USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 866 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 103 ASN : amide:sc= -0.97 K(o=-1.7,f=-6.1!) USER MOD Set 1.2: A 113 HIS : no HD1:sc= -0.717 K(o=-1.7,f=-8.1!) USER MOD Set 2.1: A 100 HIS : no HE2:sc= 1.11 K(o=2,f=-2.8!) USER MOD Set 2.2: A 101 GLN : amide:sc= 0.873 K(o=2,f=-3.7!) USER MOD Set 3.1: A 68 TYR OH : rot -14:sc= 2.39 USER MOD Set 3.2: A 88 THR OG1 : rot 169:sc= 1.24 USER MOD Set 4.1: A 29 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 67 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-7.3!) USER MOD Set 5.1: A 63 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Set 5.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 61 HIS : no HD1:sc= -0.298 K(o=0.21,f=-12!) USER MOD Set 6.2: A 109 CYS SG : rot 69:sc= 0.507 USER MOD Single : A 21 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.045) USER MOD Single : A 25 SER OG : rot 80:sc= 0.545 USER MOD Single : A 30 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 35 GLN : amide:sc= 0.458 X(o=0.46,f=-0.029) USER MOD Single : A 36 GLN : amide:sc= 0.611 K(o=0.61,f=-0.85) USER MOD Single : A 48 SER OG : rot 160:sc= -0.266 USER MOD Single : A 49 GLN : amide:sc= -1.61 K(o=-1.6,f=-8.1!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 SER OG : rot -43:sc= 0.847 USER MOD Single : A 60 CYS SG : rot 69:sc= -0.507 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc= 0.362 USER MOD Single : A 82 SER OG : rot 180:sc= -0.206 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.53 K(o=0.53,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 114 CYS SG : rot 180:sc= -0.303 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 144:sc= 0.761 USER MOD Single : B1141 ASN : amide:sc= 1.18 K(o=1.2,f=-5.6!) USER MOD Single : B1142 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 248 N TRP A 19 5.890 2.508 9.013 1.00 0.00 N ATOM 249 CA TRP A 19 5.562 1.724 7.813 1.00 0.00 C ATOM 250 C TRP A 19 5.109 2.663 6.675 1.00 0.00 C ATOM 251 O TRP A 19 4.029 2.515 6.102 1.00 0.00 O ATOM 252 CB TRP A 19 4.531 0.638 8.176 1.00 0.00 C ATOM 253 CG TRP A 19 5.059 -0.506 8.988 1.00 0.00 C ATOM 254 CD1 TRP A 19 5.679 -1.597 8.482 1.00 0.00 C ATOM 255 CD2 TRP A 19 5.017 -0.713 10.436 1.00 0.00 C ATOM 256 NE1 TRP A 19 6.029 -2.455 9.505 1.00 0.00 N ATOM 257 CE2 TRP A 19 5.655 -1.957 10.733 1.00 0.00 C ATOM 258 CE3 TRP A 19 4.494 0.018 11.525 1.00 0.00 C ATOM 259 CZ2 TRP A 19 5.786 -2.439 12.044 1.00 0.00 C ATOM 260 CZ3 TRP A 19 4.620 -0.458 12.847 1.00 0.00 C ATOM 261 CH2 TRP A 19 5.266 -1.681 13.107 1.00 0.00 C ATOM 0 HA TRP A 19 6.443 1.203 7.438 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.715 1.106 8.727 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.107 0.241 7.254 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.871 -1.771 7.434 1.00 0.00 H new ATOM 0 HE1 TRP A 19 6.505 -3.347 9.368 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.990 0.956 11.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.280 -3.380 12.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.218 0.120 13.666 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.362 -2.037 14.122 1.00 0.00 H new ATOM 272 N PHE A 20 5.949 3.666 6.377 1.00 0.00 N ATOM 273 CA PHE A 20 5.771 4.619 5.273 1.00 0.00 C ATOM 274 C PHE A 20 7.128 5.129 4.741 1.00 0.00 C ATOM 275 O PHE A 20 7.863 5.820 5.453 1.00 0.00 O ATOM 276 CB PHE A 20 4.892 5.782 5.758 1.00 0.00 C ATOM 277 CG PHE A 20 4.517 6.760 4.662 1.00 0.00 C ATOM 278 CD1 PHE A 20 3.450 6.465 3.791 1.00 0.00 C ATOM 279 CD2 PHE A 20 5.241 7.959 4.496 1.00 0.00 C ATOM 280 CE1 PHE A 20 3.108 7.358 2.761 1.00 0.00 C ATOM 281 CE2 PHE A 20 4.897 8.852 3.466 1.00 0.00 C ATOM 282 CZ PHE A 20 3.832 8.552 2.598 1.00 0.00 C ATOM 0 H PHE A 20 6.797 3.841 6.915 1.00 0.00 H new ATOM 0 HA PHE A 20 5.279 4.114 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.981 5.378 6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.418 6.319 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.892 5.549 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.060 8.191 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.290 7.127 2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.452 9.770 3.341 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.570 9.239 1.806 1.00 0.00 H new ATOM 292 N HIS A 21 7.467 4.762 3.498 1.00 0.00 N ATOM 293 CA HIS A 21 8.741 5.059 2.806 1.00 0.00 C ATOM 294 C HIS A 21 8.472 5.385 1.329 1.00 0.00 C ATOM 295 O HIS A 21 7.477 4.897 0.802 1.00 0.00 O ATOM 296 CB HIS A 21 9.665 3.831 2.938 1.00 0.00 C ATOM 297 CG HIS A 21 10.021 3.506 4.372 1.00 0.00 C ATOM 298 ND1 HIS A 21 11.078 4.064 5.098 1.00 0.00 N ATOM 299 CD2 HIS A 21 9.290 2.703 5.203 1.00 0.00 C ATOM 300 CE1 HIS A 21 10.945 3.599 6.354 1.00 0.00 C ATOM 301 NE2 HIS A 21 9.877 2.788 6.447 1.00 0.00 N ATOM 0 H HIS A 21 6.831 4.221 2.912 1.00 0.00 H new ATOM 0 HA HIS A 21 9.224 5.926 3.257 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.177 2.967 2.486 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.581 4.011 2.375 1.00 0.00 H new ATOM 0 HD2 HIS A 21 8.423 2.117 4.937 1.00 0.00 H new ATOM 0 HE1 HIS A 21 11.605 3.843 7.173 1.00 0.00 H new ATOM 0 HE2 HIS A 21 9.556 2.317 7.293 1.00 0.00 H new ATOM 309 N GLY A 22 9.313 6.132 0.595 1.00 0.00 N ATOM 310 CA GLY A 22 9.070 6.347 -0.827 1.00 0.00 C ATOM 311 C GLY A 22 10.349 6.322 -1.628 1.00 0.00 C ATOM 312 O GLY A 22 10.637 7.266 -2.348 1.00 0.00 O ATOM 0 H GLY A 22 10.150 6.586 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.393 5.578 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.572 7.306 -0.969 1.00 0.00 H new ATOM 316 N ARG A 23 11.122 5.242 -1.478 1.00 0.00 N ATOM 317 CA ARG A 23 12.347 4.986 -2.258 1.00 0.00 C ATOM 318 C ARG A 23 12.569 3.480 -2.460 1.00 0.00 C ATOM 319 O ARG A 23 13.668 2.945 -2.347 1.00 0.00 O ATOM 320 CB ARG A 23 13.494 5.843 -1.647 1.00 0.00 C ATOM 321 CG ARG A 23 14.980 5.478 -1.838 1.00 0.00 C ATOM 322 CD ARG A 23 15.439 5.332 -3.296 1.00 0.00 C ATOM 323 NE ARG A 23 16.823 4.830 -3.389 1.00 0.00 N ATOM 324 CZ ARG A 23 17.238 3.579 -3.265 1.00 0.00 C ATOM 325 NH1 ARG A 23 16.429 2.599 -2.974 1.00 0.00 N ATOM 326 NH2 ARG A 23 18.497 3.288 -3.431 1.00 0.00 N ATOM 0 H ARG A 23 10.915 4.507 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 23 12.281 5.322 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.368 6.856 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.317 5.885 -0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.589 6.243 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.177 4.541 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.770 4.651 -3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.368 6.297 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 23 17.544 5.528 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.436 2.783 -2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.789 1.649 -2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 23 19.165 4.025 -3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.814 2.323 -3.335 1.00 0.00 H new ATOM 340 N ILE A 24 11.472 2.783 -2.756 1.00 0.00 N ATOM 341 CA ILE A 24 11.423 1.321 -2.883 1.00 0.00 C ATOM 342 C ILE A 24 10.505 0.922 -4.057 1.00 0.00 C ATOM 343 O ILE A 24 9.449 0.332 -3.860 1.00 0.00 O ATOM 344 CB ILE A 24 11.095 0.725 -1.483 1.00 0.00 C ATOM 345 CG1 ILE A 24 11.377 -0.792 -1.458 1.00 0.00 C ATOM 346 CG2 ILE A 24 9.690 1.074 -0.950 1.00 0.00 C ATOM 347 CD1 ILE A 24 11.226 -1.446 -0.076 1.00 0.00 C ATOM 0 H ILE A 24 10.569 3.228 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 24 12.381 0.882 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 24 11.771 1.213 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.700 -1.286 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.390 -0.966 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.549 0.617 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.592 2.156 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.935 0.695 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.443 -2.512 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.922 -0.983 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.206 -1.308 0.282 1.00 0.00 H new ATOM 359 N SER A 25 10.885 1.304 -5.286 1.00 0.00 N ATOM 360 CA SER A 25 10.067 1.105 -6.503 1.00 0.00 C ATOM 361 C SER A 25 9.659 -0.352 -6.731 1.00 0.00 C ATOM 362 O SER A 25 10.374 -1.285 -6.377 1.00 0.00 O ATOM 363 CB SER A 25 10.732 1.730 -7.738 1.00 0.00 C ATOM 364 OG SER A 25 9.863 1.722 -8.867 1.00 0.00 O ATOM 0 H SER A 25 11.776 1.765 -5.470 1.00 0.00 H new ATOM 0 HA SER A 25 9.132 1.639 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.026 2.755 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.643 1.182 -7.977 1.00 0.00 H new ATOM 0 HG SER A 25 9.228 2.465 -8.796 1.00 0.00 H new ATOM 370 N ARG A 26 8.508 -0.539 -7.381 1.00 0.00 N ATOM 371 CA ARG A 26 7.802 -1.808 -7.630 1.00 0.00 C ATOM 372 C ARG A 26 8.639 -2.966 -8.180 1.00 0.00 C ATOM 373 O ARG A 26 8.372 -4.114 -7.842 1.00 0.00 O ATOM 374 CB ARG A 26 6.532 -1.487 -8.457 1.00 0.00 C ATOM 375 CG ARG A 26 6.719 -1.299 -9.969 1.00 0.00 C ATOM 376 CD ARG A 26 7.489 -0.043 -10.376 1.00 0.00 C ATOM 377 NE ARG A 26 7.392 0.203 -11.828 1.00 0.00 N ATOM 378 CZ ARG A 26 7.638 1.326 -12.468 1.00 0.00 C ATOM 379 NH1 ARG A 26 7.963 2.442 -11.872 1.00 0.00 N ATOM 380 NH2 ARG A 26 7.539 1.325 -13.759 1.00 0.00 N ATOM 0 H ARG A 26 8.002 0.252 -7.780 1.00 0.00 H new ATOM 0 HA ARG A 26 7.526 -2.225 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.813 -2.291 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.085 -0.578 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.240 -2.170 -10.366 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.737 -1.273 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.097 0.817 -9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.536 -0.149 -10.093 1.00 0.00 H new ATOM 0 HE ARG A 26 7.101 -0.589 -12.401 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.038 2.474 -10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.142 3.281 -12.423 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.277 0.470 -14.250 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.723 2.179 -14.285 1.00 0.00 H new ATOM 394 N GLU A 27 9.677 -2.665 -8.957 1.00 0.00 N ATOM 395 CA GLU A 27 10.606 -3.662 -9.520 1.00 0.00 C ATOM 396 C GLU A 27 11.666 -4.131 -8.501 1.00 0.00 C ATOM 397 O GLU A 27 12.048 -5.300 -8.502 1.00 0.00 O ATOM 398 CB GLU A 27 11.284 -3.078 -10.771 1.00 0.00 C ATOM 399 CG GLU A 27 10.292 -2.802 -11.910 1.00 0.00 C ATOM 400 CD GLU A 27 11.011 -2.167 -13.113 1.00 0.00 C ATOM 401 OE1 GLU A 27 11.213 -0.928 -13.100 1.00 0.00 O ATOM 402 OE2 GLU A 27 11.384 -2.896 -14.065 1.00 0.00 O ATOM 0 H GLU A 27 9.906 -1.707 -9.222 1.00 0.00 H new ATOM 0 HA GLU A 27 10.023 -4.543 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.792 -2.151 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.049 -3.771 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.813 -3.732 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.503 -2.137 -11.559 1.00 0.00 H new ATOM 409 N GLU A 28 12.138 -3.240 -7.622 1.00 0.00 N ATOM 410 CA GLU A 28 13.062 -3.569 -6.520 1.00 0.00 C ATOM 411 C GLU A 28 12.333 -4.147 -5.299 1.00 0.00 C ATOM 412 O GLU A 28 12.796 -5.110 -4.694 1.00 0.00 O ATOM 413 CB GLU A 28 13.888 -2.333 -6.122 1.00 0.00 C ATOM 414 CG GLU A 28 14.922 -1.927 -7.184 1.00 0.00 C ATOM 415 CD GLU A 28 15.964 -3.029 -7.467 1.00 0.00 C ATOM 416 OE1 GLU A 28 16.470 -3.666 -6.507 1.00 0.00 O ATOM 417 OE2 GLU A 28 16.295 -3.264 -8.655 1.00 0.00 O ATOM 0 H GLU A 28 11.887 -2.252 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 28 13.735 -4.344 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.213 -1.496 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.402 -2.535 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.404 -1.679 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.437 -1.024 -6.855 1.00 0.00 H new ATOM 424 N SER A 29 11.164 -3.601 -4.949 1.00 0.00 N ATOM 425 CA SER A 29 10.371 -4.008 -3.775 1.00 0.00 C ATOM 426 C SER A 29 10.018 -5.496 -3.800 1.00 0.00 C ATOM 427 O SER A 29 10.116 -6.176 -2.781 1.00 0.00 O ATOM 428 CB SER A 29 9.098 -3.156 -3.727 1.00 0.00 C ATOM 429 OG SER A 29 8.368 -3.395 -2.540 1.00 0.00 O ATOM 0 H SER A 29 10.730 -2.848 -5.482 1.00 0.00 H new ATOM 0 HA SER A 29 10.971 -3.847 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.361 -2.100 -3.789 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.474 -3.380 -4.592 1.00 0.00 H new ATOM 0 HG SER A 29 7.653 -2.730 -2.456 1.00 0.00 H new ATOM 435 N GLN A 30 9.726 -6.051 -4.983 1.00 0.00 N ATOM 436 CA GLN A 30 9.427 -7.483 -5.143 1.00 0.00 C ATOM 437 C GLN A 30 10.615 -8.424 -4.853 1.00 0.00 C ATOM 438 O GLN A 30 10.398 -9.605 -4.585 1.00 0.00 O ATOM 439 CB GLN A 30 8.735 -7.741 -6.493 1.00 0.00 C ATOM 440 CG GLN A 30 9.498 -7.275 -7.738 1.00 0.00 C ATOM 441 CD GLN A 30 8.671 -7.434 -9.016 1.00 0.00 C ATOM 442 OE1 GLN A 30 9.089 -8.072 -9.972 1.00 0.00 O ATOM 443 NE2 GLN A 30 7.489 -6.855 -9.103 1.00 0.00 N ATOM 0 H GLN A 30 9.690 -5.523 -5.855 1.00 0.00 H new ATOM 0 HA GLN A 30 8.719 -7.748 -4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.548 -8.811 -6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.763 -7.248 -6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.781 -6.229 -7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.421 -7.847 -7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.124 -6.319 -8.315 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.939 -6.943 -9.958 1.00 0.00 H new ATOM 452 N ARG A 31 11.856 -7.914 -4.825 1.00 0.00 N ATOM 453 CA ARG A 31 13.062 -8.680 -4.443 1.00 0.00 C ATOM 454 C ARG A 31 13.199 -8.794 -2.913 1.00 0.00 C ATOM 455 O ARG A 31 13.753 -9.774 -2.416 1.00 0.00 O ATOM 456 CB ARG A 31 14.284 -8.014 -5.103 1.00 0.00 C ATOM 457 CG ARG A 31 15.600 -8.786 -4.918 1.00 0.00 C ATOM 458 CD ARG A 31 16.735 -8.193 -5.770 1.00 0.00 C ATOM 459 NE ARG A 31 16.978 -6.760 -5.486 1.00 0.00 N ATOM 460 CZ ARG A 31 17.692 -6.228 -4.515 1.00 0.00 C ATOM 461 NH1 ARG A 31 18.302 -6.947 -3.611 1.00 0.00 N ATOM 462 NH2 ARG A 31 17.802 -4.937 -4.446 1.00 0.00 N ATOM 0 H ARG A 31 12.057 -6.945 -5.070 1.00 0.00 H new ATOM 0 HA ARG A 31 12.984 -9.706 -4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 31 14.090 -7.900 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.403 -7.012 -4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.887 -8.768 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.450 -9.831 -5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.651 -8.755 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.491 -8.313 -6.826 1.00 0.00 H new ATOM 0 HE ARG A 31 16.535 -6.099 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.236 -7.964 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.844 -6.491 -2.877 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.339 -4.348 -5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.352 -4.511 -3.700 1.00 0.00 H new ATOM 476 N LEU A 32 12.660 -7.817 -2.168 1.00 0.00 N ATOM 477 CA LEU A 32 12.707 -7.735 -0.699 1.00 0.00 C ATOM 478 C LEU A 32 11.439 -8.317 -0.044 1.00 0.00 C ATOM 479 O LEU A 32 11.526 -9.165 0.846 1.00 0.00 O ATOM 480 CB LEU A 32 12.924 -6.263 -0.277 1.00 0.00 C ATOM 481 CG LEU A 32 14.376 -5.749 -0.348 1.00 0.00 C ATOM 482 CD1 LEU A 32 14.985 -5.750 -1.753 1.00 0.00 C ATOM 483 CD2 LEU A 32 14.430 -4.315 0.181 1.00 0.00 C ATOM 0 H LEU A 32 12.161 -7.033 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 32 13.542 -8.341 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.303 -5.629 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.566 -6.142 0.745 1.00 0.00 H new ATOM 0 HG LEU A 32 14.961 -6.443 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.007 -5.373 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.991 -6.767 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.392 -5.111 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.455 -3.948 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.787 -3.678 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.086 -4.295 1.215 1.00 0.00 H new ATOM 495 N ILE A 33 10.252 -7.900 -0.506 1.00 0.00 N ATOM 496 CA ILE A 33 8.948 -8.330 0.040 1.00 0.00 C ATOM 497 C ILE A 33 8.534 -9.724 -0.498 1.00 0.00 C ATOM 498 O ILE A 33 7.667 -10.388 0.069 1.00 0.00 O ATOM 499 CB ILE A 33 7.888 -7.208 -0.175 1.00 0.00 C ATOM 500 CG1 ILE A 33 8.082 -5.973 0.746 1.00 0.00 C ATOM 501 CG2 ILE A 33 6.455 -7.695 0.107 1.00 0.00 C ATOM 502 CD1 ILE A 33 9.394 -5.192 0.617 1.00 0.00 C ATOM 0 H ILE A 33 10.165 -7.244 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 33 9.030 -8.471 1.118 1.00 0.00 H new ATOM 0 HB ILE A 33 8.032 -6.933 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.260 -5.282 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.990 -6.307 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.754 -6.877 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.213 -8.520 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.382 -8.033 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.391 -4.358 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.233 -5.851 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.492 -4.811 -0.399 1.00 0.00 H new ATOM 514 N GLY A 34 9.216 -10.238 -1.532 1.00 0.00 N ATOM 515 CA GLY A 34 8.862 -11.497 -2.211 1.00 0.00 C ATOM 516 C GLY A 34 9.643 -12.724 -1.742 1.00 0.00 C ATOM 517 O GLY A 34 9.421 -13.822 -2.254 1.00 0.00 O ATOM 0 H GLY A 34 10.041 -9.786 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.798 -11.684 -2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.020 -11.372 -3.282 1.00 0.00 H new ATOM 521 N GLN A 35 10.542 -12.560 -0.762 1.00 0.00 N ATOM 522 CA GLN A 35 11.262 -13.677 -0.133 1.00 0.00 C ATOM 523 C GLN A 35 10.345 -14.365 0.914 1.00 0.00 C ATOM 524 O GLN A 35 10.627 -15.477 1.366 1.00 0.00 O ATOM 525 CB GLN A 35 12.582 -13.132 0.450 1.00 0.00 C ATOM 526 CG GLN A 35 13.492 -14.155 1.153 1.00 0.00 C ATOM 527 CD GLN A 35 13.920 -15.319 0.255 1.00 0.00 C ATOM 528 OE1 GLN A 35 14.947 -15.285 -0.412 1.00 0.00 O ATOM 529 NE2 GLN A 35 13.154 -16.390 0.198 1.00 0.00 N ATOM 0 H GLN A 35 10.791 -11.647 -0.382 1.00 0.00 H new ATOM 0 HA GLN A 35 11.522 -14.451 -0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.148 -12.670 -0.359 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.341 -12.343 1.162 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.382 -13.644 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.971 -14.552 2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.296 -16.433 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.419 -17.176 -0.396 1.00 0.00 H new ATOM 538 N GLN A 36 9.237 -13.703 1.278 1.00 0.00 N ATOM 539 CA GLN A 36 8.182 -14.182 2.157 1.00 0.00 C ATOM 540 C GLN A 36 7.144 -15.054 1.408 1.00 0.00 C ATOM 541 O GLN A 36 7.049 -15.007 0.180 1.00 0.00 O ATOM 542 CB GLN A 36 7.485 -12.981 2.824 1.00 0.00 C ATOM 543 CG GLN A 36 8.342 -12.182 3.822 1.00 0.00 C ATOM 544 CD GLN A 36 8.942 -10.914 3.216 1.00 0.00 C ATOM 545 OE1 GLN A 36 8.383 -9.829 3.275 1.00 0.00 O ATOM 546 NE2 GLN A 36 10.109 -11.011 2.621 1.00 0.00 N ATOM 0 H GLN A 36 9.050 -12.759 0.940 1.00 0.00 H new ATOM 0 HA GLN A 36 8.642 -14.815 2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.143 -12.303 2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.597 -13.342 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.730 -11.912 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.147 -12.818 4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.581 -11.914 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.543 -10.184 2.212 1.00 0.00 H new ATOM 555 N GLY A 37 6.323 -15.809 2.152 1.00 0.00 N ATOM 556 CA GLY A 37 5.217 -16.639 1.629 1.00 0.00 C ATOM 557 C GLY A 37 3.867 -16.400 2.326 1.00 0.00 C ATOM 558 O GLY A 37 3.082 -17.340 2.488 1.00 0.00 O ATOM 0 H GLY A 37 6.409 -15.864 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.103 -16.443 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.486 -17.690 1.733 1.00 0.00 H new ATOM 562 N LEU A 38 3.633 -15.176 2.813 1.00 0.00 N ATOM 563 CA LEU A 38 2.460 -14.772 3.604 1.00 0.00 C ATOM 564 C LEU A 38 1.204 -14.462 2.741 1.00 0.00 C ATOM 565 O LEU A 38 1.155 -14.750 1.543 1.00 0.00 O ATOM 566 CB LEU A 38 2.906 -13.602 4.522 1.00 0.00 C ATOM 567 CG LEU A 38 3.559 -14.000 5.867 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.534 -14.601 6.832 1.00 0.00 C ATOM 569 CD2 LEU A 38 4.735 -14.969 5.744 1.00 0.00 C ATOM 0 H LEU A 38 4.283 -14.405 2.661 1.00 0.00 H new ATOM 0 HA LEU A 38 2.120 -15.605 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.612 -12.982 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.035 -12.982 4.734 1.00 0.00 H new ATOM 0 HG LEU A 38 3.952 -13.061 6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.027 -14.869 7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.751 -13.870 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.093 -15.492 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.129 -15.191 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.398 -15.892 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.518 -14.516 5.136 1.00 0.00 H new ATOM 581 N VAL A 39 0.147 -13.938 3.383 1.00 0.00 N ATOM 582 CA VAL A 39 -1.094 -13.463 2.734 1.00 0.00 C ATOM 583 C VAL A 39 -0.912 -12.065 2.146 1.00 0.00 C ATOM 584 O VAL A 39 -0.101 -11.287 2.645 1.00 0.00 O ATOM 585 CB VAL A 39 -2.323 -13.561 3.664 1.00 0.00 C ATOM 586 CG1 VAL A 39 -2.563 -15.016 4.088 1.00 0.00 C ATOM 587 CG2 VAL A 39 -2.230 -12.702 4.930 1.00 0.00 C ATOM 0 H VAL A 39 0.128 -13.828 4.397 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.300 -14.136 1.902 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.153 -13.176 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.433 -15.065 4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.739 -15.628 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.687 -15.389 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.134 -12.831 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.364 -13.010 5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.126 -11.653 4.651 1.00 0.00 H new ATOM 597 N ASP A 40 -1.721 -11.710 1.132 1.00 0.00 N ATOM 598 CA ASP A 40 -1.712 -10.403 0.427 1.00 0.00 C ATOM 599 C ASP A 40 -1.731 -9.174 1.332 1.00 0.00 C ATOM 600 O ASP A 40 -1.292 -8.089 0.965 1.00 0.00 O ATOM 601 CB ASP A 40 -2.933 -10.316 -0.496 1.00 0.00 C ATOM 602 CG ASP A 40 -4.234 -10.039 0.282 1.00 0.00 C ATOM 603 OD1 ASP A 40 -4.708 -10.965 0.976 1.00 0.00 O ATOM 604 OD2 ASP A 40 -4.751 -8.900 0.201 1.00 0.00 O ATOM 0 H ASP A 40 -2.428 -12.345 0.762 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.766 -10.382 -0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.776 -9.526 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.035 -11.249 -1.050 1.00 0.00 H new ATOM 609 N GLY A 41 -2.084 -9.422 2.577 1.00 0.00 N ATOM 610 CA GLY A 41 -2.298 -8.462 3.622 1.00 0.00 C ATOM 611 C GLY A 41 -1.084 -8.218 4.515 1.00 0.00 C ATOM 612 O GLY A 41 -1.157 -7.420 5.443 1.00 0.00 O ATOM 0 H GLY A 41 -2.239 -10.377 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.599 -7.516 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.128 -8.798 4.243 1.00 0.00 H new ATOM 616 N LEU A 42 0.084 -8.774 4.187 1.00 0.00 N ATOM 617 CA LEU A 42 1.322 -8.467 4.914 1.00 0.00 C ATOM 618 C LEU A 42 2.007 -7.381 4.077 1.00 0.00 C ATOM 619 O LEU A 42 3.151 -7.482 3.639 1.00 0.00 O ATOM 620 CB LEU A 42 2.168 -9.741 5.169 1.00 0.00 C ATOM 621 CG LEU A 42 1.923 -10.458 6.505 1.00 0.00 C ATOM 622 CD1 LEU A 42 2.406 -9.628 7.690 1.00 0.00 C ATOM 623 CD2 LEU A 42 0.464 -10.868 6.681 1.00 0.00 C ATOM 0 H LEU A 42 0.201 -9.440 3.423 1.00 0.00 H new ATOM 0 HA LEU A 42 1.150 -8.096 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.977 -10.447 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.222 -9.470 5.113 1.00 0.00 H new ATOM 0 HG LEU A 42 2.515 -11.373 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.215 -10.170 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.476 -9.443 7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.873 -8.677 7.709 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.341 -11.371 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.169 -9.981 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.177 -11.545 5.877 1.00 0.00 H new ATOM 635 N PHE A 43 1.256 -6.298 3.893 1.00 0.00 N ATOM 636 CA PHE A 43 1.584 -5.183 3.024 1.00 0.00 C ATOM 637 C PHE A 43 2.199 -3.954 3.708 1.00 0.00 C ATOM 638 O PHE A 43 2.263 -3.848 4.934 1.00 0.00 O ATOM 639 CB PHE A 43 0.305 -4.879 2.223 1.00 0.00 C ATOM 640 CG PHE A 43 -0.883 -4.204 2.897 1.00 0.00 C ATOM 641 CD1 PHE A 43 -0.782 -2.927 3.491 1.00 0.00 C ATOM 642 CD2 PHE A 43 -2.160 -4.784 2.748 1.00 0.00 C ATOM 643 CE1 PHE A 43 -1.927 -2.264 3.963 1.00 0.00 C ATOM 644 CE2 PHE A 43 -3.308 -4.108 3.192 1.00 0.00 C ATOM 645 CZ PHE A 43 -3.191 -2.850 3.810 1.00 0.00 C ATOM 0 H PHE A 43 0.363 -6.173 4.370 1.00 0.00 H new ATOM 0 HA PHE A 43 2.406 -5.471 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.594 -4.254 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.051 -5.824 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.185 -2.455 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.256 -5.757 2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.833 -1.302 4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.282 -4.555 3.059 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.072 -2.337 4.166 1.00 0.00 H new ATOM 655 N LEU A 44 2.630 -3.013 2.865 1.00 0.00 N ATOM 656 CA LEU A 44 3.217 -1.711 3.222 1.00 0.00 C ATOM 657 C LEU A 44 2.670 -0.618 2.288 1.00 0.00 C ATOM 658 O LEU A 44 2.557 -0.862 1.086 1.00 0.00 O ATOM 659 CB LEU A 44 4.756 -1.859 3.109 1.00 0.00 C ATOM 660 CG LEU A 44 5.604 -0.579 3.242 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.618 -0.071 4.675 1.00 0.00 C ATOM 662 CD2 LEU A 44 7.048 -0.860 2.822 1.00 0.00 C ATOM 0 H LEU A 44 2.577 -3.143 1.855 1.00 0.00 H new ATOM 0 HA LEU A 44 2.955 -1.415 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.084 -2.561 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.981 -2.313 2.144 1.00 0.00 H new ATOM 0 HG LEU A 44 5.157 0.176 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.225 0.833 4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.599 0.154 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.040 -0.835 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.639 0.051 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.469 -1.636 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.067 -1.195 1.785 1.00 0.00 H new ATOM 674 N VAL A 45 2.356 0.579 2.796 1.00 0.00 N ATOM 675 CA VAL A 45 1.943 1.729 1.961 1.00 0.00 C ATOM 676 C VAL A 45 3.181 2.612 1.797 1.00 0.00 C ATOM 677 O VAL A 45 3.666 3.225 2.746 1.00 0.00 O ATOM 678 CB VAL A 45 0.719 2.501 2.496 1.00 0.00 C ATOM 679 CG1 VAL A 45 0.163 3.437 1.407 1.00 0.00 C ATOM 680 CG2 VAL A 45 -0.416 1.552 2.906 1.00 0.00 C ATOM 0 H VAL A 45 2.379 0.785 3.795 1.00 0.00 H new ATOM 0 HA VAL A 45 1.588 1.368 0.996 1.00 0.00 H new ATOM 0 HB VAL A 45 1.058 3.065 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.700 3.976 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.933 4.150 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.138 2.848 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.260 2.133 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.731 0.967 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.064 0.881 3.690 1.00 0.00 H new ATOM 690 N ARG A 46 3.742 2.589 0.589 1.00 0.00 N ATOM 691 CA ARG A 46 5.000 3.234 0.183 1.00 0.00 C ATOM 692 C ARG A 46 4.878 3.810 -1.213 1.00 0.00 C ATOM 693 O ARG A 46 3.836 3.693 -1.841 1.00 0.00 O ATOM 694 CB ARG A 46 6.109 2.135 0.271 1.00 0.00 C ATOM 695 CG ARG A 46 5.990 0.891 -0.663 1.00 0.00 C ATOM 696 CD ARG A 46 6.211 1.331 -2.114 1.00 0.00 C ATOM 697 NE ARG A 46 6.326 0.313 -3.165 1.00 0.00 N ATOM 698 CZ ARG A 46 6.503 0.689 -4.420 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.969 1.861 -4.742 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.122 -0.053 -5.406 1.00 0.00 N ATOM 0 H ARG A 46 3.306 2.089 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 46 5.250 4.073 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.068 2.613 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.142 1.777 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.726 0.138 -0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.007 0.432 -0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.386 1.990 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.120 1.932 -2.139 1.00 0.00 H new ATOM 0 HE ARG A 46 6.270 -0.678 -2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.213 2.531 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.090 2.110 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.673 -0.951 -5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.270 0.259 -6.366 1.00 0.00 H new ATOM 714 N GLU A 47 5.899 4.494 -1.702 1.00 0.00 N ATOM 715 CA GLU A 47 5.966 4.926 -3.100 1.00 0.00 C ATOM 716 C GLU A 47 7.425 4.883 -3.540 1.00 0.00 C ATOM 717 O GLU A 47 8.194 4.032 -3.088 1.00 0.00 O ATOM 718 CB GLU A 47 5.186 6.243 -3.341 1.00 0.00 C ATOM 719 CG GLU A 47 5.651 7.484 -2.551 1.00 0.00 C ATOM 720 CD GLU A 47 4.944 7.624 -1.201 1.00 0.00 C ATOM 721 OE1 GLU A 47 5.435 7.268 -0.137 1.00 0.00 O ATOM 722 OE2 GLU A 47 3.701 8.177 -1.253 1.00 0.00 O ATOM 0 H GLU A 47 6.708 4.769 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 47 5.436 4.242 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.238 6.478 -4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.137 6.064 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.727 7.424 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.468 8.378 -3.147 1.00 0.00 H new ATOM 730 N SER A 48 7.801 5.806 -4.405 1.00 0.00 N ATOM 731 CA SER A 48 9.156 6.024 -4.859 1.00 0.00 C ATOM 732 C SER A 48 9.427 7.511 -5.011 1.00 0.00 C ATOM 733 O SER A 48 8.528 8.346 -5.083 1.00 0.00 O ATOM 734 CB SER A 48 9.350 5.399 -6.231 1.00 0.00 C ATOM 735 OG SER A 48 9.128 4.030 -6.143 1.00 0.00 O ATOM 0 H SER A 48 7.136 6.453 -4.829 1.00 0.00 H new ATOM 0 HA SER A 48 9.829 5.580 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.662 5.846 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.359 5.594 -6.593 1.00 0.00 H new ATOM 0 HG SER A 48 8.933 3.672 -7.034 1.00 0.00 H new ATOM 741 N GLN A 49 10.707 7.783 -5.193 1.00 0.00 N ATOM 742 CA GLN A 49 11.267 9.088 -5.521 1.00 0.00 C ATOM 743 C GLN A 49 11.505 9.099 -7.077 1.00 0.00 C ATOM 744 O GLN A 49 12.140 9.994 -7.634 1.00 0.00 O ATOM 745 CB GLN A 49 12.467 9.305 -4.559 1.00 0.00 C ATOM 746 CG GLN A 49 13.815 8.740 -5.059 1.00 0.00 C ATOM 747 CD GLN A 49 13.689 7.327 -5.617 1.00 0.00 C ATOM 748 OE1 GLN A 49 13.147 6.427 -5.002 1.00 0.00 O ATOM 749 NE2 GLN A 49 14.033 7.066 -6.848 1.00 0.00 N ATOM 0 H GLN A 49 11.425 7.063 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 49 10.637 9.962 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.582 10.374 -4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.231 8.846 -3.599 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.216 9.397 -5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.531 8.739 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.491 7.782 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.844 6.146 -7.246 1.00 0.00 H new ATOM 758 N ARG A 50 10.945 8.057 -7.744 1.00 0.00 N ATOM 759 CA ARG A 50 10.828 7.697 -9.176 1.00 0.00 C ATOM 760 C ARG A 50 9.432 8.105 -9.676 1.00 0.00 C ATOM 761 O ARG A 50 9.342 9.194 -10.237 1.00 0.00 O ATOM 762 CB ARG A 50 11.150 6.195 -9.348 1.00 0.00 C ATOM 763 CG ARG A 50 11.094 5.666 -10.791 1.00 0.00 C ATOM 764 CD ARG A 50 11.182 4.133 -10.755 1.00 0.00 C ATOM 765 NE ARG A 50 11.315 3.541 -12.099 1.00 0.00 N ATOM 766 CZ ARG A 50 11.298 2.249 -12.381 1.00 0.00 C ATOM 767 NH1 ARG A 50 11.057 1.322 -11.501 1.00 0.00 N ATOM 768 NH2 ARG A 50 11.515 1.806 -13.579 1.00 0.00 N ATOM 0 H ARG A 50 10.490 7.332 -7.190 1.00 0.00 H new ATOM 0 HA ARG A 50 11.548 8.235 -9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.147 6.007 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.451 5.620 -8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.169 5.981 -11.274 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.915 6.078 -11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.035 3.836 -10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.290 3.733 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 50 11.430 4.186 -12.881 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.867 1.576 -10.532 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.058 0.341 -11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.706 2.460 -14.338 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.495 0.803 -13.763 1.00 0.00 H new ATOM 782 N ASN A 51 8.352 7.312 -9.469 1.00 0.00 N ATOM 783 CA ASN A 51 6.994 7.759 -9.826 1.00 0.00 C ATOM 784 C ASN A 51 6.660 9.121 -9.154 1.00 0.00 C ATOM 785 O ASN A 51 6.608 9.179 -7.922 1.00 0.00 O ATOM 786 CB ASN A 51 5.960 6.685 -9.412 1.00 0.00 C ATOM 787 CG ASN A 51 5.438 5.958 -10.635 1.00 0.00 C ATOM 788 OD1 ASN A 51 4.537 6.425 -11.319 1.00 0.00 O ATOM 789 ND2 ASN A 51 6.049 4.861 -10.999 1.00 0.00 N ATOM 0 H ASN A 51 8.398 6.377 -9.064 1.00 0.00 H new ATOM 0 HA ASN A 51 6.950 7.898 -10.906 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.420 5.973 -8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.133 7.153 -8.878 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.776 4.387 -11.860 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.799 4.479 -10.422 1.00 0.00 H new ATOM 796 N PRO A 52 6.394 10.209 -9.912 1.00 0.00 N ATOM 797 CA PRO A 52 6.148 11.545 -9.340 1.00 0.00 C ATOM 798 C PRO A 52 4.729 11.707 -8.760 1.00 0.00 C ATOM 799 O PRO A 52 4.441 12.669 -8.047 1.00 0.00 O ATOM 800 CB PRO A 52 6.416 12.514 -10.498 1.00 0.00 C ATOM 801 CG PRO A 52 6.018 11.711 -11.734 1.00 0.00 C ATOM 802 CD PRO A 52 6.426 10.286 -11.370 1.00 0.00 C ATOM 0 HA PRO A 52 6.795 11.734 -8.483 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.825 13.425 -10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.463 12.815 -10.535 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.949 11.785 -11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.536 12.063 -12.627 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.743 9.561 -11.812 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.422 10.058 -11.749 1.00 0.00 H new ATOM 810 N GLN A 53 3.845 10.751 -9.067 1.00 0.00 N ATOM 811 CA GLN A 53 2.429 10.685 -8.697 1.00 0.00 C ATOM 812 C GLN A 53 2.172 9.461 -7.793 1.00 0.00 C ATOM 813 O GLN A 53 1.077 8.907 -7.855 1.00 0.00 O ATOM 814 CB GLN A 53 1.603 10.648 -10.002 1.00 0.00 C ATOM 815 CG GLN A 53 1.741 11.928 -10.849 1.00 0.00 C ATOM 816 CD GLN A 53 1.035 11.813 -12.201 1.00 0.00 C ATOM 817 OE1 GLN A 53 -0.015 12.394 -12.442 1.00 0.00 O ATOM 818 NE2 GLN A 53 1.577 11.066 -13.143 1.00 0.00 N ATOM 0 H GLN A 53 4.123 9.942 -9.623 1.00 0.00 H new ATOM 0 HA GLN A 53 2.129 11.559 -8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.917 9.791 -10.598 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.552 10.496 -9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.327 12.772 -10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.798 12.141 -11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.452 10.573 -12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.121 10.981 -14.052 1.00 0.00 H new ATOM 827 N GLY A 54 3.123 9.036 -6.932 1.00 0.00 N ATOM 828 CA GLY A 54 2.957 7.788 -6.174 1.00 0.00 C ATOM 829 C GLY A 54 2.431 7.782 -4.735 1.00 0.00 C ATOM 830 O GLY A 54 2.935 8.427 -3.817 1.00 0.00 O ATOM 0 H GLY A 54 3.996 9.532 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.290 7.152 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.930 7.298 -6.156 1.00 0.00 H new ATOM 834 N PHE A 55 1.418 6.926 -4.594 1.00 0.00 N ATOM 835 CA PHE A 55 0.653 6.487 -3.416 1.00 0.00 C ATOM 836 C PHE A 55 0.299 4.971 -3.520 1.00 0.00 C ATOM 837 O PHE A 55 -0.862 4.613 -3.708 1.00 0.00 O ATOM 838 CB PHE A 55 -0.610 7.370 -3.302 1.00 0.00 C ATOM 839 CG PHE A 55 -0.361 8.869 -3.349 1.00 0.00 C ATOM 840 CD1 PHE A 55 -0.052 9.576 -2.172 1.00 0.00 C ATOM 841 CD2 PHE A 55 -0.418 9.555 -4.582 1.00 0.00 C ATOM 842 CE1 PHE A 55 0.202 10.959 -2.227 1.00 0.00 C ATOM 843 CE2 PHE A 55 -0.154 10.933 -4.637 1.00 0.00 C ATOM 844 CZ PHE A 55 0.154 11.638 -3.459 1.00 0.00 C ATOM 0 H PHE A 55 1.061 6.454 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 55 1.251 6.603 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.292 7.106 -4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.117 7.132 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.010 9.057 -1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.665 9.018 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.434 11.501 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.187 11.452 -5.584 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.353 12.699 -3.500 1.00 0.00 H new ATOM 854 N VAL A 56 1.279 4.058 -3.465 1.00 0.00 N ATOM 855 CA VAL A 56 1.111 2.593 -3.668 1.00 0.00 C ATOM 856 C VAL A 56 0.990 1.792 -2.370 1.00 0.00 C ATOM 857 O VAL A 56 1.618 2.049 -1.349 1.00 0.00 O ATOM 858 CB VAL A 56 2.224 1.947 -4.586 1.00 0.00 C ATOM 859 CG1 VAL A 56 3.353 2.908 -5.000 1.00 0.00 C ATOM 860 CG2 VAL A 56 2.987 0.771 -3.960 1.00 0.00 C ATOM 0 H VAL A 56 2.247 4.317 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 56 0.157 2.526 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 56 1.608 1.634 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.070 2.378 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.932 3.745 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.858 3.282 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.727 0.399 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.490 1.105 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.287 -0.027 -3.714 1.00 0.00 H new ATOM 870 N LEU A 57 0.185 0.741 -2.473 1.00 0.00 N ATOM 871 CA LEU A 57 -0.011 -0.290 -1.466 1.00 0.00 C ATOM 872 C LEU A 57 0.778 -1.484 -2.054 1.00 0.00 C ATOM 873 O LEU A 57 0.538 -1.866 -3.198 1.00 0.00 O ATOM 874 CB LEU A 57 -1.533 -0.483 -1.292 1.00 0.00 C ATOM 875 CG LEU A 57 -1.973 -1.289 -0.066 1.00 0.00 C ATOM 876 CD1 LEU A 57 -3.485 -1.506 -0.106 1.00 0.00 C ATOM 877 CD2 LEU A 57 -1.279 -2.642 -0.046 1.00 0.00 C ATOM 0 H LEU A 57 -0.378 0.578 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 57 0.348 -0.092 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.000 0.500 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.921 -0.975 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.702 -0.732 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.793 -2.080 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.991 -0.541 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.750 -2.053 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.602 -3.203 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.538 -3.197 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.199 -2.497 -0.007 1.00 0.00 H new ATOM 889 N SER A 58 1.777 -2.006 -1.342 1.00 0.00 N ATOM 890 CA SER A 58 2.692 -3.066 -1.804 1.00 0.00 C ATOM 891 C SER A 58 2.318 -4.310 -1.018 1.00 0.00 C ATOM 892 O SER A 58 2.504 -4.322 0.193 1.00 0.00 O ATOM 893 CB SER A 58 4.151 -2.631 -1.631 1.00 0.00 C ATOM 894 OG SER A 58 4.461 -2.177 -0.331 1.00 0.00 O ATOM 0 H SER A 58 1.984 -1.695 -0.393 1.00 0.00 H new ATOM 0 HA SER A 58 2.596 -3.273 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.802 -3.470 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.370 -1.837 -2.345 1.00 0.00 H new ATOM 0 HG SER A 58 3.738 -1.602 -0.004 1.00 0.00 H new ATOM 900 N LEU A 59 1.884 -5.371 -1.691 1.00 0.00 N ATOM 901 CA LEU A 59 1.320 -6.566 -1.055 1.00 0.00 C ATOM 902 C LEU A 59 2.306 -7.706 -0.838 1.00 0.00 C ATOM 903 O LEU A 59 3.326 -7.768 -1.523 1.00 0.00 O ATOM 904 CB LEU A 59 0.182 -7.036 -1.980 1.00 0.00 C ATOM 905 CG LEU A 59 -0.895 -5.971 -2.267 1.00 0.00 C ATOM 906 CD1 LEU A 59 -1.657 -6.397 -3.506 1.00 0.00 C ATOM 907 CD2 LEU A 59 -1.870 -5.811 -1.107 1.00 0.00 C ATOM 0 H LEU A 59 1.913 -5.430 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 59 0.990 -6.297 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.613 -7.362 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.297 -7.906 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.402 -5.009 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.427 -5.659 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.969 -6.473 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.124 -7.366 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.610 -5.050 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.374 -6.760 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.325 -5.508 -0.213 1.00 0.00 H new ATOM 919 N CYS A 60 1.984 -8.642 0.074 1.00 0.00 N ATOM 920 CA CYS A 60 2.898 -9.779 0.316 1.00 0.00 C ATOM 921 C CYS A 60 2.120 -11.064 0.064 1.00 0.00 C ATOM 922 O CYS A 60 2.003 -11.941 0.912 1.00 0.00 O ATOM 923 CB CYS A 60 3.545 -9.662 1.693 1.00 0.00 C ATOM 924 SG CYS A 60 4.845 -10.900 1.922 1.00 0.00 S ATOM 0 H CYS A 60 1.133 -8.640 0.637 1.00 0.00 H new ATOM 0 HA CYS A 60 3.744 -9.781 -0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.966 -8.664 1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.785 -9.784 2.465 1.00 0.00 H new ATOM 0 HG CYS A 60 5.855 -10.616 1.154 1.00 0.00 H new ATOM 930 N HIS A 61 1.524 -11.113 -1.129 1.00 0.00 N ATOM 931 CA HIS A 61 0.613 -12.167 -1.529 1.00 0.00 C ATOM 932 C HIS A 61 1.254 -13.564 -1.668 1.00 0.00 C ATOM 933 O HIS A 61 2.463 -13.762 -1.518 1.00 0.00 O ATOM 934 CB HIS A 61 -0.214 -11.594 -2.693 1.00 0.00 C ATOM 935 CG HIS A 61 -0.957 -12.499 -3.645 1.00 0.00 C ATOM 936 ND1 HIS A 61 -0.381 -13.318 -4.617 1.00 0.00 N ATOM 937 CD2 HIS A 61 -2.313 -12.604 -3.725 1.00 0.00 C ATOM 938 CE1 HIS A 61 -1.411 -13.889 -5.268 1.00 0.00 C ATOM 939 NE2 HIS A 61 -2.578 -13.485 -4.748 1.00 0.00 N ATOM 0 H HIS A 61 1.669 -10.406 -1.850 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.088 -12.436 -0.739 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.950 -10.918 -2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.462 -10.986 -3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.038 -12.095 -3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.311 -14.577 -6.094 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.504 -13.780 -5.058 1.00 0.00 H new ATOM 947 N LEU A 62 0.400 -14.528 -2.012 1.00 0.00 N ATOM 948 CA LEU A 62 0.710 -15.973 -2.068 1.00 0.00 C ATOM 949 C LEU A 62 1.055 -16.622 -3.368 1.00 0.00 C ATOM 950 O LEU A 62 1.164 -17.848 -3.450 1.00 0.00 O ATOM 951 CB LEU A 62 -0.194 -16.777 -1.106 1.00 0.00 C ATOM 952 CG LEU A 62 -1.553 -17.231 -1.678 1.00 0.00 C ATOM 953 CD1 LEU A 62 -2.407 -17.835 -0.563 1.00 0.00 C ATOM 954 CD2 LEU A 62 -2.369 -16.103 -2.314 1.00 0.00 C ATOM 0 H LEU A 62 -0.566 -14.325 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 62 1.731 -16.013 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.353 -17.661 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.379 -16.170 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.313 -17.955 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.366 -18.154 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.891 -18.694 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.574 -17.088 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.310 -16.503 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.575 -15.337 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.804 -15.665 -3.137 1.00 0.00 H new ATOM 966 N GLN A 63 1.302 -15.767 -4.347 1.00 0.00 N ATOM 967 CA GLN A 63 1.849 -16.229 -5.596 1.00 0.00 C ATOM 968 C GLN A 63 2.771 -15.195 -6.237 1.00 0.00 C ATOM 969 O GLN A 63 3.698 -15.556 -6.966 1.00 0.00 O ATOM 970 CB GLN A 63 0.807 -16.721 -6.622 1.00 0.00 C ATOM 971 CG GLN A 63 -0.208 -17.786 -6.174 1.00 0.00 C ATOM 972 CD GLN A 63 -1.197 -18.164 -7.282 1.00 0.00 C ATOM 973 OE1 GLN A 63 -1.297 -17.533 -8.330 1.00 0.00 O ATOM 974 NE2 GLN A 63 -1.985 -19.201 -7.090 1.00 0.00 N ATOM 0 H GLN A 63 1.132 -14.763 -4.296 1.00 0.00 H new ATOM 0 HA GLN A 63 2.432 -17.106 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.247 -15.853 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.348 -17.117 -7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.327 -18.679 -5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.760 -17.415 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.918 -19.739 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.662 -19.466 -7.805 1.00 0.00 H new ATOM 983 N LYS A 64 2.531 -13.911 -5.943 1.00 0.00 N ATOM 984 CA LYS A 64 3.375 -12.799 -6.364 1.00 0.00 C ATOM 985 C LYS A 64 3.330 -11.660 -5.343 1.00 0.00 C ATOM 986 O LYS A 64 2.527 -11.692 -4.415 1.00 0.00 O ATOM 987 CB LYS A 64 2.946 -12.313 -7.766 1.00 0.00 C ATOM 988 CG LYS A 64 1.498 -11.776 -7.846 1.00 0.00 C ATOM 989 CD LYS A 64 0.424 -12.821 -8.220 1.00 0.00 C ATOM 990 CE LYS A 64 0.639 -13.433 -9.619 1.00 0.00 C ATOM 991 NZ LYS A 64 -0.451 -14.383 -9.997 1.00 0.00 N ATOM 0 H LYS A 64 1.725 -13.616 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 64 4.407 -13.144 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.629 -11.527 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.053 -13.138 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.236 -11.340 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.467 -10.970 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.426 -13.618 -7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.559 -12.353 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.694 -12.634 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.596 -13.954 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.263 -14.768 -10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.488 -15.161 -9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.362 -13.882 -10.002 1.00 0.00 H new ATOM 1005 N VAL A 65 4.150 -10.628 -5.533 1.00 0.00 N ATOM 1006 CA VAL A 65 4.139 -9.407 -4.709 1.00 0.00 C ATOM 1007 C VAL A 65 4.060 -8.164 -5.605 1.00 0.00 C ATOM 1008 O VAL A 65 5.054 -7.660 -6.127 1.00 0.00 O ATOM 1009 CB VAL A 65 5.284 -9.409 -3.684 1.00 0.00 C ATOM 1010 CG1 VAL A 65 5.090 -10.572 -2.703 1.00 0.00 C ATOM 1011 CG2 VAL A 65 6.683 -9.593 -4.268 1.00 0.00 C ATOM 0 H VAL A 65 4.853 -10.610 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 65 3.238 -9.381 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 65 5.234 -8.422 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.902 -10.574 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.138 -10.456 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.092 -11.514 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.418 -9.580 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.736 -10.547 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.895 -8.783 -4.966 1.00 0.00 H new ATOM 1021 N LYS A 66 2.823 -7.708 -5.833 1.00 0.00 N ATOM 1022 CA LYS A 66 2.472 -6.599 -6.741 1.00 0.00 C ATOM 1023 C LYS A 66 2.109 -5.320 -5.978 1.00 0.00 C ATOM 1024 O LYS A 66 1.935 -5.330 -4.756 1.00 0.00 O ATOM 1025 CB LYS A 66 1.405 -7.048 -7.765 1.00 0.00 C ATOM 1026 CG LYS A 66 0.033 -7.387 -7.155 1.00 0.00 C ATOM 1027 CD LYS A 66 -1.021 -7.717 -8.225 1.00 0.00 C ATOM 1028 CE LYS A 66 -0.769 -9.048 -8.950 1.00 0.00 C ATOM 1029 NZ LYS A 66 -1.799 -9.295 -10.004 1.00 0.00 N ATOM 0 H LYS A 66 2.006 -8.113 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 66 3.357 -6.332 -7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.274 -6.257 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.777 -7.923 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.139 -8.236 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.313 -6.545 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.004 -7.749 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.045 -6.912 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.222 -9.036 -9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.780 -9.865 -8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.602 -10.201 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.742 -9.330 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.770 -8.526 -10.704 1.00 0.00 H new ATOM 1043 N HIS A 67 1.982 -4.224 -6.724 1.00 0.00 N ATOM 1044 CA HIS A 67 1.768 -2.864 -6.212 1.00 0.00 C ATOM 1045 C HIS A 67 0.426 -2.275 -6.665 1.00 0.00 C ATOM 1046 O HIS A 67 -0.164 -2.748 -7.627 1.00 0.00 O ATOM 1047 CB HIS A 67 3.023 -2.055 -6.577 1.00 0.00 C ATOM 1048 CG HIS A 67 4.253 -2.723 -6.006 1.00 0.00 C ATOM 1049 ND1 HIS A 67 4.742 -2.531 -4.716 1.00 0.00 N ATOM 1050 CD2 HIS A 67 4.913 -3.778 -6.566 1.00 0.00 C ATOM 1051 CE1 HIS A 67 5.666 -3.489 -4.524 1.00 0.00 C ATOM 1052 NE2 HIS A 67 5.801 -4.240 -5.625 1.00 0.00 N ATOM 0 H HIS A 67 2.027 -4.256 -7.743 1.00 0.00 H new ATOM 0 HA HIS A 67 1.661 -2.845 -5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.112 -1.976 -7.660 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.937 -1.040 -6.189 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.765 -4.174 -7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.222 -3.633 -3.609 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.449 -5.018 -5.744 1.00 0.00 H new ATOM 1060 N TYR A 68 -0.047 -1.209 -6.008 1.00 0.00 N ATOM 1061 CA TYR A 68 -1.393 -0.636 -6.236 1.00 0.00 C ATOM 1062 C TYR A 68 -1.517 0.806 -6.768 1.00 0.00 C ATOM 1063 O TYR A 68 -2.608 1.355 -6.731 1.00 0.00 O ATOM 1064 CB TYR A 68 -2.144 -0.813 -4.903 1.00 0.00 C ATOM 1065 CG TYR A 68 -3.652 -0.953 -4.956 1.00 0.00 C ATOM 1066 CD1 TYR A 68 -4.216 -2.201 -5.277 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -4.480 0.113 -4.559 1.00 0.00 C ATOM 1068 CE1 TYR A 68 -5.609 -2.388 -5.185 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -5.873 -0.067 -4.473 1.00 0.00 C ATOM 1070 CZ TYR A 68 -6.437 -1.324 -4.766 1.00 0.00 C ATOM 1071 OH TYR A 68 -7.773 -1.519 -4.622 1.00 0.00 O ATOM 0 H TYR A 68 0.491 -0.712 -5.298 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.820 -1.178 -7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.743 -1.697 -4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.909 0.042 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.581 -3.015 -5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.045 1.072 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.043 -3.345 -5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.508 0.757 -4.183 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.029 -2.361 -5.052 1.00 0.00 H new ATOM 1081 N LEU A 69 -0.482 1.456 -7.304 1.00 0.00 N ATOM 1082 CA LEU A 69 -0.530 2.876 -7.704 1.00 0.00 C ATOM 1083 C LEU A 69 -0.400 3.156 -9.201 1.00 0.00 C ATOM 1084 O LEU A 69 0.378 2.497 -9.864 1.00 0.00 O ATOM 1085 CB LEU A 69 0.656 3.544 -7.027 1.00 0.00 C ATOM 1086 CG LEU A 69 0.999 5.002 -7.315 1.00 0.00 C ATOM 1087 CD1 LEU A 69 1.774 5.212 -8.619 1.00 0.00 C ATOM 1088 CD2 LEU A 69 -0.222 5.915 -7.151 1.00 0.00 C ATOM 0 H LEU A 69 0.421 1.015 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.513 3.248 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.501 3.458 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.539 2.953 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 69 1.710 5.310 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.980 6.274 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.714 4.662 -8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.180 4.849 -9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.063 6.945 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.005 5.604 -7.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.593 5.846 -6.129 1.00 0.00 H new ATOM 1100 N ILE A 70 -1.162 4.121 -9.726 1.00 0.00 N ATOM 1101 CA ILE A 70 -1.021 4.626 -11.111 1.00 0.00 C ATOM 1102 C ILE A 70 -1.231 6.151 -11.141 1.00 0.00 C ATOM 1103 O ILE A 70 -0.442 6.869 -11.758 1.00 0.00 O ATOM 1104 CB ILE A 70 -1.923 3.922 -12.145 1.00 0.00 C ATOM 1105 CG1 ILE A 70 -1.650 2.408 -12.257 1.00 0.00 C ATOM 1106 CG2 ILE A 70 -1.755 4.551 -13.543 1.00 0.00 C ATOM 1107 CD1 ILE A 70 -0.298 2.011 -12.828 1.00 0.00 C ATOM 0 H ILE A 70 -1.905 4.584 -9.202 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.003 4.385 -11.417 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.942 4.059 -11.784 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.745 1.968 -11.264 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.428 1.964 -12.878 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.402 4.036 -14.254 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.027 5.606 -13.502 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.717 4.456 -13.862 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.221 0.924 -12.858 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.198 2.410 -13.837 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.495 2.414 -12.198 1.00 0.00 H new ATOM 1119 N LEU A 71 -2.267 6.649 -10.444 1.00 0.00 N ATOM 1120 CA LEU A 71 -2.675 8.062 -10.484 1.00 0.00 C ATOM 1121 C LEU A 71 -2.659 8.770 -9.103 1.00 0.00 C ATOM 1122 O LEU A 71 -2.764 8.097 -8.074 1.00 0.00 O ATOM 1123 CB LEU A 71 -4.105 8.086 -11.070 1.00 0.00 C ATOM 1124 CG LEU A 71 -4.414 7.201 -12.307 1.00 0.00 C ATOM 1125 CD1 LEU A 71 -5.923 7.073 -12.507 1.00 0.00 C ATOM 1126 CD2 LEU A 71 -3.781 7.707 -13.597 1.00 0.00 C ATOM 0 H LEU A 71 -2.849 6.076 -9.832 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.956 8.613 -11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.793 7.797 -10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.338 9.118 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.971 6.229 -12.092 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.123 6.449 -13.378 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.370 6.616 -11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.355 8.062 -12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.041 7.038 -14.417 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.151 8.709 -13.815 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.697 7.737 -13.483 1.00 0.00 H new ATOM 1138 N PRO A 72 -2.588 10.120 -9.076 1.00 0.00 N ATOM 1139 CA PRO A 72 -2.724 10.942 -7.871 1.00 0.00 C ATOM 1140 C PRO A 72 -4.209 11.316 -7.643 1.00 0.00 C ATOM 1141 O PRO A 72 -5.112 10.540 -7.972 1.00 0.00 O ATOM 1142 CB PRO A 72 -1.812 12.139 -8.180 1.00 0.00 C ATOM 1143 CG PRO A 72 -2.119 12.402 -9.653 1.00 0.00 C ATOM 1144 CD PRO A 72 -2.331 10.995 -10.219 1.00 0.00 C ATOM 0 HA PRO A 72 -2.434 10.454 -6.940 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.045 13.001 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.760 11.903 -8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.006 13.024 -9.775 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.297 12.917 -10.150 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.170 10.980 -10.915 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.452 10.663 -10.771 1.00 0.00 H new ATOM 1152 N SER A 73 -4.485 12.492 -7.070 1.00 0.00 N ATOM 1153 CA SER A 73 -5.839 13.041 -6.889 1.00 0.00 C ATOM 1154 C SER A 73 -6.523 13.389 -8.226 1.00 0.00 C ATOM 1155 O SER A 73 -5.853 13.670 -9.224 1.00 0.00 O ATOM 1156 CB SER A 73 -5.803 14.255 -5.948 1.00 0.00 C ATOM 1157 OG SER A 73 -4.887 15.236 -6.412 1.00 0.00 O ATOM 0 H SER A 73 -3.756 13.107 -6.709 1.00 0.00 H new ATOM 0 HA SER A 73 -6.446 12.260 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.799 14.690 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.519 13.934 -4.946 1.00 0.00 H new ATOM 0 HG SER A 73 -4.885 15.998 -5.796 1.00 0.00 H new ATOM 1163 N GLU A 74 -7.861 13.351 -8.279 1.00 0.00 N ATOM 1164 CA GLU A 74 -8.677 13.678 -9.467 1.00 0.00 C ATOM 1165 C GLU A 74 -9.946 14.481 -9.088 1.00 0.00 C ATOM 1166 O GLU A 74 -10.153 14.812 -7.920 1.00 0.00 O ATOM 1167 CB GLU A 74 -9.012 12.363 -10.207 1.00 0.00 C ATOM 1168 CG GLU A 74 -7.809 11.666 -10.878 1.00 0.00 C ATOM 1169 CD GLU A 74 -7.250 12.437 -12.081 1.00 0.00 C ATOM 1170 OE1 GLU A 74 -7.679 12.319 -13.226 1.00 0.00 O ATOM 1171 OE2 GLU A 74 -6.220 13.285 -11.823 1.00 0.00 O ATOM 0 H GLU A 74 -8.428 13.084 -7.474 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.110 14.327 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.465 11.670 -9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.762 12.574 -10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.017 11.535 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.111 10.670 -11.203 1.00 0.00 H new ATOM 1179 N GLU A 75 -10.806 14.798 -10.067 1.00 0.00 N ATOM 1180 CA GLU A 75 -11.999 15.654 -9.873 1.00 0.00 C ATOM 1181 C GLU A 75 -13.325 14.885 -9.692 1.00 0.00 C ATOM 1182 O GLU A 75 -14.285 15.443 -9.160 1.00 0.00 O ATOM 1183 CB GLU A 75 -12.088 16.680 -11.019 1.00 0.00 C ATOM 1184 CG GLU A 75 -12.377 16.064 -12.396 1.00 0.00 C ATOM 1185 CD GLU A 75 -12.433 17.155 -13.481 1.00 0.00 C ATOM 1186 OE1 GLU A 75 -13.527 17.723 -13.723 1.00 0.00 O ATOM 1187 OE2 GLU A 75 -11.385 17.453 -14.105 1.00 0.00 O ATOM 0 H GLU A 75 -10.697 14.468 -11.026 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.859 16.169 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.871 17.402 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.150 17.232 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.603 15.337 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.324 15.525 -12.367 1.00 0.00 H new ATOM 1194 N GLU A 76 -13.380 13.602 -10.081 1.00 0.00 N ATOM 1195 CA GLU A 76 -14.539 12.703 -9.873 1.00 0.00 C ATOM 1196 C GLU A 76 -14.266 11.615 -8.807 1.00 0.00 C ATOM 1197 O GLU A 76 -14.949 10.590 -8.730 1.00 0.00 O ATOM 1198 CB GLU A 76 -15.067 12.160 -11.214 1.00 0.00 C ATOM 1199 CG GLU A 76 -14.102 11.227 -11.958 1.00 0.00 C ATOM 1200 CD GLU A 76 -14.796 10.617 -13.191 1.00 0.00 C ATOM 1201 OE1 GLU A 76 -15.509 9.593 -13.041 1.00 0.00 O ATOM 1202 OE2 GLU A 76 -14.629 11.148 -14.316 1.00 0.00 O ATOM 0 H GLU A 76 -12.605 13.145 -10.561 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.350 13.294 -9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.999 11.624 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.306 13.003 -11.862 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.215 11.781 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.766 10.433 -11.291 1.00 0.00 H new ATOM 1209 N GLY A 77 -13.246 11.851 -7.979 1.00 0.00 N ATOM 1210 CA GLY A 77 -12.769 10.999 -6.886 1.00 0.00 C ATOM 1211 C GLY A 77 -11.672 11.717 -6.101 1.00 0.00 C ATOM 1212 O GLY A 77 -11.559 12.942 -6.173 1.00 0.00 O ATOM 0 H GLY A 77 -12.692 12.703 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.597 10.748 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.386 10.061 -7.287 1.00 0.00 H new ATOM 1216 N ARG A 78 -10.867 10.984 -5.331 1.00 0.00 N ATOM 1217 CA ARG A 78 -9.687 11.509 -4.603 1.00 0.00 C ATOM 1218 C ARG A 78 -8.459 10.803 -5.179 1.00 0.00 C ATOM 1219 O ARG A 78 -8.302 10.857 -6.397 1.00 0.00 O ATOM 1220 CB ARG A 78 -9.877 11.395 -3.078 1.00 0.00 C ATOM 1221 CG ARG A 78 -11.163 12.018 -2.497 1.00 0.00 C ATOM 1222 CD ARG A 78 -11.139 13.553 -2.394 1.00 0.00 C ATOM 1223 NE ARG A 78 -11.145 14.213 -3.715 1.00 0.00 N ATOM 1224 CZ ARG A 78 -10.818 15.458 -4.003 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -10.546 16.335 -3.079 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -10.752 15.836 -5.248 1.00 0.00 N ATOM 0 H ARG A 78 -11.011 9.985 -5.186 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.547 12.580 -4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.858 10.339 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.021 11.863 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.008 11.721 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.336 11.603 -1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.004 13.888 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.251 13.862 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.438 13.635 -4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.582 16.067 -2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.297 17.289 -3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.953 15.170 -5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.500 16.798 -5.476 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.587 10.177 -4.375 1.00 0.00 N ATOM 1241 CA LEU A 79 -6.467 9.377 -4.901 1.00 0.00 C ATOM 1242 C LEU A 79 -7.092 8.281 -5.784 1.00 0.00 C ATOM 1243 O LEU A 79 -7.812 7.427 -5.268 1.00 0.00 O ATOM 1244 CB LEU A 79 -5.628 8.786 -3.751 1.00 0.00 C ATOM 1245 CG LEU A 79 -4.867 9.815 -2.893 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -4.071 9.082 -1.813 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -3.894 10.662 -3.716 1.00 0.00 C ATOM 0 H LEU A 79 -7.635 10.208 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.780 9.988 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.288 8.212 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.907 8.085 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.611 10.482 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.531 9.807 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.753 8.513 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.360 8.402 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.385 11.370 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.158 10.013 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.445 11.207 -4.482 1.00 0.00 H new ATOM 1259 N TYR A 80 -6.869 8.317 -7.100 1.00 0.00 N ATOM 1260 CA TYR A 80 -7.542 7.407 -8.032 1.00 0.00 C ATOM 1261 C TYR A 80 -6.984 5.965 -8.062 1.00 0.00 C ATOM 1262 O TYR A 80 -5.780 5.747 -8.197 1.00 0.00 O ATOM 1263 CB TYR A 80 -7.693 8.077 -9.403 1.00 0.00 C ATOM 1264 CG TYR A 80 -8.892 7.631 -10.225 1.00 0.00 C ATOM 1265 CD1 TYR A 80 -8.953 6.343 -10.798 1.00 0.00 C ATOM 1266 CD2 TYR A 80 -9.950 8.536 -10.446 1.00 0.00 C ATOM 1267 CE1 TYR A 80 -10.058 5.968 -11.590 1.00 0.00 C ATOM 1268 CE2 TYR A 80 -11.039 8.176 -11.259 1.00 0.00 C ATOM 1269 CZ TYR A 80 -11.101 6.887 -11.826 1.00 0.00 C ATOM 1270 OH TYR A 80 -12.191 6.531 -12.555 1.00 0.00 O ATOM 0 H TYR A 80 -6.225 8.970 -7.546 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.546 7.233 -7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.757 9.155 -9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.788 7.888 -9.981 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.150 5.641 -10.629 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.924 9.513 -9.987 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.105 4.977 -12.016 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.829 8.888 -11.449 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.358 5.572 -12.446 1.00 0.00 H new ATOM 1280 N PHE A 81 -7.899 4.985 -7.995 1.00 0.00 N ATOM 1281 CA PHE A 81 -7.650 3.536 -8.002 1.00 0.00 C ATOM 1282 C PHE A 81 -8.721 2.757 -8.785 1.00 0.00 C ATOM 1283 O PHE A 81 -9.898 3.102 -8.706 1.00 0.00 O ATOM 1284 CB PHE A 81 -7.338 2.932 -6.619 1.00 0.00 C ATOM 1285 CG PHE A 81 -6.310 3.635 -5.740 1.00 0.00 C ATOM 1286 CD1 PHE A 81 -4.947 3.313 -5.862 1.00 0.00 C ATOM 1287 CD2 PHE A 81 -6.713 4.525 -4.726 1.00 0.00 C ATOM 1288 CE1 PHE A 81 -3.997 3.857 -4.974 1.00 0.00 C ATOM 1289 CE2 PHE A 81 -5.766 5.078 -3.842 1.00 0.00 C ATOM 1290 CZ PHE A 81 -4.407 4.744 -3.967 1.00 0.00 C ATOM 0 H PHE A 81 -8.895 5.197 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.718 3.413 -8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.273 2.879 -6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.000 1.907 -6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.624 2.642 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.756 4.786 -4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.954 3.591 -5.069 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.085 5.760 -3.067 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.680 5.169 -3.290 1.00 0.00 H new ATOM 1300 N SER A 82 -8.318 1.717 -9.531 1.00 0.00 N ATOM 1301 CA SER A 82 -9.179 0.947 -10.450 1.00 0.00 C ATOM 1302 C SER A 82 -8.882 -0.545 -10.699 1.00 0.00 C ATOM 1303 O SER A 82 -9.275 -1.058 -11.751 1.00 0.00 O ATOM 1304 CB SER A 82 -9.244 1.708 -11.769 1.00 0.00 C ATOM 1305 OG SER A 82 -8.077 1.558 -12.554 1.00 0.00 O ATOM 0 H SER A 82 -7.357 1.376 -9.513 1.00 0.00 H new ATOM 0 HA SER A 82 -10.132 0.878 -9.925 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.106 1.361 -12.340 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.403 2.767 -11.563 1.00 0.00 H new ATOM 0 HG SER A 82 -8.176 2.065 -13.387 1.00 0.00 H new ATOM 1311 N MET A 83 -8.160 -1.224 -9.787 1.00 0.00 N ATOM 1312 CA MET A 83 -7.923 -2.697 -9.817 1.00 0.00 C ATOM 1313 C MET A 83 -9.021 -3.556 -10.509 1.00 0.00 C ATOM 1314 O MET A 83 -10.207 -3.241 -10.448 1.00 0.00 O ATOM 1315 CB MET A 83 -7.770 -3.216 -8.366 1.00 0.00 C ATOM 1316 CG MET A 83 -9.048 -3.325 -7.519 1.00 0.00 C ATOM 1317 SD MET A 83 -8.787 -4.206 -5.954 1.00 0.00 S ATOM 1318 CE MET A 83 -10.478 -4.213 -5.300 1.00 0.00 C ATOM 0 H MET A 83 -7.714 -0.766 -8.992 1.00 0.00 H new ATOM 0 HA MET A 83 -7.023 -2.815 -10.420 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.307 -4.202 -8.407 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.074 -2.559 -7.844 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.424 -2.324 -7.308 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.817 -3.839 -8.096 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.493 -4.721 -4.336 1.00 0.00 H new ATOM 0 HE2 MET A 83 -10.824 -3.187 -5.175 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.135 -4.736 -5.995 1.00 0.00 H new ATOM 1328 N ASP A 84 -8.653 -4.722 -11.060 1.00 0.00 N ATOM 1329 CA ASP A 84 -9.551 -5.572 -11.873 1.00 0.00 C ATOM 1330 C ASP A 84 -10.970 -5.907 -11.335 1.00 0.00 C ATOM 1331 O ASP A 84 -11.882 -6.081 -12.147 1.00 0.00 O ATOM 1332 CB ASP A 84 -8.800 -6.827 -12.342 1.00 0.00 C ATOM 1333 CG ASP A 84 -9.523 -7.544 -13.496 1.00 0.00 C ATOM 1334 OD1 ASP A 84 -9.570 -6.986 -14.619 1.00 0.00 O ATOM 1335 OD2 ASP A 84 -10.006 -8.686 -13.298 1.00 0.00 O ATOM 0 H ASP A 84 -7.715 -5.110 -10.956 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.810 -4.923 -12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.796 -6.548 -12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.687 -7.515 -11.504 1.00 0.00 H new ATOM 1340 N ASP A 85 -11.202 -5.947 -10.012 1.00 0.00 N ATOM 1341 CA ASP A 85 -12.542 -6.144 -9.414 1.00 0.00 C ATOM 1342 C ASP A 85 -13.028 -4.939 -8.567 1.00 0.00 C ATOM 1343 O ASP A 85 -13.915 -5.078 -7.723 1.00 0.00 O ATOM 1344 CB ASP A 85 -12.567 -7.481 -8.653 1.00 0.00 C ATOM 1345 CG ASP A 85 -13.989 -7.956 -8.292 1.00 0.00 C ATOM 1346 OD1 ASP A 85 -14.872 -7.983 -9.185 1.00 0.00 O ATOM 1347 OD2 ASP A 85 -14.215 -8.370 -7.129 1.00 0.00 O ATOM 0 H ASP A 85 -10.462 -5.843 -9.318 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.272 -6.196 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.080 -8.245 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.983 -7.380 -7.738 1.00 0.00 H new ATOM 1352 N GLY A 86 -12.428 -3.754 -8.755 1.00 0.00 N ATOM 1353 CA GLY A 86 -12.692 -2.544 -7.963 1.00 0.00 C ATOM 1354 C GLY A 86 -12.721 -1.203 -8.713 1.00 0.00 C ATOM 1355 O GLY A 86 -12.388 -1.076 -9.890 1.00 0.00 O ATOM 0 H GLY A 86 -11.727 -3.607 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.652 -2.671 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.932 -2.478 -7.184 1.00 0.00 H new ATOM 1359 N GLN A 87 -13.115 -0.179 -7.954 1.00 0.00 N ATOM 1360 CA GLN A 87 -13.168 1.257 -8.295 1.00 0.00 C ATOM 1361 C GLN A 87 -12.713 2.038 -7.049 1.00 0.00 C ATOM 1362 O GLN A 87 -13.426 2.887 -6.516 1.00 0.00 O ATOM 1363 CB GLN A 87 -14.603 1.608 -8.733 1.00 0.00 C ATOM 1364 CG GLN A 87 -15.675 1.181 -7.703 1.00 0.00 C ATOM 1365 CD GLN A 87 -16.706 2.282 -7.481 1.00 0.00 C ATOM 1366 OE1 GLN A 87 -17.858 2.205 -7.894 1.00 0.00 O ATOM 1367 NE2 GLN A 87 -16.315 3.361 -6.835 1.00 0.00 N ATOM 0 H GLN A 87 -13.435 -0.340 -6.999 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.510 1.517 -9.124 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.673 2.683 -8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.813 1.126 -9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -16.175 0.277 -8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.194 0.935 -6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.358 3.430 -6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.969 4.128 -6.680 1.00 0.00 H new ATOM 1376 N THR A 88 -11.519 1.707 -6.551 1.00 0.00 N ATOM 1377 CA THR A 88 -10.968 2.204 -5.277 1.00 0.00 C ATOM 1378 C THR A 88 -10.486 3.631 -5.087 1.00 0.00 C ATOM 1379 O THR A 88 -10.064 3.996 -3.997 1.00 0.00 O ATOM 1380 CB THR A 88 -10.129 1.113 -4.600 1.00 0.00 C ATOM 1381 OG1 THR A 88 -9.284 0.550 -5.579 1.00 0.00 O ATOM 1382 CG2 THR A 88 -11.045 -0.008 -4.105 1.00 0.00 C ATOM 0 H THR A 88 -10.887 1.068 -7.033 1.00 0.00 H new ATOM 0 HA THR A 88 -11.884 2.406 -4.722 1.00 0.00 H new ATOM 0 HB THR A 88 -9.570 1.543 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.616 -0.021 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.446 -0.782 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.759 0.396 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 88 -11.583 -0.438 -4.950 1.00 0.00 H new ATOM 1390 N ARG A 89 -10.639 4.414 -6.147 1.00 0.00 N ATOM 1391 CA ARG A 89 -10.427 5.875 -6.347 1.00 0.00 C ATOM 1392 C ARG A 89 -10.793 6.940 -5.270 1.00 0.00 C ATOM 1393 O ARG A 89 -11.060 8.093 -5.616 1.00 0.00 O ATOM 1394 CB ARG A 89 -11.072 6.252 -7.704 1.00 0.00 C ATOM 1395 CG ARG A 89 -12.615 6.244 -7.696 1.00 0.00 C ATOM 1396 CD ARG A 89 -13.129 6.644 -9.082 1.00 0.00 C ATOM 1397 NE ARG A 89 -14.582 6.900 -9.112 1.00 0.00 N ATOM 1398 CZ ARG A 89 -15.230 7.453 -10.126 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -14.670 7.644 -11.284 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -16.471 7.831 -10.010 1.00 0.00 N ATOM 0 H ARG A 89 -10.960 3.995 -7.020 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.342 5.949 -6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.727 7.244 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.720 5.557 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.984 5.253 -7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.990 6.936 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.602 7.539 -9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.891 5.853 -9.793 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.127 6.632 -8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.700 7.365 -11.434 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.200 8.073 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.962 7.703 -9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -16.951 8.255 -10.804 1.00 0.00 H new ATOM 1414 N PHE A 90 -10.758 6.614 -3.987 1.00 0.00 N ATOM 1415 CA PHE A 90 -10.961 7.511 -2.847 1.00 0.00 C ATOM 1416 C PHE A 90 -9.765 7.416 -1.876 1.00 0.00 C ATOM 1417 O PHE A 90 -8.966 6.478 -1.940 1.00 0.00 O ATOM 1418 CB PHE A 90 -12.315 7.206 -2.193 1.00 0.00 C ATOM 1419 CG PHE A 90 -13.488 7.492 -3.114 1.00 0.00 C ATOM 1420 CD1 PHE A 90 -13.962 8.811 -3.259 1.00 0.00 C ATOM 1421 CD2 PHE A 90 -14.071 6.454 -3.869 1.00 0.00 C ATOM 1422 CE1 PHE A 90 -15.013 9.089 -4.153 1.00 0.00 C ATOM 1423 CE2 PHE A 90 -15.122 6.734 -4.762 1.00 0.00 C ATOM 1424 CZ PHE A 90 -15.591 8.052 -4.905 1.00 0.00 C ATOM 0 H PHE A 90 -10.576 5.656 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.998 8.549 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.341 6.159 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -12.418 7.801 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -13.518 9.610 -2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -13.710 5.442 -3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -15.376 10.101 -4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -15.568 5.937 -5.338 1.00 0.00 H new ATOM 0 HZ PHE A 90 -16.395 8.267 -5.593 1.00 0.00 H new ATOM 1434 N THR A 91 -9.598 8.414 -0.995 1.00 0.00 N ATOM 1435 CA THR A 91 -8.437 8.508 -0.084 1.00 0.00 C ATOM 1436 C THR A 91 -8.392 7.307 0.870 1.00 0.00 C ATOM 1437 O THR A 91 -9.423 6.905 1.410 1.00 0.00 O ATOM 1438 CB THR A 91 -8.467 9.821 0.720 1.00 0.00 C ATOM 1439 OG1 THR A 91 -8.755 10.894 -0.143 1.00 0.00 O ATOM 1440 CG2 THR A 91 -7.128 10.150 1.383 1.00 0.00 C ATOM 0 H THR A 91 -10.262 9.181 -0.891 1.00 0.00 H new ATOM 0 HA THR A 91 -7.536 8.501 -0.697 1.00 0.00 H new ATOM 0 HB THR A 91 -9.225 9.684 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.776 11.729 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.215 11.086 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.856 9.349 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.358 10.249 0.618 1.00 0.00 H new ATOM 1448 N ASP A 92 -7.200 6.767 1.151 1.00 0.00 N ATOM 1449 CA ASP A 92 -7.027 5.548 1.956 1.00 0.00 C ATOM 1450 C ASP A 92 -7.612 5.689 3.367 1.00 0.00 C ATOM 1451 O ASP A 92 -8.207 4.749 3.889 1.00 0.00 O ATOM 1452 CB ASP A 92 -5.533 5.207 2.013 1.00 0.00 C ATOM 1453 CG ASP A 92 -5.270 3.915 2.805 1.00 0.00 C ATOM 1454 OD1 ASP A 92 -5.574 2.816 2.283 1.00 0.00 O ATOM 1455 OD2 ASP A 92 -4.735 4.002 3.936 1.00 0.00 O ATOM 0 H ASP A 92 -6.320 7.166 0.824 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.579 4.737 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.147 5.097 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.989 6.032 2.473 1.00 0.00 H new ATOM 1460 N LEU A 93 -7.539 6.896 3.942 1.00 0.00 N ATOM 1461 CA LEU A 93 -8.076 7.189 5.271 1.00 0.00 C ATOM 1462 C LEU A 93 -9.608 7.011 5.365 1.00 0.00 C ATOM 1463 O LEU A 93 -10.125 6.685 6.434 1.00 0.00 O ATOM 1464 CB LEU A 93 -7.625 8.608 5.672 1.00 0.00 C ATOM 1465 CG LEU A 93 -7.994 9.035 7.108 1.00 0.00 C ATOM 1466 CD1 LEU A 93 -7.393 8.113 8.170 1.00 0.00 C ATOM 1467 CD2 LEU A 93 -7.481 10.453 7.363 1.00 0.00 C ATOM 0 H LEU A 93 -7.102 7.700 3.492 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.677 6.462 5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.543 8.674 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.063 9.322 4.974 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.080 8.982 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.685 8.461 9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.759 7.097 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.306 8.123 8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.741 10.757 8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.398 10.475 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.939 11.139 6.650 1.00 0.00 H new ATOM 1479 N LEU A 94 -10.338 7.179 4.251 1.00 0.00 N ATOM 1480 CA LEU A 94 -11.793 6.971 4.192 1.00 0.00 C ATOM 1481 C LEU A 94 -12.150 5.474 4.209 1.00 0.00 C ATOM 1482 O LEU A 94 -13.137 5.079 4.831 1.00 0.00 O ATOM 1483 CB LEU A 94 -12.372 7.662 2.941 1.00 0.00 C ATOM 1484 CG LEU A 94 -12.115 9.180 2.850 1.00 0.00 C ATOM 1485 CD1 LEU A 94 -12.648 9.718 1.522 1.00 0.00 C ATOM 1486 CD2 LEU A 94 -12.784 9.955 3.986 1.00 0.00 C ATOM 0 H LEU A 94 -9.932 7.465 3.360 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.239 7.419 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.952 7.185 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.448 7.490 2.916 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.037 9.322 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.464 10.791 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.141 9.217 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.720 9.530 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -12.572 11.018 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.861 9.794 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.396 9.606 4.943 1.00 0.00 H new ATOM 1498 N GLN A 95 -11.325 4.635 3.571 1.00 0.00 N ATOM 1499 CA GLN A 95 -11.454 3.182 3.583 1.00 0.00 C ATOM 1500 C GLN A 95 -10.985 2.588 4.919 1.00 0.00 C ATOM 1501 O GLN A 95 -11.630 1.677 5.429 1.00 0.00 O ATOM 1502 CB GLN A 95 -10.647 2.624 2.398 1.00 0.00 C ATOM 1503 CG GLN A 95 -11.516 2.302 1.173 1.00 0.00 C ATOM 1504 CD GLN A 95 -12.177 3.543 0.576 1.00 0.00 C ATOM 1505 OE1 GLN A 95 -11.554 4.343 -0.106 1.00 0.00 O ATOM 1506 NE2 GLN A 95 -13.456 3.765 0.811 1.00 0.00 N ATOM 0 H GLN A 95 -10.531 4.961 3.020 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.502 2.901 3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.883 3.348 2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.127 1.720 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.901 1.822 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.287 1.586 1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.992 3.108 1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.909 4.594 0.426 1.00 0.00 H new ATOM 1515 N LEU A 96 -9.919 3.130 5.522 1.00 0.00 N ATOM 1516 CA LEU A 96 -9.294 2.652 6.765 1.00 0.00 C ATOM 1517 C LEU A 96 -10.300 2.463 7.912 1.00 0.00 C ATOM 1518 O LEU A 96 -10.250 1.443 8.598 1.00 0.00 O ATOM 1519 CB LEU A 96 -8.160 3.636 7.122 1.00 0.00 C ATOM 1520 CG LEU A 96 -7.268 3.253 8.322 1.00 0.00 C ATOM 1521 CD1 LEU A 96 -5.912 3.952 8.189 1.00 0.00 C ATOM 1522 CD2 LEU A 96 -7.846 3.683 9.676 1.00 0.00 C ATOM 0 H LEU A 96 -9.447 3.950 5.141 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.885 1.654 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.522 3.753 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.605 4.610 7.325 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.192 2.166 8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.280 3.683 9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.431 3.639 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.059 5.032 8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.167 3.382 10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.967 4.766 9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.815 3.207 9.825 1.00 0.00 H new ATOM 1534 N VAL A 97 -11.242 3.396 8.092 1.00 0.00 N ATOM 1535 CA VAL A 97 -12.262 3.334 9.162 1.00 0.00 C ATOM 1536 C VAL A 97 -13.141 2.079 9.034 1.00 0.00 C ATOM 1537 O VAL A 97 -13.386 1.392 10.026 1.00 0.00 O ATOM 1538 CB VAL A 97 -13.116 4.622 9.167 1.00 0.00 C ATOM 1539 CG1 VAL A 97 -14.221 4.590 10.231 1.00 0.00 C ATOM 1540 CG2 VAL A 97 -12.246 5.854 9.453 1.00 0.00 C ATOM 0 H VAL A 97 -11.324 4.222 7.500 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.744 3.264 10.119 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.567 4.680 8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -14.791 5.518 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -14.886 3.748 10.040 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -13.772 4.481 11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -12.870 6.748 9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.770 5.745 10.428 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.480 5.945 8.683 1.00 0.00 H new ATOM 1550 N GLU A 98 -13.557 1.728 7.817 1.00 0.00 N ATOM 1551 CA GLU A 98 -14.336 0.518 7.506 1.00 0.00 C ATOM 1552 C GLU A 98 -13.465 -0.751 7.408 1.00 0.00 C ATOM 1553 O GLU A 98 -13.915 -1.848 7.728 1.00 0.00 O ATOM 1554 CB GLU A 98 -15.097 0.797 6.201 1.00 0.00 C ATOM 1555 CG GLU A 98 -15.776 -0.428 5.580 1.00 0.00 C ATOM 1556 CD GLU A 98 -16.784 -1.132 6.517 1.00 0.00 C ATOM 1557 OE1 GLU A 98 -17.472 -0.456 7.317 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -16.904 -2.379 6.425 1.00 0.00 O ATOM 0 H GLU A 98 -13.357 2.292 6.991 1.00 0.00 H new ATOM 0 HA GLU A 98 -15.030 0.308 8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -15.855 1.556 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.402 1.217 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -16.294 -0.122 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -15.009 -1.144 5.284 1.00 0.00 H new ATOM 1565 N PHE A 99 -12.224 -0.622 6.944 1.00 0.00 N ATOM 1566 CA PHE A 99 -11.260 -1.716 6.785 1.00 0.00 C ATOM 1567 C PHE A 99 -10.535 -2.136 8.079 1.00 0.00 C ATOM 1568 O PHE A 99 -9.924 -3.203 8.085 1.00 0.00 O ATOM 1569 CB PHE A 99 -10.251 -1.339 5.683 1.00 0.00 C ATOM 1570 CG PHE A 99 -10.727 -1.357 4.232 1.00 0.00 C ATOM 1571 CD1 PHE A 99 -12.076 -1.572 3.869 1.00 0.00 C ATOM 1572 CD2 PHE A 99 -9.770 -1.170 3.216 1.00 0.00 C ATOM 1573 CE1 PHE A 99 -12.454 -1.588 2.514 1.00 0.00 C ATOM 1574 CE2 PHE A 99 -10.147 -1.199 1.862 1.00 0.00 C ATOM 1575 CZ PHE A 99 -11.489 -1.406 1.510 1.00 0.00 C ATOM 0 H PHE A 99 -11.845 0.280 6.657 1.00 0.00 H new ATOM 0 HA PHE A 99 -11.834 -2.597 6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.880 -0.337 5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.401 -2.017 5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -12.821 -1.725 4.636 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.736 -1.003 3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -13.489 -1.741 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.402 -1.062 1.092 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.779 -1.425 0.470 1.00 0.00 H new ATOM 1585 N HIS A 100 -10.589 -1.370 9.179 1.00 0.00 N ATOM 1586 CA HIS A 100 -9.809 -1.688 10.395 1.00 0.00 C ATOM 1587 C HIS A 100 -10.119 -3.078 10.986 1.00 0.00 C ATOM 1588 O HIS A 100 -9.197 -3.798 11.375 1.00 0.00 O ATOM 1589 CB HIS A 100 -9.919 -0.557 11.444 1.00 0.00 C ATOM 1590 CG HIS A 100 -11.104 -0.636 12.380 1.00 0.00 C ATOM 1591 ND1 HIS A 100 -12.374 -0.130 12.162 1.00 0.00 N ATOM 1592 CD2 HIS A 100 -11.098 -1.215 13.621 1.00 0.00 C ATOM 1593 CE1 HIS A 100 -13.129 -0.406 13.247 1.00 0.00 C ATOM 1594 NE2 HIS A 100 -12.371 -1.066 14.146 1.00 0.00 N ATOM 0 H HIS A 100 -11.160 -0.529 9.256 1.00 0.00 H new ATOM 0 HA HIS A 100 -8.766 -1.746 10.083 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -9.008 -0.553 12.042 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -9.959 0.397 10.918 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -12.685 0.365 11.327 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -10.259 -1.697 14.100 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -14.168 -0.142 13.374 1.00 0.00 H new ATOM 1603 N GLN A 101 -11.399 -3.458 11.042 1.00 0.00 N ATOM 1604 CA GLN A 101 -11.860 -4.786 11.474 1.00 0.00 C ATOM 1605 C GLN A 101 -11.790 -5.851 10.358 1.00 0.00 C ATOM 1606 O GLN A 101 -11.416 -6.994 10.627 1.00 0.00 O ATOM 1607 CB GLN A 101 -13.235 -4.696 12.178 1.00 0.00 C ATOM 1608 CG GLN A 101 -14.507 -4.560 11.313 1.00 0.00 C ATOM 1609 CD GLN A 101 -14.652 -3.249 10.538 1.00 0.00 C ATOM 1610 OE1 GLN A 101 -13.911 -2.292 10.708 1.00 0.00 O ATOM 1611 NE2 GLN A 101 -15.593 -3.156 9.629 1.00 0.00 N ATOM 0 H GLN A 101 -12.165 -2.836 10.782 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.154 -5.148 12.222 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.349 -5.588 12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.204 -3.842 12.855 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -14.528 -5.385 10.601 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -15.377 -4.675 11.960 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -16.225 -3.940 9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -15.693 -2.300 9.084 1.00 0.00 H new ATOM 1620 N LEU A 102 -12.144 -5.481 9.116 1.00 0.00 N ATOM 1621 CA LEU A 102 -12.226 -6.373 7.946 1.00 0.00 C ATOM 1622 C LEU A 102 -11.813 -5.650 6.652 1.00 0.00 C ATOM 1623 O LEU A 102 -12.646 -5.143 5.896 1.00 0.00 O ATOM 1624 CB LEU A 102 -13.660 -6.943 7.823 1.00 0.00 C ATOM 1625 CG LEU A 102 -14.068 -8.008 8.860 1.00 0.00 C ATOM 1626 CD1 LEU A 102 -15.545 -8.359 8.672 1.00 0.00 C ATOM 1627 CD2 LEU A 102 -13.260 -9.300 8.720 1.00 0.00 C ATOM 0 H LEU A 102 -12.390 -4.517 8.890 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.526 -7.195 8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.364 -6.113 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.771 -7.375 6.828 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.876 -7.583 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -15.836 -9.112 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.152 -7.464 8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -15.701 -8.751 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.586 -10.017 9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.416 -9.721 7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.201 -9.084 8.860 1.00 0.00 H new ATOM 1639 N ASN A 103 -10.510 -5.585 6.390 1.00 0.00 N ATOM 1640 CA ASN A 103 -9.964 -5.040 5.145 1.00 0.00 C ATOM 1641 C ASN A 103 -10.270 -6.004 3.991 1.00 0.00 C ATOM 1642 O ASN A 103 -10.049 -7.201 4.128 1.00 0.00 O ATOM 1643 CB ASN A 103 -8.458 -4.822 5.346 1.00 0.00 C ATOM 1644 CG ASN A 103 -7.737 -4.172 4.176 1.00 0.00 C ATOM 1645 OD1 ASN A 103 -8.206 -4.118 3.052 1.00 0.00 O ATOM 1646 ND2 ASN A 103 -6.557 -3.658 4.410 1.00 0.00 N ATOM 0 H ASN A 103 -9.795 -5.911 7.040 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.420 -4.083 4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.312 -4.203 6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.991 -5.786 5.550 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.035 -3.215 3.654 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.159 -3.700 5.348 1.00 0.00 H new ATOM 1653 N ARG A 104 -10.756 -5.512 2.844 1.00 0.00 N ATOM 1654 CA ARG A 104 -11.147 -6.350 1.689 1.00 0.00 C ATOM 1655 C ARG A 104 -9.948 -6.947 0.914 1.00 0.00 C ATOM 1656 O ARG A 104 -10.159 -7.739 -0.006 1.00 0.00 O ATOM 1657 CB ARG A 104 -12.082 -5.533 0.772 1.00 0.00 C ATOM 1658 CG ARG A 104 -13.557 -5.504 1.223 1.00 0.00 C ATOM 1659 CD ARG A 104 -13.797 -5.067 2.676 1.00 0.00 C ATOM 1660 NE ARG A 104 -15.219 -4.758 2.917 1.00 0.00 N ATOM 1661 CZ ARG A 104 -15.723 -4.173 3.988 1.00 0.00 C ATOM 1662 NH1 ARG A 104 -15.038 -3.932 5.064 1.00 0.00 N ATOM 1663 NH2 ARG A 104 -16.959 -3.783 4.031 1.00 0.00 N ATOM 0 H ARG A 104 -10.892 -4.514 2.684 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.678 -7.220 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.712 -4.509 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.032 -5.945 -0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -14.107 -4.832 0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -13.980 -6.499 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.475 -5.858 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.190 -4.190 2.899 1.00 0.00 H new ATOM 0 HE ARG A 104 -15.878 -5.022 2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.055 -4.198 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.483 -3.476 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -17.567 -3.926 3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.323 -3.334 4.871 1.00 0.00 H new ATOM 1677 N GLY A 105 -8.719 -6.601 1.306 1.00 0.00 N ATOM 1678 CA GLY A 105 -7.451 -6.987 0.665 1.00 0.00 C ATOM 1679 C GLY A 105 -7.397 -6.750 -0.856 1.00 0.00 C ATOM 1680 O GLY A 105 -8.124 -5.908 -1.399 1.00 0.00 O ATOM 0 H GLY A 105 -8.569 -6.011 2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.639 -6.431 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.268 -8.044 0.860 1.00 0.00 H new ATOM 1684 N ILE A 106 -6.505 -7.471 -1.542 1.00 0.00 N ATOM 1685 CA ILE A 106 -6.405 -7.456 -3.026 1.00 0.00 C ATOM 1686 C ILE A 106 -7.463 -8.371 -3.694 1.00 0.00 C ATOM 1687 O ILE A 106 -8.331 -8.928 -3.014 1.00 0.00 O ATOM 1688 CB ILE A 106 -4.957 -7.802 -3.472 1.00 0.00 C ATOM 1689 CG1 ILE A 106 -4.570 -7.396 -4.922 1.00 0.00 C ATOM 1690 CG2 ILE A 106 -4.649 -9.304 -3.329 1.00 0.00 C ATOM 1691 CD1 ILE A 106 -4.934 -5.959 -5.307 1.00 0.00 C ATOM 0 H ILE A 106 -5.826 -8.086 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.628 -6.446 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.361 -7.195 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.495 -7.529 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.059 -8.078 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.626 -9.498 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.762 -9.601 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.340 -9.878 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.625 -5.768 -6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.012 -5.821 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.424 -5.263 -4.640 1.00 0.00 H new ATOM 1703 N LEU A 107 -7.416 -8.505 -5.034 1.00 0.00 N ATOM 1704 CA LEU A 107 -8.245 -9.427 -5.831 1.00 0.00 C ATOM 1705 C LEU A 107 -8.354 -10.819 -5.134 1.00 0.00 C ATOM 1706 O LEU A 107 -7.334 -11.319 -4.647 1.00 0.00 O ATOM 1707 CB LEU A 107 -7.572 -9.608 -7.210 1.00 0.00 C ATOM 1708 CG LEU A 107 -7.884 -8.521 -8.259 1.00 0.00 C ATOM 1709 CD1 LEU A 107 -6.839 -8.569 -9.373 1.00 0.00 C ATOM 1710 CD2 LEU A 107 -9.267 -8.766 -8.848 1.00 0.00 C ATOM 0 H LEU A 107 -6.778 -7.955 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.248 -9.013 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.492 -9.646 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.873 -10.574 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.860 -7.541 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.061 -7.800 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.849 -8.392 -8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.860 -9.549 -9.850 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.488 -7.998 -9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.292 -9.747 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.013 -8.729 -8.054 1.00 0.00 H new ATOM 1722 N PRO A 108 -9.542 -11.460 -5.057 1.00 0.00 N ATOM 1723 CA PRO A 108 -10.040 -12.017 -3.783 1.00 0.00 C ATOM 1724 C PRO A 108 -9.486 -13.384 -3.309 1.00 0.00 C ATOM 1725 O PRO A 108 -10.248 -14.290 -2.961 1.00 0.00 O ATOM 1726 CB PRO A 108 -11.579 -11.982 -3.883 1.00 0.00 C ATOM 1727 CG PRO A 108 -11.849 -10.922 -4.945 1.00 0.00 C ATOM 1728 CD PRO A 108 -10.700 -11.196 -5.906 1.00 0.00 C ATOM 0 HA PRO A 108 -9.648 -11.393 -2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.983 -12.952 -4.173 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -12.036 -11.719 -2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.823 -11.047 -5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.818 -9.911 -4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.919 -12.049 -6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -10.522 -10.342 -6.560 1.00 0.00 H new ATOM 1736 N CYS A 109 -8.161 -13.553 -3.257 1.00 0.00 N ATOM 1737 CA CYS A 109 -7.471 -14.723 -2.743 1.00 0.00 C ATOM 1738 C CYS A 109 -7.648 -14.849 -1.211 1.00 0.00 C ATOM 1739 O CYS A 109 -8.146 -15.860 -0.715 1.00 0.00 O ATOM 1740 CB CYS A 109 -6.004 -14.547 -3.158 1.00 0.00 C ATOM 1741 SG CYS A 109 -5.827 -14.435 -4.970 1.00 0.00 S ATOM 0 H CYS A 109 -7.515 -12.837 -3.591 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.876 -15.651 -3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.600 -13.646 -2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.417 -15.387 -2.786 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.348 -13.320 -5.389 1.00 0.00 H new ATOM 1747 N LEU A 110 -7.270 -13.789 -0.487 1.00 0.00 N ATOM 1748 CA LEU A 110 -7.411 -13.546 0.955 1.00 0.00 C ATOM 1749 C LEU A 110 -7.816 -12.062 1.162 1.00 0.00 C ATOM 1750 O LEU A 110 -8.021 -11.347 0.172 1.00 0.00 O ATOM 1751 CB LEU A 110 -6.079 -13.915 1.649 1.00 0.00 C ATOM 1752 CG LEU A 110 -6.141 -15.047 2.680 1.00 0.00 C ATOM 1753 CD1 LEU A 110 -6.947 -14.658 3.923 1.00 0.00 C ATOM 1754 CD2 LEU A 110 -6.670 -16.371 2.133 1.00 0.00 C ATOM 0 H LEU A 110 -6.811 -13.000 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.190 -14.164 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.358 -14.192 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.692 -13.024 2.143 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.098 -15.205 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.962 -15.493 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.486 -13.793 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.968 -14.411 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.680 -17.116 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.683 -16.230 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.025 -16.714 1.324 1.00 0.00 H new ATOM 1766 N LEU A 111 -7.995 -11.600 2.412 1.00 0.00 N ATOM 1767 CA LEU A 111 -8.490 -10.232 2.671 1.00 0.00 C ATOM 1768 C LEU A 111 -7.833 -9.435 3.825 1.00 0.00 C ATOM 1769 O LEU A 111 -7.363 -8.318 3.591 1.00 0.00 O ATOM 1770 CB LEU A 111 -10.040 -10.225 2.635 1.00 0.00 C ATOM 1771 CG LEU A 111 -10.916 -10.850 3.745 1.00 0.00 C ATOM 1772 CD1 LEU A 111 -10.422 -12.189 4.300 1.00 0.00 C ATOM 1773 CD2 LEU A 111 -11.181 -9.879 4.892 1.00 0.00 C ATOM 0 H LEU A 111 -7.807 -12.146 3.253 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.127 -9.619 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.342 -9.181 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.329 -10.712 1.704 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.851 -11.067 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -11.108 -12.538 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.377 -12.922 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.428 -12.061 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.800 -10.366 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.234 -9.578 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.698 -8.998 4.511 1.00 0.00 H new ATOM 1785 N ARG A 112 -7.732 -9.975 5.052 1.00 0.00 N ATOM 1786 CA ARG A 112 -7.223 -9.219 6.221 1.00 0.00 C ATOM 1787 C ARG A 112 -5.721 -8.887 6.126 1.00 0.00 C ATOM 1788 O ARG A 112 -4.932 -9.708 5.656 1.00 0.00 O ATOM 1789 CB ARG A 112 -7.592 -9.929 7.539 1.00 0.00 C ATOM 1790 CG ARG A 112 -6.869 -11.271 7.770 1.00 0.00 C ATOM 1791 CD ARG A 112 -7.347 -11.971 9.050 1.00 0.00 C ATOM 1792 NE ARG A 112 -6.974 -11.222 10.271 1.00 0.00 N ATOM 1793 CZ ARG A 112 -7.364 -11.489 11.505 1.00 0.00 C ATOM 1794 NH1 ARG A 112 -8.151 -12.491 11.783 1.00 0.00 N ATOM 1795 NH2 ARG A 112 -6.966 -10.744 12.499 1.00 0.00 N ATOM 0 H ARG A 112 -7.996 -10.937 5.265 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.725 -8.252 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.366 -9.262 8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -8.668 -10.104 7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.038 -11.925 6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.795 -11.098 7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -8.430 -12.088 9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -6.919 -12.972 9.096 1.00 0.00 H new ATOM 0 HE ARG A 112 -6.355 -10.421 10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -8.486 -13.099 11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -8.431 -12.667 12.748 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -6.350 -9.950 12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -7.271 -10.956 13.449 1.00 0.00 H new ATOM 1809 N HIS A 113 -5.323 -7.710 6.622 1.00 0.00 N ATOM 1810 CA HIS A 113 -3.922 -7.258 6.720 1.00 0.00 C ATOM 1811 C HIS A 113 -3.371 -7.246 8.146 1.00 0.00 C ATOM 1812 O HIS A 113 -4.093 -7.335 9.144 1.00 0.00 O ATOM 1813 CB HIS A 113 -3.714 -5.876 6.089 1.00 0.00 C ATOM 1814 CG HIS A 113 -4.508 -4.744 6.705 1.00 0.00 C ATOM 1815 ND1 HIS A 113 -5.822 -4.812 7.180 1.00 0.00 N ATOM 1816 CD2 HIS A 113 -4.017 -3.501 6.978 1.00 0.00 C ATOM 1817 CE1 HIS A 113 -6.079 -3.624 7.751 1.00 0.00 C ATOM 1818 NE2 HIS A 113 -5.019 -2.809 7.624 1.00 0.00 N ATOM 0 H HIS A 113 -5.985 -7.021 6.979 1.00 0.00 H new ATOM 0 HA HIS A 113 -3.361 -8.004 6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -2.655 -5.626 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.968 -5.939 5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -3.032 -3.130 6.735 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -7.005 -3.362 8.242 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -4.965 -1.844 7.950 1.00 0.00 H new ATOM 1826 N CYS A 114 -2.048 -7.132 8.193 1.00 0.00 N ATOM 1827 CA CYS A 114 -1.187 -7.153 9.367 1.00 0.00 C ATOM 1828 C CYS A 114 -0.051 -6.103 9.206 1.00 0.00 C ATOM 1829 O CYS A 114 -0.174 -5.159 8.421 1.00 0.00 O ATOM 1830 CB CYS A 114 -0.645 -8.589 9.437 1.00 0.00 C ATOM 1831 SG CYS A 114 -1.943 -9.858 9.597 1.00 0.00 S ATOM 0 H CYS A 114 -1.506 -7.012 7.337 1.00 0.00 H new ATOM 0 HA CYS A 114 -1.710 -6.892 10.287 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -0.061 -8.791 8.539 1.00 0.00 H new ATOM 0 HB3 CYS A 114 0.035 -8.670 10.285 1.00 0.00 H new ATOM 0 HG CYS A 114 -1.395 -11.036 9.646 1.00 0.00 H new ATOM 1837 N CYS A 115 1.069 -6.281 9.919 1.00 0.00 N ATOM 1838 CA CYS A 115 2.286 -5.451 9.806 1.00 0.00 C ATOM 1839 C CYS A 115 3.433 -6.286 9.201 1.00 0.00 C ATOM 1840 O CYS A 115 3.660 -7.420 9.628 1.00 0.00 O ATOM 1841 CB CYS A 115 2.660 -4.866 11.176 1.00 0.00 C ATOM 1842 SG CYS A 115 1.362 -3.734 11.759 1.00 0.00 S ATOM 0 H CYS A 115 1.161 -7.025 10.610 1.00 0.00 H new ATOM 0 HA CYS A 115 2.096 -4.612 9.137 1.00 0.00 H new ATOM 0 HB2 CYS A 115 2.799 -5.672 11.897 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.609 -4.335 11.105 1.00 0.00 H new ATOM 0 HG CYS A 115 1.696 -3.252 12.919 1.00 0.00 H new ATOM 1848 N THR A 116 4.166 -5.731 8.226 1.00 0.00 N ATOM 1849 CA THR A 116 5.216 -6.446 7.464 1.00 0.00 C ATOM 1850 C THR A 116 6.655 -6.005 7.762 1.00 0.00 C ATOM 1851 O THR A 116 6.879 -4.991 8.430 1.00 0.00 O ATOM 1852 CB THR A 116 4.877 -6.365 5.967 1.00 0.00 C ATOM 1853 OG1 THR A 116 5.417 -7.469 5.287 1.00 0.00 O ATOM 1854 CG2 THR A 116 5.341 -5.092 5.260 1.00 0.00 C ATOM 0 H THR A 116 4.050 -4.760 7.936 1.00 0.00 H new ATOM 0 HA THR A 116 5.205 -7.483 7.799 1.00 0.00 H new ATOM 0 HB THR A 116 3.788 -6.358 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.803 -7.748 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 116 5.053 -5.134 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.876 -4.225 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.425 -5.008 5.336 1.00 0.00 H new ATOM 1862 N ARG A 117 7.644 -6.756 7.254 1.00 0.00 N ATOM 1863 CA ARG A 117 9.080 -6.442 7.368 1.00 0.00 C ATOM 1864 C ARG A 117 9.525 -5.520 6.224 1.00 0.00 C ATOM 1865 O ARG A 117 9.337 -5.848 5.051 1.00 0.00 O ATOM 1866 CB ARG A 117 9.880 -7.758 7.409 1.00 0.00 C ATOM 1867 CG ARG A 117 11.370 -7.528 7.723 1.00 0.00 C ATOM 1868 CD ARG A 117 12.183 -8.830 7.695 1.00 0.00 C ATOM 1869 NE ARG A 117 11.805 -9.750 8.791 1.00 0.00 N ATOM 1870 CZ ARG A 117 12.256 -10.977 8.978 1.00 0.00 C ATOM 1871 NH1 ARG A 117 13.127 -11.525 8.174 1.00 0.00 N ATOM 1872 NH2 ARG A 117 11.837 -11.689 9.985 1.00 0.00 N ATOM 0 H ARG A 117 7.465 -7.619 6.740 1.00 0.00 H new ATOM 0 HA ARG A 117 9.272 -5.899 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.450 -8.418 8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.788 -8.267 6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 117 11.787 -6.827 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 117 11.464 -7.065 8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 117 12.034 -9.328 6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 117 13.245 -8.595 7.770 1.00 0.00 H new ATOM 0 HE ARG A 117 11.128 -9.401 9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 117 13.480 -11.003 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.454 -12.475 8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.155 -11.300 10.636 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.190 -12.636 10.122 1.00 0.00 H new ATOM 1966 N PRO B1137 5.534 -8.704 -12.602 1.00 0.00 N ATOM 1967 CA PRO B1137 4.422 -7.835 -12.216 1.00 0.00 C ATOM 1968 C PRO B1137 4.907 -6.423 -11.841 1.00 0.00 C ATOM 1969 O PRO B1137 6.063 -6.225 -11.460 1.00 0.00 O ATOM 1970 CB PRO B1137 3.748 -8.548 -11.040 1.00 0.00 C ATOM 1971 CG PRO B1137 4.908 -9.278 -10.366 1.00 0.00 C ATOM 1972 CD PRO B1137 5.814 -9.663 -11.537 1.00 0.00 C ATOM 0 HA PRO B1137 3.724 -7.679 -13.038 1.00 0.00 H new ATOM 0 HB2 PRO B1137 3.268 -7.842 -10.362 1.00 0.00 H new ATOM 0 HB3 PRO B1137 2.977 -9.241 -11.377 1.00 0.00 H new ATOM 0 HG2 PRO B1137 5.425 -8.637 -9.652 1.00 0.00 H new ATOM 0 HG3 PRO B1137 4.566 -10.156 -9.817 1.00 0.00 H new ATOM 0 HD2 PRO B1137 6.864 -9.625 -11.246 1.00 0.00 H new ATOM 0 HD3 PRO B1137 5.611 -10.682 -11.867 1.00 0.00 H new ATOM 1980 N GLU B1138 4.002 -5.446 -11.902 1.00 0.00 N ATOM 1981 CA GLU B1138 4.239 -4.042 -11.524 1.00 0.00 C ATOM 1982 C GLU B1138 3.082 -3.540 -10.635 1.00 0.00 C ATOM 1983 O GLU B1138 2.910 -3.999 -9.505 1.00 0.00 O ATOM 1984 CB GLU B1138 4.504 -3.192 -12.800 1.00 0.00 C ATOM 1985 CG GLU B1138 5.989 -3.132 -13.148 1.00 0.00 C ATOM 1986 CD GLU B1138 6.260 -2.386 -14.465 1.00 0.00 C ATOM 1987 OE1 GLU B1138 6.142 -2.996 -15.556 1.00 0.00 O ATOM 1988 OE2 GLU B1138 6.651 -1.196 -14.391 1.00 0.00 O ATOM 0 H GLU B1138 3.049 -5.610 -12.226 1.00 0.00 H new ATOM 0 HA GLU B1138 5.138 -3.943 -10.916 1.00 0.00 H new ATOM 0 HB2 GLU B1138 3.952 -3.615 -13.639 1.00 0.00 H new ATOM 0 HB3 GLU B1138 4.126 -2.181 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU B1138 6.528 -2.640 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU B1138 6.382 -4.146 -13.222 1.00 0.00 H new ATOM 2019 N VAL B1140 -1.350 -2.067 -10.397 1.00 0.00 N ATOM 2020 CA VAL B1140 -2.717 -2.701 -10.429 1.00 0.00 C ATOM 2021 C VAL B1140 -3.852 -1.913 -10.990 1.00 0.00 C ATOM 2022 O VAL B1140 -4.798 -2.539 -11.476 1.00 0.00 O ATOM 2023 CB VAL B1140 -3.163 -3.255 -9.035 1.00 0.00 C ATOM 2024 CG1 VAL B1140 -4.645 -3.411 -8.719 1.00 0.00 C ATOM 2025 CG2 VAL B1140 -2.549 -4.637 -8.800 1.00 0.00 C ATOM 0 HA VAL B1140 -2.530 -3.499 -11.148 1.00 0.00 H new ATOM 0 HB VAL B1140 -2.811 -2.455 -8.384 1.00 0.00 H new ATOM 0 HG11 VAL B1140 -4.762 -3.807 -7.710 1.00 0.00 H new ATOM 0 HG12 VAL B1140 -5.136 -2.440 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL B1140 -5.099 -4.097 -9.434 1.00 0.00 H new ATOM 0 HG21 VAL B1140 -2.865 -5.015 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL B1140 -2.882 -5.321 -9.581 1.00 0.00 H new ATOM 0 HG23 VAL B1140 -1.462 -4.561 -8.824 1.00 0.00 H new ATOM 2035 N ASN B1141 -3.813 -0.579 -10.969 1.00 0.00 N ATOM 2036 CA ASN B1141 -4.873 0.120 -11.728 1.00 0.00 C ATOM 2037 C ASN B1141 -4.606 -0.370 -13.197 1.00 0.00 C ATOM 2038 O ASN B1141 -5.524 -0.606 -13.977 1.00 0.00 O ATOM 2039 CB ASN B1141 -4.955 1.587 -11.293 1.00 0.00 C ATOM 2040 CG ASN B1141 -4.827 1.625 -9.782 1.00 0.00 C ATOM 2041 OD1 ASN B1141 -5.682 1.158 -9.057 1.00 0.00 O ATOM 2042 ND2 ASN B1141 -3.665 1.938 -9.271 1.00 0.00 N ATOM 0 H ASN B1141 -3.130 0.004 -10.485 1.00 0.00 H new ATOM 0 HA ASN B1141 -5.926 -0.099 -11.554 1.00 0.00 H new ATOM 0 HB2 ASN B1141 -4.161 2.170 -11.759 1.00 0.00 H new ATOM 0 HB3 ASN B1141 -5.901 2.028 -11.608 1.00 0.00 H new ATOM 0 HD21 ASN B1141 -3.488 1.789 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN B1141 -2.936 2.331 -9.866 1.00 0.00 H new ATOM 2049 N GLN B1142 -3.319 -0.735 -13.420 1.00 0.00 N ATOM 2050 CA GLN B1142 -2.634 -1.416 -14.466 1.00 0.00 C ATOM 2051 C GLN B1142 -1.388 -2.005 -13.811 1.00 0.00 C ATOM 2052 O GLN B1142 -0.868 -1.321 -12.933 1.00 0.00 O ATOM 2053 CB GLN B1142 -2.028 -0.413 -15.444 1.00 0.00 C ATOM 2054 CG GLN B1142 -2.870 0.234 -16.565 1.00 0.00 C ATOM 2055 CD GLN B1142 -4.093 1.060 -16.154 1.00 0.00 C ATOM 2056 OE1 GLN B1142 -5.219 0.758 -16.530 1.00 0.00 O ATOM 2057 NE2 GLN B1142 -3.953 2.162 -15.436 1.00 0.00 N ATOM 0 H GLN B1142 -2.636 -0.490 -12.703 1.00 0.00 H new ATOM 0 HA GLN B1142 -3.316 -2.113 -14.953 1.00 0.00 H new ATOM 0 HB2 GLN B1142 -1.616 0.401 -14.848 1.00 0.00 H new ATOM 0 HB3 GLN B1142 -1.187 -0.911 -15.927 1.00 0.00 H new ATOM 0 HG2 GLN B1142 -2.212 0.878 -17.149 1.00 0.00 H new ATOM 0 HG3 GLN B1142 -3.210 -0.560 -17.229 1.00 0.00 H new ATOM 0 HE21 GLN B1142 -3.029 2.442 -15.107 1.00 0.00 H new ATOM 0 HE22 GLN B1142 -4.769 2.731 -15.211 1.00 0.00 H new ATOM 2066 N PRO B1143 -0.773 -3.095 -14.306 1.00 0.00 N ATOM 2067 CA PRO B1143 0.665 -3.310 -14.124 1.00 0.00 C ATOM 2068 C PRO B1143 1.450 -2.309 -15.017 1.00 0.00 C ATOM 2069 O PRO B1143 2.219 -2.664 -15.911 1.00 0.00 O ATOM 2070 CB PRO B1143 0.871 -4.787 -14.472 1.00 0.00 C ATOM 2071 CG PRO B1143 -0.152 -5.002 -15.593 1.00 0.00 C ATOM 2072 CD PRO B1143 -1.325 -4.096 -15.205 1.00 0.00 C ATOM 0 HA PRO B1143 1.037 -3.121 -13.117 1.00 0.00 H new ATOM 0 HB2 PRO B1143 1.889 -4.988 -14.806 1.00 0.00 H new ATOM 0 HB3 PRO B1143 0.681 -5.437 -13.618 1.00 0.00 H new ATOM 0 HG2 PRO B1143 0.258 -4.729 -16.565 1.00 0.00 H new ATOM 0 HG3 PRO B1143 -0.459 -6.046 -15.658 1.00 0.00 H new ATOM 0 HD2 PRO B1143 -1.767 -3.629 -16.086 1.00 0.00 H new ATOM 0 HD3 PRO B1143 -2.115 -4.667 -14.717 1.00 0.00 H new ATOM 2080 N ASP B1144 1.157 -1.038 -14.738 1.00 0.00 N ATOM 2081 CA ASP B1144 1.497 0.245 -15.337 1.00 0.00 C ATOM 2082 C ASP B1144 1.633 0.259 -16.885 1.00 0.00 C ATOM 2083 O ASP B1144 0.587 0.362 -17.569 1.00 0.00 O ATOM 2084 CB ASP B1144 2.673 0.934 -14.615 1.00 0.00 C ATOM 2085 CG ASP B1144 3.047 2.311 -15.219 1.00 0.00 C ATOM 2086 OD1 ASP B1144 2.136 3.124 -15.525 1.00 0.00 O ATOM 2087 OD2 ASP B1144 4.261 2.614 -15.345 1.00 0.00 O ATOM 2088 OXT ASP B1144 2.765 0.190 -17.422 1.00 0.00 O ATOM 0 H ASP B1144 0.561 -0.864 -13.929 1.00 0.00 H new ATOM 0 HA ASP B1144 0.611 0.857 -15.169 1.00 0.00 H new ATOM 0 HB2 ASP B1144 2.417 1.065 -13.564 1.00 0.00 H new ATOM 0 HB3 ASP B1144 3.545 0.281 -14.652 1.00 0.00 H new