATOM 639 C ASN A 43 -8.077 9.126 8.341 1.00 0.00 C ATOM 640 O ASN A 43 -8.529 8.956 7.208 1.00 0.00 O ATOM 641 CB ASN A 43 -9.998 10.157 9.567 1.00 0.00 C ATOM 642 CG ASN A 43 -11.164 9.889 10.500 1.00 0.00 C ATOM 643 OD1 ASN A 43 -12.225 9.437 10.070 1.00 0.00 O ATOM 644 ND2 ASN A 43 -10.971 10.168 11.783 1.00 0.00 N ATOM 0 H ASN A 43 -8.263 9.914 11.324 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.505 8.064 9.527 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.505 11.083 9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.373 10.305 8.554 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.719 10.009 12.458 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.074 10.541 12.094 1.00 0.00 H new ATOM 651 N LYS A 44 -6.800 9.408 8.573 1.00 0.00 N ATOM 652 CA LYS A 44 -5.834 9.538 7.489 1.00 0.00 C ATOM 653 C LYS A 44 -6.192 10.707 6.578 1.00 0.00 C ATOM 654 O LYS A 44 -5.975 10.653 5.367 1.00 0.00 O ATOM 655 CB LYS A 44 -5.774 8.243 6.675 1.00 0.00 C ATOM 656 CG LYS A 44 -5.698 6.990 7.530 1.00 0.00 C ATOM 657 CD LYS A 44 -4.575 6.073 7.076 1.00 0.00 C ATOM 658 CE LYS A 44 -5.073 5.023 6.096 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.284 5.023 4.833 1.00 0.00 N ATOM 0 H LYS A 44 -6.409 9.551 9.504 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.855 9.730 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.655 8.184 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.905 8.277 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.543 7.268 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.647 6.456 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.788 6.664 6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.132 5.582 7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.016 4.038 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.123 5.208 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.655 4.293 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.359 5.955 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.286 4.821 5.047 1.00 0.00 H new ATOM 673 N TYR A 45 -6.741 11.764 7.167 1.00 0.00 N ATOM 674 CA TYR A 45 -7.130 12.946 6.408 1.00 0.00 C ATOM 675 C TYR A 45 -5.902 13.717 5.933 1.00 0.00 C ATOM 676 O TYR A 45 -4.907 13.825 6.649 1.00 0.00 O ATOM 677 CB TYR A 45 -8.018 13.855 7.259 1.00 0.00 C ATOM 678 CG TYR A 45 -8.714 14.938 6.466 1.00 0.00 C ATOM 679 CD1 TYR A 45 -9.485 14.625 5.353 1.00 0.00 C ATOM 680 CD2 TYR A 45 -8.598 16.275 6.827 1.00 0.00 C ATOM 681 CE1 TYR A 45 -10.122 15.611 4.625 1.00 0.00 C ATOM 682 CE2 TYR A 45 -9.233 17.267 6.106 1.00 0.00 C ATOM 683 CZ TYR A 45 -9.993 16.930 5.005 1.00 0.00 C ATOM 684 OH TYR A 45 -10.625 17.916 4.283 1.00 0.00 O ATOM 0 H TYR A 45 -6.927 11.826 8.168 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.691 12.616 5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.769 13.246 7.763 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.410 14.319 8.035 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.588 13.593 5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.001 16.543 7.686 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.718 15.350 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.135 18.301 6.402 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.699 17.639 3.346 1.00 0.00 H new ATOM 694 N ASP A 46 -5.981 14.252 4.719 1.00 0.00 N ATOM 695 CA ASP A 46 -4.878 15.014 4.147 1.00 0.00 C ATOM 696 C ASP A 46 -4.423 16.113 5.102 1.00 0.00 C ATOM 697 O ASP A 46 -3.237 16.433 5.177 1.00 0.00 O ATOM 698 CB ASP A 46 -5.293 15.625 2.807 1.00 0.00 C ATOM 699 CG ASP A 46 -4.267 15.383 1.718 1.00 0.00 C ATOM 700 OD1 ASP A 46 -3.743 14.252 1.637 1.00 0.00 O ATOM 701 OD2 ASP A 46 -3.990 16.324 0.945 1.00 0.00 O ATOM 0 H ASP A 46 -6.797 14.172 4.113 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.044 14.332 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.250 15.204 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.441 16.698 2.931 1.00 0.00 H new ATOM 706 N ALA A 47 -5.375 16.688 5.830 1.00 0.00 N ATOM 707 CA ALA A 47 -5.072 17.750 6.781 1.00 0.00 C ATOM 708 C ALA A 47 -4.479 18.966 6.077 1.00 0.00 C ATOM 709 O ALA A 47 -3.752 19.752 6.683 1.00 0.00 O ATOM 710 CB ALA A 47 -4.121 17.243 7.854 1.00 0.00 C ATOM 0 H ALA A 47 -6.362 16.436 5.779 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.005 18.056 7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.904 18.047 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.583 16.411 8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.194 16.907 7.389 1.00 0.00 H new ATOM 716 N SER A 48 -4.793 19.112 4.794 1.00 0.00 N ATOM 717 CA SER A 48 -4.286 20.229 4.005 1.00 0.00 C ATOM 718 C SER A 48 -5.411 21.198 3.651 1.00 0.00 C ATOM 719 O SER A 48 -5.343 21.904 2.645 1.00 0.00 O ATOM 720 CB SER A 48 -3.617 19.718 2.728 1.00 0.00 C ATOM 721 OG SER A 48 -4.571 19.506 1.702 1.00 0.00 O ATOM 0 H SER A 48 -5.396 18.471 4.278 1.00 0.00 H new ATOM 0 HA SER A 48 -3.547 20.760 4.605 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.871 20.438 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.090 18.787 2.937 1.00 0.00 H new ATOM 0 HG SER A 48 -5.005 20.356 1.478 1.00 0.00 H new ATOM 727 N ALA A 49 -6.444 21.226 4.486 1.00 0.00 N ATOM 728 CA ALA A 49 -7.583 22.108 4.263 1.00 0.00 C ATOM 729 C ALA A 49 -8.027 22.770 5.564 1.00 0.00 C ATOM 730 O ALA A 49 -8.350 23.958 5.588 1.00 0.00 O ATOM 731 CB ALA A 49 -8.736 21.335 3.641 1.00 0.00 C ATOM 0 H ALA A 49 -6.516 20.648 5.323 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.274 22.893 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.579 22.006 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.419 20.915 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.037 20.529 4.310 1.00 0.00 H new ATOM 737 N ILE A 50 -8.042 21.993 6.642 1.00 0.00 N ATOM 738 CA ILE A 50 -8.446 22.505 7.945 1.00 0.00 C ATOM 739 C ILE A 50 -7.679 23.774 8.300 1.00 0.00 C ATOM 740 O ILE A 50 -6.461 23.841 8.136 1.00 0.00 O ATOM 741 CB ILE A 50 -8.226 21.459 9.054 1.00 0.00 C ATOM 742 CG1 ILE A 50 -9.010 20.182 8.743 1.00 0.00 C ATOM 743 CG2 ILE A 50 -8.639 22.024 10.405 1.00 0.00 C ATOM 744 CD1 ILE A 50 -8.758 19.063 9.729 1.00 0.00 C ATOM 0 H ILE A 50 -7.779 21.007 6.638 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.510 22.733 7.877 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.165 21.212 9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.075 20.413 8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.748 19.839 7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.478 21.273 11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.042 22.908 10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.694 22.296 10.378 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.346 18.190 9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.699 18.805 9.723 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.047 19.387 10.729 1.00 0.00 H new ATOM 756 N ASP A 51 -8.400 24.778 8.788 1.00 0.00 N ATOM 757 CA ASP A 51 -7.787 26.045 9.169 1.00 0.00 C ATOM 758 C ASP A 51 -7.653 26.149 10.685 1.00 0.00 C ATOM 759 O ASP A 51 -8.502 26.738 11.355 1.00 0.00 O ATOM 760 CB ASP A 51 -8.612 27.217 8.635 1.00 0.00 C ATOM 761 CG ASP A 51 -8.010 27.827 7.385 1.00 0.00 C ATOM 762 OD1 ASP A 51 -6.895 28.382 7.474 1.00 0.00 O ATOM 763 OD2 ASP A 51 -8.654 27.749 6.318 1.00 0.00 O ATOM 0 H ASP A 51 -9.409 24.739 8.929 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.790 26.084 8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.624 26.876 8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.692 27.982 9.407 1.00 0.00 H new ATOM 768 N PHE A 52 -6.582 25.573 11.221 1.00 0.00 N ATOM 769 CA PHE A 52 -6.338 25.600 12.658 1.00 0.00 C ATOM 770 C PHE A 52 -6.361 27.031 13.188 1.00 0.00 C ATOM 771 O PHE A 52 -6.679 27.268 14.353 1.00 0.00 O ATOM 772 CB PHE A 52 -4.993 24.946 12.981 1.00 0.00 C ATOM 773 CG PHE A 52 -4.907 23.508 12.555 1.00 0.00 C ATOM 774 CD1 PHE A 52 -5.432 22.504 13.352 1.00 0.00 C ATOM 775 CD2 PHE A 52 -4.302 23.161 11.358 1.00 0.00 C ATOM 776 CE1 PHE A 52 -5.356 21.180 12.963 1.00 0.00 C ATOM 777 CE2 PHE A 52 -4.223 21.839 10.964 1.00 0.00 C ATOM 778 CZ PHE A 52 -4.750 20.847 11.768 1.00 0.00 C ATOM 0 H PHE A 52 -5.869 25.082 10.681 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.134 25.038 13.146 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.198 25.509 12.493 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.816 25.010 14.055 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.906 22.759 14.288 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.888 23.932 10.726 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.770 20.407 13.593 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.750 21.581 10.028 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.688 19.813 11.462 1.00 0.00 H new ATOM 788 N SER A 53 -6.020 27.981 12.323 1.00 0.00 N ATOM 789 CA SER A 53 -5.996 29.388 12.703 1.00 0.00 C ATOM 790 C SER A 53 -7.397 29.878 13.060 1.00 0.00 C ATOM 791 O SER A 53 -7.559 30.800 13.860 1.00 0.00 O ATOM 792 CB SER A 53 -5.422 30.236 11.567 1.00 0.00 C ATOM 793 OG SER A 53 -4.051 30.522 11.787 1.00 0.00 O ATOM 0 H SER A 53 -5.757 27.801 11.354 1.00 0.00 H new ATOM 0 HA SER A 53 -5.358 29.490 13.581 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.539 29.709 10.620 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.982 31.167 11.485 1.00 0.00 H new ATOM 0 HG SER A 53 -3.707 31.064 11.046 1.00 0.00 H new ATOM 799 N ARG A 54 -8.405 29.253 12.462 1.00 0.00 N ATOM 800 CA ARG A 54 -9.792 29.625 12.714 1.00 0.00 C ATOM 801 C ARG A 54 -10.319 28.938 13.970 1.00 0.00 C ATOM 802 O ARG A 54 -11.234 29.438 14.626 1.00 0.00 O ATOM 803 CB ARG A 54 -10.668 29.259 11.514 1.00 0.00 C ATOM 804 CG ARG A 54 -10.621 30.283 10.392 1.00 0.00 C ATOM 805 CD ARG A 54 -11.767 31.277 10.496 1.00 0.00 C ATOM 806 NE ARG A 54 -11.428 32.567 9.900 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.327 33.501 9.609 1.00 0.00 C ATOM 808 NH1 ARG A 54 -13.612 33.289 9.858 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.941 34.649 9.068 1.00 0.00 N ATOM 0 H ARG A 54 -8.288 28.486 11.799 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.830 30.704 12.867 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.351 28.291 11.125 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.699 29.146 11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.671 30.817 10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.667 29.773 9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.647 30.869 10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.029 31.420 11.544 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.448 32.761 9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.912 32.407 10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.300 34.008 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.953 34.815 8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.632 35.365 8.845 1.00 0.00 H new ATOM 823 N CYS A 55 -9.737 27.790 14.299 1.00 0.00 N ATOM 824 CA CYS A 55 -10.148 27.033 15.476 1.00 0.00 C ATOM 825 C CYS A 55 -9.653 27.703 16.754 1.00 0.00 C ATOM 826 O CYS A 55 -8.699 27.240 17.379 1.00 0.00 O ATOM 827 CB CYS A 55 -9.618 25.601 15.398 1.00 0.00 C ATOM 828 SG CYS A 55 -10.166 24.536 16.752 1.00 0.00 S ATOM 0 H CYS A 55 -8.979 27.363 13.767 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.237 27.008 15.499 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.933 25.159 14.453 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.528 25.628 15.390 1.00 0.00 H new ATOM 0 HG CYS A 55 -10.944 23.605 16.284 1.00 0.00 H new ATOM 834 N ASP A 56 -10.307 28.795 17.134 1.00 0.00 N ATOM 835 CA ASP A 56 -9.933 29.529 18.338 1.00 0.00 C ATOM 836 C ASP A 56 -10.786 29.096 19.526 1.00 0.00 C ATOM 837 O ASP A 56 -10.739 29.708 20.592 1.00 0.00 O ATOM 838 CB ASP A 56 -10.081 31.034 18.109 1.00 0.00 C ATOM 839 CG ASP A 56 -8.763 31.701 17.768 1.00 0.00 C ATOM 840 OD1 ASP A 56 -8.346 31.626 16.593 1.00 0.00 O ATOM 841 OD2 ASP A 56 -8.149 32.298 18.676 1.00 0.00 O ATOM 0 H ASP A 56 -11.098 29.191 16.627 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.890 29.304 18.562 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.792 31.207 17.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.497 31.495 19.004 1.00 0.00 H new ATOM 846 N MET A 57 -11.566 28.037 19.333 1.00 0.00 N ATOM 847 CA MET A 57 -12.430 27.523 20.389 1.00 0.00 C ATOM 848 C MET A 57 -11.606 26.873 21.496 1.00 0.00 C ATOM 849 O MET A 57 -10.801 25.977 21.240 1.00 0.00 O ATOM 850 CB MET A 57 -13.424 26.511 19.816 1.00 0.00 C ATOM 851 CG MET A 57 -14.291 27.075 18.702 1.00 0.00 C ATOM 852 SD MET A 57 -13.711 26.599 17.063 1.00 0.00 S ATOM 853 CE MET A 57 -14.819 25.242 16.692 1.00 0.00 C ATOM 0 H MET A 57 -11.617 27.519 18.456 1.00 0.00 H new ATOM 0 HA MET A 57 -12.981 28.362 20.815 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.875 25.649 19.437 1.00 0.00 H new ATOM 0 HB3 MET A 57 -14.067 26.151 20.619 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.316 26.730 18.835 1.00 0.00 H new ATOM 0 HG3 MET A 57 -14.308 28.162 18.775 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.237 24.345 16.478 1.00 0.00 H new ATOM 0 HE2 MET A 57 -15.468 25.058 17.548 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.427 25.496 15.824 1.00 0.00 H new ATOM 863 N ASP A 58 -11.813 27.329 22.727 1.00 0.00 N ATOM 864 CA ASP A 58 -11.090 26.791 23.873 1.00 0.00 C ATOM 865 C ASP A 58 -11.662 25.440 24.291 1.00 0.00 C ATOM 866 O ASP A 58 -10.925 24.473 24.478 1.00 0.00 O ATOM 867 CB ASP A 58 -11.152 27.770 25.047 1.00 0.00 C ATOM 868 CG ASP A 58 -12.575 28.134 25.423 1.00 0.00 C ATOM 869 OD1 ASP A 58 -13.234 28.844 24.635 1.00 0.00 O ATOM 870 OD2 ASP A 58 -13.029 27.709 26.506 1.00 0.00 O ATOM 0 H ASP A 58 -12.476 28.070 22.956 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.049 26.650 23.581 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.653 27.330 25.910 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.604 28.676 24.790 1.00 0.00 H new ATOM 875 N GLY A 59 -12.982 25.381 24.438 1.00 0.00 N ATOM 876 CA GLY A 59 -13.631 24.145 24.834 1.00 0.00 C ATOM 877 C GLY A 59 -15.143 24.249 24.809 1.00 0.00 C ATOM 878 O GLY A 59 -15.813 23.480 24.120 1.00 0.00 O ATOM 0 H GLY A 59 -13.614 26.168 24.290 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.314 23.343 24.168 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.305 23.873 25.838 1.00 0.00 H new ATOM 882 N ALA A 60 -15.681 25.201 25.563 1.00 0.00 N ATOM 883 CA ALA A 60 -17.124 25.403 25.624 1.00 0.00 C ATOM 884 C ALA A 60 -17.677 25.824 24.267 1.00 0.00 C ATOM 885 O ALA A 60 -18.832 25.545 23.941 1.00 0.00 O ATOM 886 CB ALA A 60 -17.467 26.443 26.681 1.00 0.00 C ATOM 0 H ALA A 60 -15.140 25.845 26.140 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.587 24.455 25.898 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.547 26.584 26.716 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.114 26.103 27.654 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.986 27.388 26.431 1.00 0.00 H new ATOM 892 N THR A 61 -16.847 26.497 23.477 1.00 0.00 N ATOM 893 CA THR A 61 -17.253 26.958 22.155 1.00 0.00 C ATOM 894 C THR A 61 -17.322 25.799 21.167 1.00 0.00 C ATOM 895 O THR A 61 -18.103 25.828 20.214 1.00 0.00 O ATOM 896 CB THR A 61 -16.287 28.026 21.610 1.00 0.00 C ATOM 897 OG1 THR A 61 -15.994 28.987 22.630 1.00 0.00 O ATOM 898 CG2 THR A 61 -16.883 28.729 20.400 1.00 0.00 C ATOM 0 H THR A 61 -15.888 26.735 23.730 1.00 0.00 H new ATOM 0 HA THR A 61 -18.244 27.399 22.265 1.00 0.00 H new ATOM 0 HB THR A 61 -15.366 27.529 21.304 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.378 29.662 22.276 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.182 29.479 20.033 1.00 0.00 H new ATOM 0 HG22 THR A 61 -17.078 27.999 19.614 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.817 29.214 20.684 1.00 0.00 H new ATOM 906 N LEU A 62 -16.502 24.781 21.398 1.00 0.00 N ATOM 907 CA LEU A 62 -16.470 23.611 20.527 1.00 0.00 C ATOM 908 C LEU A 62 -17.749 22.791 20.670 1.00 0.00 C ATOM 909 O LEU A 62 -18.392 22.447 19.678 1.00 0.00 O ATOM 910 CB LEU A 62 -15.254 22.741 20.852 1.00 0.00 C ATOM 911 CG LEU A 62 -14.954 21.612 19.866 1.00 0.00 C ATOM 912 CD1 LEU A 62 -14.437 22.176 18.551 1.00 0.00 C ATOM 913 CD2 LEU A 62 -13.949 20.637 20.462 1.00 0.00 C ATOM 0 H LEU A 62 -15.850 24.741 22.181 1.00 0.00 H new ATOM 0 HA LEU A 62 -16.395 23.958 19.496 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -14.377 23.386 20.913 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -15.398 22.305 21.840 1.00 0.00 H new ATOM 0 HG LEU A 62 -15.880 21.072 19.668 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -14.229 21.358 17.861 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.189 22.834 18.117 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.522 22.740 18.732 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -13.747 19.840 19.747 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.022 21.164 20.690 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.357 20.208 21.377 1.00 0.00 H new ATOM 925 N CYS A 63 -18.112 22.483 21.910 1.00 0.00 N ATOM 926 CA CYS A 63 -19.315 21.705 22.183 1.00 0.00 C ATOM 927 C CYS A 63 -20.569 22.504 21.844 1.00 0.00 C ATOM 928 O CYS A 63 -21.616 21.935 21.540 1.00 0.00 O ATOM 929 CB CYS A 63 -19.349 21.278 23.652 1.00 0.00 C ATOM 930 SG CYS A 63 -19.570 22.646 24.813 1.00 0.00 S ATOM 0 H CYS A 63 -17.591 22.760 22.742 1.00 0.00 H new ATOM 0 HA CYS A 63 -19.293 20.815 21.554 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -20.159 20.562 23.792 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.420 20.760 23.890 1.00 0.00 H new ATOM 0 HG CYS A 63 -19.222 23.761 24.242 1.00 0.00 H new ATOM 936 N ASN A 64 -20.454 23.827 21.901 1.00 0.00 N ATOM 937 CA ASN A 64 -21.579 24.705 21.602 1.00 0.00 C ATOM 938 C ASN A 64 -21.682 24.966 20.102 1.00 0.00 C ATOM 939 O ASN A 64 -22.762 25.256 19.585 1.00 0.00 O ATOM 940 CB ASN A 64 -21.432 26.031 22.353 1.00 0.00 C ATOM 941 CG ASN A 64 -21.980 25.959 23.765 1.00 0.00 C ATOM 942 OD1 ASN A 64 -22.615 24.976 24.147 1.00 0.00 O ATOM 943 ND2 ASN A 64 -21.737 27.004 24.547 1.00 0.00 N ATOM 0 H ASN A 64 -19.594 24.314 22.151 1.00 0.00 H new ATOM 0 HA ASN A 64 -22.492 24.209 21.930 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -20.379 26.311 22.389 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -21.952 26.816 21.804 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -22.081 27.014 25.507 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -21.206 27.797 24.188 1.00 0.00 H new ATOM 950 N CYS A 65 -20.553 24.861 19.410 1.00 0.00 N ATOM 951 CA CYS A 65 -20.516 25.086 17.970 1.00 0.00 C ATOM 952 C CYS A 65 -21.573 24.245 17.261 1.00 0.00 C ATOM 953 O CYS A 65 -22.160 23.340 17.853 1.00 0.00 O ATOM 954 CB CYS A 65 -19.129 24.755 17.417 1.00 0.00 C ATOM 955 SG CYS A 65 -18.128 26.208 17.018 1.00 0.00 S ATOM 0 H CYS A 65 -19.652 24.622 19.823 1.00 0.00 H new ATOM 0 HA CYS A 65 -20.731 26.139 17.786 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -18.594 24.148 18.147 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -19.243 24.148 16.519 1.00 0.00 H new ATOM 0 HG CYS A 65 -18.841 27.050 16.330 1.00 0.00 H new ATOM 961 N ALA A 66 -21.810 24.551 15.990 1.00 0.00 N ATOM 962 CA ALA A 66 -22.796 23.824 15.200 1.00 0.00 C ATOM 963 C ALA A 66 -22.119 22.886 14.206 1.00 0.00 C ATOM 964 O ALA A 66 -20.956 23.079 13.848 1.00 0.00 O ATOM 965 CB ALA A 66 -23.711 24.797 14.471 1.00 0.00 C ATOM 0 H ALA A 66 -21.333 25.298 15.485 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.396 23.219 15.880 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.442 24.240 13.885 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -24.229 25.423 15.197 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -23.118 25.426 13.807 1.00 0.00 H new ATOM 971 N LEU A 67 -22.852 21.870 13.764 1.00 0.00 N ATOM 972 CA LEU A 67 -22.322 20.901 12.812 1.00 0.00 C ATOM 973 C LEU A 67 -21.726 21.603 11.595 1.00 0.00 C ATOM 974 O LEU A 67 -20.535 21.474 11.315 1.00 0.00 O ATOM 975 CB LEU A 67 -23.424 19.936 12.369 1.00 0.00 C ATOM 976 CG LEU A 67 -23.137 19.124 11.106 1.00 0.00 C ATOM 977 CD1 LEU A 67 -21.798 18.411 11.223 1.00 0.00 C ATOM 978 CD2 LEU A 67 -24.255 18.123 10.850 1.00 0.00 C ATOM 0 H LEU A 67 -23.816 21.696 14.050 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.531 20.337 13.307 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.621 19.242 13.186 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -24.338 20.508 12.209 1.00 0.00 H new ATOM 0 HG LEU A 67 -23.089 19.809 10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.610 17.838 10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -21.005 19.146 11.358 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.818 17.737 12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -24.034 17.554 9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -24.335 17.442 11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -25.198 18.655 10.722 1.00 0.00 H new ATOM 990 N GLU A 68 -22.563 22.347 10.879 1.00 0.00 N ATOM 991 CA GLU A 68 -22.118 23.070 9.694 1.00 0.00 C ATOM 992 C GLU A 68 -20.889 23.920 10.005 1.00 0.00 C ATOM 993 O GLU A 68 -20.034 24.130 9.145 1.00 0.00 O ATOM 994 CB GLU A 68 -23.243 23.958 9.158 1.00 0.00 C ATOM 995 CG GLU A 68 -24.538 23.208 8.896 1.00 0.00 C ATOM 996 CD GLU A 68 -24.849 23.080 7.417 1.00 0.00 C ATOM 997 OE1 GLU A 68 -25.064 24.122 6.763 1.00 0.00 O ATOM 998 OE2 GLU A 68 -24.876 21.937 6.914 1.00 0.00 O ATOM 0 H GLU A 68 -23.552 22.465 11.099 1.00 0.00 H new ATOM 0 HA GLU A 68 -21.849 22.338 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -23.435 24.758 9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -22.913 24.430 8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -24.473 22.213 9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.359 23.724 9.393 1.00 0.00 H new ATOM 1005 N GLU A 69 -20.810 24.405 11.240 1.00 0.00 N ATOM 1006 CA GLU A 69 -19.686 25.233 11.663 1.00 0.00 C ATOM 1007 C GLU A 69 -18.385 24.436 11.643 1.00 0.00 C ATOM 1008 O GLU A 69 -17.405 24.842 11.015 1.00 0.00 O ATOM 1009 CB GLU A 69 -19.935 25.789 13.067 1.00 0.00 C ATOM 1010 CG GLU A 69 -20.093 27.299 13.105 1.00 0.00 C ATOM 1011 CD GLU A 69 -20.978 27.765 14.245 1.00 0.00 C ATOM 1012 OE1 GLU A 69 -20.535 27.686 15.410 1.00 0.00 O ATOM 1013 OE2 GLU A 69 -22.113 28.208 13.972 1.00 0.00 O ATOM 0 H GLU A 69 -21.509 24.240 11.964 1.00 0.00 H new ATOM 0 HA GLU A 69 -19.594 26.062 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.834 25.328 13.477 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -19.106 25.503 13.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -19.110 27.761 13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.515 27.640 12.160 1.00 0.00 H new ATOM 1020 N LEU A 70 -18.382 23.301 12.333 1.00 0.00 N ATOM 1021 CA LEU A 70 -17.202 22.447 12.395 1.00 0.00 C ATOM 1022 C LEU A 70 -16.753 22.035 10.996 1.00 0.00 C ATOM 1023 O LEU A 70 -15.579 21.740 10.772 1.00 0.00 O ATOM 1024 CB LEU A 70 -17.492 21.203 13.237 1.00 0.00 C ATOM 1025 CG LEU A 70 -18.107 21.453 14.614 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -18.463 20.136 15.287 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -17.155 22.259 15.485 1.00 0.00 C ATOM 0 H LEU A 70 -19.184 22.951 12.857 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.397 23.015 12.862 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -18.164 20.556 12.673 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.560 20.655 13.372 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.023 22.029 14.482 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.899 20.334 16.266 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.182 19.596 14.672 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.563 19.533 15.406 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -17.609 22.427 16.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -16.222 21.710 15.609 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -16.951 23.218 15.010 1.00 0.00 H new ATOM 1039 N ARG A 71 -17.695 22.019 10.059 1.00 0.00 N ATOM 1040 CA ARG A 71 -17.397 21.645 8.682 1.00 0.00 C ATOM 1041 C ARG A 71 -16.757 22.808 7.929 1.00 0.00 C ATOM 1042 O ARG A 71 -16.081 22.610 6.919 1.00 0.00 O ATOM 1043 CB ARG A 71 -18.672 21.199 7.965 1.00 0.00 C ATOM 1044 CG ARG A 71 -19.354 20.008 8.619 1.00 0.00 C ATOM 1045 CD ARG A 71 -20.773 19.826 8.101 1.00 0.00 C ATOM 1046 NE ARG A 71 -21.012 18.464 7.631 1.00 0.00 N ATOM 1047 CZ ARG A 71 -22.225 17.953 7.446 1.00 0.00 C ATOM 1048 NH1 ARG A 71 -23.301 18.688 7.690 1.00 0.00 N ATOM 1049 NH2 ARG A 71 -22.362 16.705 7.016 1.00 0.00 N ATOM 0 H ARG A 71 -18.671 22.261 10.228 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.691 20.815 8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.371 22.034 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -18.429 20.946 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.776 19.104 8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -19.375 20.147 9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.482 20.066 8.893 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.955 20.528 7.287 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.204 17.873 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.199 19.648 8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.231 18.294 7.547 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.536 16.137 6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.293 16.314 6.874 1.00 0.00 H new ATOM 1063 N LEU A 72 -16.975 24.020 8.427 1.00 0.00 N ATOM 1064 CA LEU A 72 -16.420 25.215 7.802 1.00 0.00 C ATOM 1065 C LEU A 72 -15.074 25.579 8.421 1.00 0.00 C ATOM 1066 O LEU A 72 -14.307 26.355 7.851 1.00 0.00 O ATOM 1067 CB LEU A 72 -17.393 26.387 7.944 1.00 0.00 C ATOM 1068 CG LEU A 72 -18.267 26.686 6.725 1.00 0.00 C ATOM 1069 CD1 LEU A 72 -19.733 26.754 7.122 1.00 0.00 C ATOM 1070 CD2 LEU A 72 -17.831 27.985 6.062 1.00 0.00 C ATOM 0 H LEU A 72 -17.532 24.201 9.262 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.267 25.004 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -18.046 26.190 8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.819 27.282 8.183 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.144 25.875 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.339 26.968 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -20.039 25.799 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.874 27.544 7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.464 28.182 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.924 28.806 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.793 27.899 5.741 1.00 0.00 H new ATOM 1082 N VAL A 73 -14.794 25.012 9.590 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.539 25.273 10.284 1.00 0.00 C ATOM 1084 C VAL A 73 -12.553 24.128 10.088 1.00 0.00 C ATOM 1085 O VAL A 73 -11.338 24.328 10.115 1.00 0.00 O ATOM 1086 CB VAL A 73 -13.767 25.487 11.793 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -12.444 25.728 12.504 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.726 26.644 12.028 1.00 0.00 C ATOM 0 H VAL A 73 -15.419 24.369 10.076 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.123 26.184 9.853 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.215 24.584 12.207 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.625 25.877 13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.793 24.865 12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.965 26.615 12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.876 26.781 13.099 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.308 27.555 11.601 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.683 26.426 11.553 1.00 0.00 H new ATOM 1098 N PHE A 74 -13.083 22.925 9.889 1.00 0.00 N ATOM 1099 CA PHE A 74 -12.249 21.746 9.688 1.00 0.00 C ATOM 1100 C PHE A 74 -12.551 21.089 8.344 1.00 0.00 C ATOM 1101 O PHE A 74 -12.308 19.898 8.154 1.00 0.00 O ATOM 1102 CB PHE A 74 -12.469 20.741 10.820 1.00 0.00 C ATOM 1103 CG PHE A 74 -12.570 21.378 12.177 1.00 0.00 C ATOM 1104 CD1 PHE A 74 -11.517 22.119 12.689 1.00 0.00 C ATOM 1105 CD2 PHE A 74 -13.719 21.238 12.938 1.00 0.00 C ATOM 1106 CE1 PHE A 74 -11.608 22.706 13.937 1.00 0.00 C ATOM 1107 CE2 PHE A 74 -13.816 21.823 14.187 1.00 0.00 C ATOM 1108 CZ PHE A 74 -12.759 22.559 14.686 1.00 0.00 C ATOM 0 H PHE A 74 -14.086 22.742 9.863 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.206 22.064 9.691 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -13.381 20.178 10.623 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.647 20.025 10.824 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.615 22.239 12.107 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.549 20.665 12.551 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.780 23.279 14.326 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.717 21.705 14.771 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.833 23.019 15.660 1.00 0.00 H new ATOM 1118 N GLY A 75 -13.082 21.876 7.414 1.00 0.00 N ATOM 1119 CA GLY A 75 -13.410 21.355 6.100 1.00 0.00 C ATOM 1120 C GLY A 75 -14.414 20.221 6.159 1.00 0.00 C ATOM 1121 O GLY A 75 -15.260 20.159 7.052 1.00 0.00 O ATOM 0 H GLY A 75 -13.291 22.865 7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.811 22.159 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.499 21.005 5.614 1.00 0.00 H new ATOM 1125 N PRO A 76 -14.330 19.299 5.190 1.00 0.00 N ATOM 1126 CA PRO A 76 -15.232 18.145 5.113 1.00 0.00 C ATOM 1127 C PRO A 76 -14.980 17.138 6.229 1.00 0.00 C ATOM 1128 O PRO A 76 -15.730 16.173 6.390 1.00 0.00 O ATOM 1129 CB PRO A 76 -14.904 17.528 3.751 1.00 0.00 C ATOM 1130 CG PRO A 76 -13.502 17.949 3.473 1.00 0.00 C ATOM 1131 CD PRO A 76 -13.347 19.309 4.093 1.00 0.00 C ATOM 0 HA PRO A 76 -16.277 18.436 5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.994 16.442 3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.585 17.886 2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.790 17.242 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.311 17.985 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.334 19.469 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.554 20.103 3.376 1.00 0.00 H new ATOM 1139 N LEU A 77 -13.921 17.366 6.999 1.00 0.00 N ATOM 1140 CA LEU A 77 -13.571 16.478 8.101 1.00 0.00 C ATOM 1141 C LEU A 77 -14.512 16.681 9.285 1.00 0.00 C ATOM 1142 O LEU A 77 -14.705 15.779 10.099 1.00 0.00 O ATOM 1143 CB LEU A 77 -12.125 16.720 8.538 1.00 0.00 C ATOM 1144 CG LEU A 77 -11.586 15.788 9.624 1.00 0.00 C ATOM 1145 CD1 LEU A 77 -11.807 14.334 9.237 1.00 0.00 C ATOM 1146 CD2 LEU A 77 -10.109 16.058 9.874 1.00 0.00 C ATOM 0 H LEU A 77 -13.290 18.159 6.880 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.672 15.450 7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.483 16.633 7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.041 17.747 8.894 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.131 15.983 10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.417 13.685 10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.874 14.149 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.289 14.124 8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.742 15.386 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.548 15.891 8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.977 17.091 10.197 1.00 0.00 H new ATOM 1158 N GLY A 78 -15.097 17.871 9.371 1.00 0.00 N ATOM 1159 CA GLY A 78 -16.013 18.171 10.457 1.00 0.00 C ATOM 1160 C GLY A 78 -17.104 17.128 10.599 1.00 0.00 C ATOM 1161 O GLY A 78 -17.456 16.736 11.711 1.00 0.00 O ATOM 0 H GLY A 78 -14.954 18.633 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.455 18.238 11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.467 19.147 10.286 1.00 0.00 H new ATOM 1165 N ASP A 79 -17.641 16.678 9.470 1.00 0.00 N ATOM 1166 CA ASP A 79 -18.699 15.675 9.473 1.00 0.00 C ATOM 1167 C ASP A 79 -18.297 14.464 10.309 1.00 0.00 C ATOM 1168 O ASP A 79 -19.142 13.817 10.927 1.00 0.00 O ATOM 1169 CB ASP A 79 -19.022 15.239 8.043 1.00 0.00 C ATOM 1170 CG ASP A 79 -19.883 13.992 7.999 1.00 0.00 C ATOM 1171 OD1 ASP A 79 -20.950 13.984 8.648 1.00 0.00 O ATOM 1172 OD2 ASP A 79 -19.490 13.024 7.314 1.00 0.00 O ATOM 0 H ASP A 79 -17.361 16.992 8.541 1.00 0.00 H new ATOM 0 HA ASP A 79 -19.588 16.122 9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.535 16.050 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.093 15.055 7.504 1.00 0.00 H new ATOM 1177 N GLN A 80 -17.002 14.164 10.322 1.00 0.00 N ATOM 1178 CA GLN A 80 -16.490 13.029 11.081 1.00 0.00 C ATOM 1179 C GLN A 80 -16.230 13.418 12.533 1.00 0.00 C ATOM 1180 O GLN A 80 -16.519 12.651 13.453 1.00 0.00 O ATOM 1181 CB GLN A 80 -15.203 12.502 10.444 1.00 0.00 C ATOM 1182 CG GLN A 80 -15.413 11.881 9.073 1.00 0.00 C ATOM 1183 CD GLN A 80 -15.219 12.875 7.945 1.00 0.00 C ATOM 1184 OE1 GLN A 80 -14.090 13.207 7.582 1.00 0.00 O ATOM 1185 NE2 GLN A 80 -16.321 13.358 7.384 1.00 0.00 N ATOM 0 H GLN A 80 -16.289 14.690 9.816 1.00 0.00 H new ATOM 0 HA GLN A 80 -17.244 12.242 11.064 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.489 13.321 10.357 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.758 11.759 11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.718 11.051 8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -16.419 11.466 9.017 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.237 13.056 7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.252 14.031 6.621 1.00 0.00 H new ATOM 1194 N LEU A 81 -15.683 14.612 12.732 1.00 0.00 N ATOM 1195 CA LEU A 81 -15.384 15.103 14.072 1.00 0.00 C ATOM 1196 C LEU A 81 -16.656 15.218 14.907 1.00 0.00 C ATOM 1197 O LEU A 81 -16.687 14.812 16.069 1.00 0.00 O ATOM 1198 CB LEU A 81 -14.686 16.462 13.995 1.00 0.00 C ATOM 1199 CG LEU A 81 -13.385 16.504 13.193 1.00 0.00 C ATOM 1200 CD1 LEU A 81 -12.919 17.939 13.006 1.00 0.00 C ATOM 1201 CD2 LEU A 81 -12.308 15.676 13.879 1.00 0.00 C ATOM 0 H LEU A 81 -15.437 15.258 11.982 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.719 14.387 14.554 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.381 17.181 13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -14.474 16.797 15.010 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.573 16.074 12.209 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.992 17.949 12.433 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.683 18.503 12.470 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.748 18.396 13.981 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.389 15.718 13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.122 16.075 14.876 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.641 14.641 13.959 1.00 0.00 H new ATOM 1213 N HIS A 82 -17.704 15.771 14.305 1.00 0.00 N ATOM 1214 CA HIS A 82 -18.980 15.937 14.991 1.00 0.00 C ATOM 1215 C HIS A 82 -19.454 14.614 15.585 1.00 0.00 C ATOM 1216 O HIS A 82 -19.870 14.555 16.741 1.00 0.00 O ATOM 1217 CB HIS A 82 -20.034 16.484 14.028 1.00 0.00 C ATOM 1218 CG HIS A 82 -21.316 16.870 14.700 1.00 0.00 C ATOM 1219 ND1 HIS A 82 -22.478 16.137 14.582 1.00 0.00 N ATOM 1220 CD2 HIS A 82 -21.614 17.920 15.501 1.00 0.00 C ATOM 1221 CE1 HIS A 82 -23.436 16.720 15.281 1.00 0.00 C ATOM 1222 NE2 HIS A 82 -22.937 17.803 15.849 1.00 0.00 N ATOM 0 H HIS A 82 -17.695 16.112 13.344 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.837 16.649 15.804 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -19.627 17.354 13.513 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.244 15.732 13.267 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.937 18.703 15.809 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -24.454 16.370 15.372 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.451 18.448 16.449 1.00 0.00 H new ATOM 1230 N ALA A 83 -19.387 13.554 14.785 1.00 0.00 N ATOM 1231 CA ALA A 83 -19.808 12.232 15.231 1.00 0.00 C ATOM 1232 C ALA A 83 -19.138 11.859 16.549 1.00 0.00 C ATOM 1233 O ALA A 83 -19.765 11.271 17.430 1.00 0.00 O ATOM 1234 CB ALA A 83 -19.498 11.192 14.166 1.00 0.00 C ATOM 0 H ALA A 83 -19.045 13.586 13.825 1.00 0.00 H new ATOM 0 HA ALA A 83 -20.885 12.257 15.395 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.818 10.209 14.513 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -20.028 11.443 13.247 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.425 11.177 13.973 1.00 0.00 H new ATOM 1240 N GLN A 84 -17.860 12.204 16.677 1.00 0.00 N ATOM 1241 CA GLN A 84 -17.105 11.903 17.887 1.00 0.00 C ATOM 1242 C GLN A 84 -17.525 12.819 19.032 1.00 0.00 C ATOM 1243 O GLN A 84 -17.783 12.360 20.146 1.00 0.00 O ATOM 1244 CB GLN A 84 -15.605 12.047 17.627 1.00 0.00 C ATOM 1245 CG GLN A 84 -15.037 10.964 16.723 1.00 0.00 C ATOM 1246 CD GLN A 84 -13.987 10.118 17.415 1.00 0.00 C ATOM 1247 OE1 GLN A 84 -12.854 10.557 17.617 1.00 0.00 O ATOM 1248 NE2 GLN A 84 -14.358 8.897 17.784 1.00 0.00 N ATOM 0 H GLN A 84 -17.327 12.692 15.957 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.319 10.873 18.172 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.415 13.021 17.177 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.076 12.028 18.580 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.847 10.321 16.379 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -14.600 11.427 15.838 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -15.307 8.574 17.597 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.694 8.283 18.255 1.00 0.00 H new ATOM 1257 N LEU A 85 -17.591 14.115 18.752 1.00 0.00 N ATOM 1258 CA LEU A 85 -17.980 15.097 19.759 1.00 0.00 C ATOM 1259 C LEU A 85 -19.371 14.794 20.306 1.00 0.00 C ATOM 1260 O LEU A 85 -19.675 15.100 21.459 1.00 0.00 O ATOM 1261 CB LEU A 85 -17.948 16.506 19.165 1.00 0.00 C ATOM 1262 CG LEU A 85 -16.626 17.261 19.298 1.00 0.00 C ATOM 1263 CD1 LEU A 85 -16.649 18.530 18.460 1.00 0.00 C ATOM 1264 CD2 LEU A 85 -16.343 17.589 20.757 1.00 0.00 C ATOM 0 H LEU A 85 -17.380 14.511 17.836 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.267 15.040 20.581 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.199 16.438 18.107 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.730 17.097 19.641 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.826 16.620 18.928 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.699 19.054 18.567 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.804 18.272 17.413 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -17.460 19.175 18.799 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.398 18.127 20.832 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.146 18.210 21.153 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.282 16.665 21.332 1.00 0.00 H new ATOM 1276 N ARG A 86 -20.211 14.190 19.472 1.00 0.00 N ATOM 1277 CA ARG A 86 -21.570 13.845 19.872 1.00 0.00 C ATOM 1278 C ARG A 86 -21.561 12.765 20.950 1.00 0.00 C ATOM 1279 O ARG A 86 -22.457 12.706 21.792 1.00 0.00 O ATOM 1280 CB ARG A 86 -22.375 13.368 18.663 1.00 0.00 C ATOM 1281 CG ARG A 86 -22.921 14.500 17.809 1.00 0.00 C ATOM 1282 CD ARG A 86 -24.038 14.020 16.895 1.00 0.00 C ATOM 1283 NE ARG A 86 -23.527 13.536 15.615 1.00 0.00 N ATOM 1284 CZ ARG A 86 -24.271 12.890 14.724 1.00 0.00 C ATOM 1285 NH1 ARG A 86 -25.551 12.652 14.973 1.00 0.00 N ATOM 1286 NH2 ARG A 86 -23.734 12.481 13.582 1.00 0.00 N ATOM 0 H ARG A 86 -19.974 13.929 18.515 1.00 0.00 H new ATOM 0 HA ARG A 86 -22.040 14.739 20.282 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.743 12.731 18.045 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -23.205 12.753 19.010 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -23.294 15.296 18.453 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -22.116 14.926 17.209 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -24.593 13.222 17.389 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -24.739 14.836 16.720 1.00 0.00 H new ATOM 0 HE ARG A 86 -22.546 13.703 15.393 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -25.967 12.965 15.850 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -26.120 12.156 14.287 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.749 12.662 13.388 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -24.306 11.985 12.898 1.00 0.00 H new ATOM 1300 N ASP A 87 -20.543 11.911 20.917 1.00 0.00 N ATOM 1301 CA ASP A 87 -20.417 10.833 21.890 1.00 0.00 C ATOM 1302 C ASP A 87 -19.814 11.346 23.194 1.00 0.00 C ATOM 1303 O ASP A 87 -20.057 10.787 24.265 1.00 0.00 O ATOM 1304 CB ASP A 87 -19.554 9.704 21.324 1.00 0.00 C ATOM 1305 CG ASP A 87 -20.370 8.479 20.960 1.00 0.00 C ATOM 1306 OD1 ASP A 87 -21.400 8.635 20.273 1.00 0.00 O ATOM 1307 OD2 ASP A 87 -19.978 7.364 21.364 1.00 0.00 O ATOM 0 H ASP A 87 -19.793 11.945 20.226 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.415 10.447 22.099 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.027 10.062 20.440 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.796 9.428 22.057 1.00 0.00 H new ATOM 1312 N LEU A 88 -19.027 12.412 23.097 1.00 0.00 N ATOM 1313 CA LEU A 88 -18.388 13.000 24.269 1.00 0.00 C ATOM 1314 C LEU A 88 -19.400 13.768 25.113 1.00 0.00 C ATOM 1315 O LEU A 88 -19.452 13.614 26.333 1.00 0.00 O ATOM 1316 CB LEU A 88 -17.252 13.930 23.841 1.00 0.00 C ATOM 1317 CG LEU A 88 -16.040 13.257 23.195 1.00 0.00 C ATOM 1318 CD1 LEU A 88 -15.098 14.300 22.613 1.00 0.00 C ATOM 1319 CD2 LEU A 88 -15.313 12.383 24.207 1.00 0.00 C ATOM 0 H LEU A 88 -18.816 12.887 22.219 1.00 0.00 H new ATOM 0 HA LEU A 88 -17.978 12.191 24.874 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.653 14.661 23.139 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.912 14.482 24.717 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.391 12.621 22.382 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.241 13.803 22.158 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.623 14.883 21.857 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.753 14.962 23.407 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.453 11.912 23.730 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.974 12.997 25.041 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.990 11.613 24.576 1.00 0.00 H new